DB00093 Felypressin small molecule experimental 56-59-7 1040.219 C46H65N13O11S2 DB12007 Isoflavone small molecule experimental 574-12-9 222.243 C15H10O2 DB01034 Cerulenin small molecule experimental 17397-89-6 223.272 C12H17NO3 DB01055 Mimosine small molecule experimental 500-44-7 198.176 C8H10N2O4 DB01071 Mequitazine small molecule experimental 29216-28-2 322.467 C20H22N2S DB01094 Hesperetin small molecule experimental 520-33-2 302.2788 C16H14O6 DB00127 Spermine small molecule experimental 71-44-3 202.3402 C10H26N4 DB00147 Pyridoxal small molecule experimental 66-72-8 167.162 C8H9NO3 DB12153 Citicoline small molecule approved 987-78-0 488.324 C14H26N4O11P2 DB12300 P-nitrobiphenyl small molecule approved 92-93-3 199.209 C12H9NO2 DB12728 Fenpropidin small molecule approved 67306-00-7 273.464 C19H31N DB12754 Iodide small molecule approved 20461-54-5 126.9045 I DB12792 Boscalid small molecule approved 188425-85-6 343.207 C18H12Cl2N2O DB12843 Oleandrin small molecule experimental 465-16-7 576.727 C32H48O9 DB12938 Isoxaflutole small molecule approved 141112-29-0 359.32 C15H12F3NO4S DB12945 Dihydralazine small molecule approved 484-23-1 190.21 C8H10N6 DB13116 Norflurane small molecule approved 811-97-2 102.032 C2H2F4 DB13141 Ambroxol acefyllinate small molecule experimental 96989-76-3 616.311 C22H28Br2N6O5 DB13143 Methallenestril small molecule experimental 517-18-0 286.371 C18H22O3 DB01134 Desoxycorticosterone pivalate small molecule experimental 808-48-0 414.586 C26H38O4 DB01207 Ridogrel small molecule experimental 110140-89-1 366.3344 C18H17F3N2O3 DB13153 Levomenol small molecule approved 23089-26-1 222.372 C15H26O DB13157 Sodium lauryl sulfoacetate small molecule approved 1847-58-1 330.41 C14H27NaO5S DB13163 Terpin hydrate small molecule approved 2451-01-6 190.283 C10H22O3 DB13165 Ripasudil small molecule experimental 223645-67-8 323.39 C15H18FN3O2S DB13169 Nandrolone small molecule experimental 434-22-0 274.3978 C18H26O2 DB13171 Glyceryl 1-oleate small molecule experimental 111-03-5 356.5399 C21H40O4 DB13174 Rhein small molecule experimental 478-43-3 284.2204 C15H8O6 DB13175 Rheinanthrone small molecule experimental 480-09-1 270.2369 C15H10O5 DB13177 4-methylumbelliferyl beta-D-glucoside small molecule experimental 18997-57-4 338.3093 C16H18O8 DB13181 Methylbenactyzium small molecule experimental 13473-61-5 342.458 C21H28NO3 DB13182 Daidzein small molecule experimental 486-66-8 254.241 C15H10O4 DB13183 Technetium Tc-99m etifenin small molecule experimental 72950-39-1 739.607 C32H41N4O10Tc DB13185 Oxabolone cipionate small molecule experimental 1254-35-9 414.586 C26H38O4 DB13202 Piprozolin small molecule experimental 17243-64-0 298.4 C14H22N2O3S DB13203 Bamifylline small molecule experimental 2016-63-9 385.468 C20H27N5O3 DB13204 Dimethyl carbate small molecule experimental 39589-98-5 210.229 C11H14O4 DB13205 Teclozan small molecule experimental 5560-78-1 502.25 C20H28Cl4N2O4 DB13206 Bamethan small molecule experimental 3703-79-5 209.289 C12H19NO2 DB13208 Prednylidene small molecule experimental 599-33-7 372.461 C22H28O5 DB13210 Sodium chlorite small molecule experimental 7758-19-2 90.442 ClNaO2 DB13212 Phenolsulfonphthalein small molecule experimental 143-74-8 354.38 C19H14O5S DB13214 Sulfadicramide small molecule experimental 115-68-4 254.3 C11H14N2O3S DB13215 Sulfobromophthalein small molecule experimental 297-83-6 794.03 C20H10Br4O10S2 DB13217 Fentiazac small molecule experimental 18046-21-4 329.8 C17H12ClNO2S DB13220 Ferrous aspartate small molecule experimental 75802-64-1 186.932 C4H5FeNO4 DB13223 Fluocortin small molecule experimental 33124-50-4 390.451 C22H27FO5 DB13224 Piperidione small molecule experimental 77-03-2 169.224 C9H15NO2 DB13226 Acetylleucine small molecule experimental 99-15-0 173.212 C8H15NO3 DB13227 Tribenoside small molecule experimental 10310-32-4 478.585 C29H34O6 DB13229 Enibomal small molecule experimental 125-55-3 303.156 C11H15BrN2O3 DB13230 Gestonorone small molecule experimental 2137-18-0 316.441 C20H28O3 DB13232 Suxibuzone small molecule experimental 27470-51-5 438.473 C24H26N2O6 DB13233 Alaproclate small molecule experimental 60719-82-6 255.74 C13H18ClNO2 DB13234 Propanidid small molecule experimental 1421-14-3 337.416 C18H27NO5 DB13236 Stibophen small molecule experimental 15489-16-4 895.2 C12H18Na5O23S4Sb DB13237 Clofoctol small molecule experimental 37693-01-9 365.34 C21H26Cl2O DB13238 Tuaminoheptane small molecule experimental 123-82-0 115.22 C7H17N DB13239 Neltenexine small molecule experimental 99453-84-6 488.24 C18H20Br2N2O2S DB13240 Cymarin small molecule experimental 508-77-0 548.673 C30H44O9 DB13242 Bucladesine small molecule experimental 362-74-3 469.391 C18H24N5O8P DB13243 Tiazofurine small molecule experimental 60084-10-8 260.267 C9H12N2O5S DB13244 Aminomethylbenzoic acid small molecule experimental 56-91-7 151.1626 C8H9NO2 DB13245 Thiram small molecule approved 137-26-8 240.433 C6H12N2S4 DB13250 Methylmethionine chloride small molecule experimental 1115-84-0 199.69 C6H14ClNO2S DB13251 Octopamine small molecule experimental 104-14-3 153.1784 C8H11NO2 DB13252 Tropatepine small molecule experimental 27574-24-9 333.49 C22H23NS DB13254 Prifinium small molecule experimental 10236-81-4 306.472 C22H28N DB13255 Propatyl nitrate small molecule experimental 2921-92-8 269.166 C6H11N3O9 DB13259 Ethyl chloride small molecule approved 75-00-3 64.514 C2H5Cl DB13261 Sitafloxacin small molecule experimental 163253-35-8 873.68 C38H42Cl2F4N6O9 DB13264 Penimepicycline small molecule experimental 4599-60-4 937.03 C45H56N6O14S DB13266 Cefatrizine small molecule experimental 51627-14-6 462.5 C18H18N6O5S2 DB13272 Meladrazine small molecule experimental 13957-36-3 253.354 C11H23N7 DB13275 Clorindione small molecule experimental 1146-99-2 256.69 C15H9ClO2 DB13276 Idanpramine small molecule experimental 25466-44-8 423.513 C24H29N3O4 DB13280 Aluminium acetoacetate small molecule experimental 19022-77-6 330.225 C12H15AlO9 DB13283 Sulfaisodimidine small molecule experimental 515-64-0 278.33 C12H14N4O2S DB13285 Etilamfetamine small molecule experimental 457-87-4 163.264 C11H17N DB13289 Rimazolium small molecule experimental 35615-72-6 251.305 C13H19N2O3 DB13290 Olaflur small molecule experimental 6818-37-7 498.785 C27H60F2N2O3 DB13291 Cloridarol small molecule experimental 3611-72-1 258.7 C15H11ClO2 DB13294 Azidamfenicol small molecule experimental 13838-08-9 295.255 C11H13N5O5 DB13296 Propamidine small molecule experimental 104-32-5 312.3663 C17H20N4O2 DB13297 Idrocilamide small molecule experimental 6961-46-2 191.23 C11H13NO2 DB13300 Epicillin small molecule experimental 26774-90-3 351.42 C16H21N3O4S DB13303 Febarbamate small molecule experimental 13246-02-1 405.451 C20H27N3O6 DB13304 Triaziquone small molecule experimental 68-76-8 231.255 C12H13N3O2 DB13305 Tolpropamine small molecule experimental 5632-44-0 253.389 C18H23N DB13307 Proscillaridin small molecule experimental 466-06-8 530.658 C30H42O8 DB13308 Oxametacin small molecule experimental 27035-30-9 372.81 C19H17ClN2O4 DB13309 Benproperine small molecule experimental 2156-27-6 309.453 C21H27NO DB13310 Ormeloxifene small molecule experimental 31477-60-8 457.614 C30H35NO3 DB13311 Trepibutone small molecule experimental 41826-92-0 310.346 C16H22O6 DB13313 Melevodopa small molecule experimental 7101-51-1 211.217 C10H13NO4 DB13314 Alminoprofen small molecule experimental 39718-89-3 219.284 C13H17NO2 DB13315 Sobrerol small molecule experimental 42370-41-2 170.252 C10H18O2 DB13316 Ibopamine small molecule experimental 66195-31-1 307.3847 C17H25NO4 DB13317 Flunoxaprofen small molecule experimental 66934-18-7 285.274 C16H12FNO3 DB13318 Demecolcine small molecule experimental 477-30-5 371.433 C21H25NO5 DB13319 Propenidazole small molecule experimental 76448-31-2 267.241 C11H13N3O5 DB13320 Sulfaperin small molecule experimental 599-88-2 264.3 C11H12N4O2S DB13321 Methiodal small molecule experimental 143-47-5 222.0 CH3IO3S DB13322 Hydrotalcite small molecule approved 12304-65-3 619.973 CH24Al2Mg6O24 DB13324 Tetrazepam small molecule experimental 10379-14-3 288.772 C16H17ClN2O DB13325 Nifurzide small molecule experimental 39978-42-2 336.28 C12H8N4O6S DB13326 Euflavine small molecule experimental 86-40-8 259.74 C14H14ClN3 DB13327 Picotamide small molecule experimental 32828-81-2 376.416 C21H20N4O3 DB13328 Butanilicaine small molecule experimental 3785-21-5 254.76 C13H19ClN2O DB13329 Guaiazulen small molecule experimental 489-84-9 198.3034 C15H18 DB13330 Amezinium metilsulfate small molecule experimental 30578-37-1 313.33 C12H15N3O5S DB13331 Pyrithyldione small molecule experimental 77-04-3 167.208 C9H13NO2 DB13332 Dibutylsuccinate small molecule experimental 141-03-7 230.304 C12H22O4 DB13333 Efloxate small molecule experimental 119-41-5 324.332 C19H16O5 DB13334 Mannosulfan small molecule experimental 7518-35-6 494.51 C10H22O14S4 DB13335 Pinazepam small molecule experimental 52463-83-9 308.762 C18H13ClN2O DB13336 Dimethylphthalate small molecule experimental 131-11-3 194.184 C10H10O4 DB13338 Flurithromycin small molecule experimental 82664-20-8 751.927 C37H66FNO13 DB13339 Etoglucid small molecule experimental 1954-28-5 262.302 C12H22O6 DB13340 Suloctidil small molecule experimental 54767-75-8 337.57 C20H35NOS DB13341 Fenozolone small molecule experimental 15302-16-6 204.229 C11H12N2O2 DB13342 Cinepazet small molecule experimental 23887-41-4 392.452 C20H28N2O6 DB13343 Tioxolone small molecule experimental 4991-65-5 168.17 C7H4O3S DB13344 Mercuric amidochloride small molecule experimental 10124-48-8 252.06 ClH2HgN DB13345 Dihydroergocristine small molecule approved 17479-19-5 611.743 C35H41N5O5 DB13347 Diphenadione small molecule experimental 82-66-6 340.378 C23H16O3 DB13348 Tiadenol small molecule experimental 6964-20-1 294.51 C14H30O2S2 DB13349 Talastine small molecule experimental 16188-61-7 307.397 C19H21N3O DB13350 Azanidazole small molecule experimental 62973-76-6 246.23 C10H10N6O2 DB13351 Piperidolate small molecule experimental 82-98-4 323.436 C21H25NO2 DB13352 Deanol small molecule experimental 108-01-0 89.1362 C4H11NO DB13353 Viminol small molecule experimental 21363-18-8 362.94 C21H31ClN2O DB13354 Phenprobamate small molecule experimental 673-31-4 179.219 C10H13NO2 DB13355 Visnadine small molecule experimental 477-32-7 388.416 C21H24O7 DB13356 Mesulfen small molecule experimental 135-58-0 244.37 C14H12S2 DB13357 Styramate small molecule experimental 94-35-9 181.191 C9H11NO3 DB13358 Cibenzoline small molecule experimental 53267-01-9 262.356 C18H18N2 DB13360 Tolciclate small molecule experimental 50838-36-3 323.45 C20H21NOS DB13361 Trimethyldiphenylpropylamine small molecule experimental 13957-55-6 253.389 C18H23N DB13362 Pheneturide small molecule experimental 90-49-3 206.245 C11H14N2O2 DB13363 Oxaceprol small molecule experimental 33996-33-7 173.168 C7H11NO4 DB13364 Feprazone small molecule experimental 30748-29-9 320.392 C20H20N2O2 DB13366 Hydrochloric acid small molecule experimental 7647-01-0 36.461 ClH DB13367 Cloricromen small molecule experimental 68206-94-0 395.88 C20H26ClNO5 DB13368 Motretinide small molecule experimental 56281-36-8 353.506 C23H31NO2 DB13369 Benzilone small molecule experimental 16175-92-1 354.469 C22H28NO3 DB13370 Bromisoval small molecule experimental 496-67-3 223.07 C6H11BrN2O2 DB13371 Difenpiramide small molecule experimental 51484-40-3 288.35 C19H16N2O DB13374 Vincamine small molecule experimental 1617-90-9 354.45 C21H26N2O3 DB13376 Succinimide small molecule experimental 123-56-8 99.089 C4H5NO2 DB13377 Vinbarbital small molecule experimental 125-42-8 224.26 C11H16N2O3 DB13378 Norfenefrine small molecule experimental 536-21-0 153.181 C8H11NO2 DB13379 Chiniofon small molecule experimental 8002-90-2 435.12 C10H7INNaO7S DB13380 Difemerine small molecule experimental 80387-96-8 327.424 C20H25NO3 DB13382 Chlorproethazine small molecule experimental 84-01-5 346.92 C19H23ClN2S DB13383 Diiodohydroxypropane small molecule experimental 534-08-7 311.889 C3H6I2O DB13384 Melitracen small molecule experimental 5118-29-6 291.438 C21H25N DB13386 Epimestrol small molecule experimental 7004-98-0 302.414 C19H26O3 DB13387 Hematin small molecule experimental 15489-90-4 633.506 C34H33FeN4O5 DB13388 Phenylmercuric nitrate small molecule experimental 55-68-5 339.7 C6H5HgNO3 DB13389 Iopydol small molecule experimental 5579-92-0 420.973 C8H9I2NO3 DB13391 Levoverbenone small molecule experimental 1196-01-6 150.221 C10H14O DB13392 Merbromin small molecule experimental 129-16-8 750.65 C20H8Br2HgNa2O6 DB13393 Emetine small molecule experimental 483-18-1 480.649 C29H40N2O4 DB13394 Adrenalone small molecule experimental 99-45-6 181.191 C9H11NO3 DB13395 Eprozinol small molecule experimental 32665-36-4 354.494 C22H30N2O2 DB13396 Neocitrullamon small molecule experimental 38964-88-4 367.405 C20H21N3O4 DB13397 Prenoxdiazine small molecule experimental 47543-65-7 361.489 C23H27N3O DB13398 Oxyfedrine small molecule experimental 15687-41-9 313.397 C19H23NO3 DB13399 Terguride small molecule experimental 37686-84-3 340.471 C20H28N4O DB13400 Linsidomine small molecule experimental 33876-97-0 170.172 C6H10N4O2 DB13401 Metildigoxin small molecule experimental 30685-43-9 794.976 C42H66O14 DB13402 Acetylglycinamide chloral hydrate small molecule experimental 17427-14-4 282.5 C6H10Cl3NO5 DB13403 Oxypertine small molecule experimental 153-87-7 379.504 C23H29N3O2 DB13404 Edetate sodium small molecule experimental 64-02-8 380.17 C10H12N2Na4O8 DB13405 Mefruside small molecule experimental 7195-27-9 382.87 C13H19ClN2O5S2 DB13406 Carbutamide small molecule experimental 339-43-5 271.34 C11H17N3O3S DB13407 Nifenazone small molecule experimental 2139-47-1 308.341 C17H16N4O2 DB13408 Methylpropylpropanediol dinitrate small molecule experimental 10605-24-0 222.197 C7H14N2O6 DB13409 Rokitamycin small molecule experimental 74014-51-0 828.006 C42H69NO15 DB13410 Guanoxabenz small molecule experimental 24047-25-4 247.08 C8H8Cl2N4O DB13411 Lofepramine small molecule experimental 23047-25-8 418.97 C26H27ClN2O DB13412 Pirisudanol small molecule experimental 33605-94-6 340.376 C16H24N2O6 DB13413 Phenglutarimide small molecule experimental 1156-05-4 288.391 C17H24N2O2 DB13414 Fenyramidol small molecule experimental 553-69-5 214.268 C13H14N2O DB13415 Pentetrazol small molecule experimental 54-95-5 138.174 C6H10N4 DB13416 Sulbutiamine small molecule experimental 3286-46-2 702.89 C32H46N8O6S2 DB13417 Morinamide small molecule experimental 952-54-5 222.248 C10H14N4O2 DB13418 Moxestrol small molecule experimental 34816-55-2 326.436 C21H26O3 DB13419 Troxipide small molecule experimental 30751-05-4 294.351 C15H22N2O4 DB13420 Thiazinam small molecule experimental 2338-21-8 299.46 C18H23N2S DB13422 Nicofuranose small molecule experimental 15351-13-0 600.54 C30H24N4O10 DB13423 Ferric hydroxide small molecule experimental 1309-33-7 106.866 FeH3O3 DB13424 Clofenotane small molecule experimental 50-29-3 354.486 C14H9Cl5 DB13425 Flutrimazole small molecule experimental 119006-77-8 346.381 C22H16F2N2 DB13427 Gold Au-198 small molecule experimental 10043-49-9 197.9682 Au DB13428 Iobenzamic acid small molecule experimental 3115-05-7 662.004 C16H13I3N2O3 DB13429 Tolonidine small molecule experimental 4201-22-3 209.68 C10H12ClN3 DB13430 Mebutizide small molecule experimental 3568-00-1 381.89 C13H20ClN3O4S2 DB13431 Proglumide small molecule experimental 6620-60-6 334.416 C18H26N2O4 DB13432 Lonazolac small molecule experimental 53808-88-1 312.75 C17H13ClN2O2 DB13433 Simfibrate small molecule experimental 14929-11-4 469.36 C23H26Cl2O6 DB13434 Fenticonazole small molecule experimental 72479-26-6 455.4 C24H20Cl2N2OS DB13435 Endralazine small molecule experimental 39715-02-1 269.308 C14H15N5O DB13436 Droxypropine small molecule experimental 15599-26-5 305.418 C18H27NO3 DB13437 Medazepam small molecule experimental 2898-12-6 270.757 C16H15ClN2 DB13438 Prolintane small molecule experimental 493-92-5 217.3498 C15H23N DB13439 Fenpiprane small molecule experimental 3540-95-2 279.427 C20H25N DB13441 Niceritrol small molecule experimental 5868-05-3 556.531 C29H24N4O8 DB13442 Citiolone small molecule experimental 1195-16-0 159.2 C6H9NO2S DB13443 Esatenolol small molecule experimental 93379-54-5 266.341 C14H22N2O3 DB13445 Nepinalone small molecule experimental 22443-11-4 271.404 C18H25NO DB13448 Mazaticol small molecule experimental 42024-98-6 405.57 C21H27NO3S2 DB13449 Proxyphylline small molecule experimental 603-00-9 238.247 C10H14N4O3 DB13451 Tioclomarol small molecule experimental 22619-35-8 447.33 C22H16Cl2O4S DB13452 Cadralazine small molecule experimental 64241-34-5 283.3268 C12H21N5O3 DB13453 Xenon small molecule experimental 7440-63-3 131.293 Xe DB13454 Nicomorphine small molecule experimental 639-48-5 495.535 C29H25N3O5 DB13455 Phenibut small molecule experimental 1078-21-3 179.219 C10H13NO2 DB13456 Midecamycin small molecule experimental 35457-80-8 813.979 C41H67NO15 DB13457 Oxaflozane small molecule experimental 26629-87-8 273.299 C14H18F3NO DB13458 Thebacon small molecule experimental 466-90-0 341.407 C20H23NO4 DB13459 Pecilocin small molecule experimental 19504-77-9 291.391 C17H25NO3 DB13460 Ronifibrate small molecule experimental 42597-57-9 377.82 C19H20ClNO5 DB13461 Cefcapene small molecule experimental 135889-00-8 453.49 C17H19N5O6S2 DB13462 Bephenium small molecule experimental 7181-73-9 256.368 C17H22NO DB13463 Oxetorone small molecule experimental 26020-55-3 319.404 C21H21NO2 DB13464 Ornipressin small molecule experimental 3397-23-7 1042.2 C45H63N13O12S2 DB13465 Ciclobendazole small molecule experimental 31431-43-3 259.265 C13H13N3O3 DB13466 Deptropine small molecule experimental 604-51-3 333.475 C23H27NO DB13467 Lanatoside C small molecule experimental 17575-22-3 985.127 C49H76O20 DB13468 Etybenzatropine small molecule experimental 524-83-4 321.464 C22H27NO DB13469 Phanquinone small molecule experimental 84-12-8 210.192 C12H6N2O2 DB13470 Cefodizime small molecule experimental 69739-16-8 584.669 C20H20N6O7S4 DB13471 Nalfurafine small molecule experimental 152657-84-6 476.573 C28H32N2O5 DB13472 Cyclofenil small molecule experimental 2624-43-3 364.441 C23H24O4 DB13473 Antimony pentasulfide small molecule experimental 1315-04-4 403.82 S5Sb2 DB13474 Tipepidine small molecule experimental 5169-78-8 275.43 C15H17NS2 DB13475 Furazidin small molecule experimental 1672-88-4 264.197 C10H8N4O5 DB13476 Diisopromine small molecule experimental 5966-41-6 295.47 C21H29N DB13478 Meptazinol small molecule experimental 54340-58-8 233.355 C15H23NO DB13479 Histapyrrodine small molecule experimental 493-80-1 280.415 C19H24N2 DB13481 Tenidap small molecule experimental 120210-48-2 320.75 C14H9ClN2O3S DB13482 Dimefline small molecule experimental 1165-48-6 323.392 C20H21NO3 DB13483 Etamsylate small molecule experimental 2624-44-4 263.31 C10H17NO5S DB13484 Quinbolone small molecule experimental 2487-63-0 352.518 C24H32O2 DB13485 Sulfametomidine small molecule experimental 3772-76-7 294.33 C12H14N4O3S DB13486 Magnesium peroxide small molecule experimental 14452-57-4 56.303 MgO2 DB13487 Iodine (131I) norcholesterol small molecule experimental 56897-09-7 516.562 C27H45IO DB13488 Bencyclane small molecule experimental 2179-37-5 289.463 C19H31NO DB13489 Bamipine small molecule experimental 4945-47-5 280.415 C19H24N2 DB13490 Hidrosmin small molecule experimental 115960-14-0 652.602 C30H36O16 DB13491 Fluperolone small molecule experimental 3841-11-0 392.467 C22H29FO5 DB13493 Cyclobutyrol small molecule experimental 512-16-3 186.251 C10H18O3 DB13494 Dimetofrine small molecule experimental 22950-29-4 227.26 C11H17NO4 DB13495 Paraoxon small molecule experimental 311-45-5 275.195 C10H14NO6P DB13496 Iprindole small molecule experimental 5560-72-5 284.447 C19H28N2 DB13497 Valethamate small molecule experimental 16376-74-2 306.469 C19H32NO2 DB13499 Cefsulodin small molecule experimental 62587-73-9 532.54 C22H20N4O8S2 DB13500 Otilonium small molecule experimental 105360-89-2 483.672 C29H43N2O4 DB13502 Budipine small molecule experimental 57982-78-2 293.454 C21H27N DB13504 Cefetamet small molecule experimental 65052-63-3 397.42 C14H15N5O5S2 DB13505 Emepronium small molecule experimental 27892-33-7 282.45 C20H28N DB13506 Carfecillin small molecule experimental 27025-49-6 454.5 C23H22N2O6S DB13507 Poldine small molecule experimental 596-50-9 340.442 C21H26NO3 DB13508 Cloranolol small molecule experimental 39563-28-5 292.2 C13H19Cl2NO2 DB13509 Aloxiprin small molecule experimental 9014-67-9 282.119 C9H8Al2O7 DB13510 Buflomedil small molecule experimental 55837-25-7 307.39 C17H25NO4 DB13511 Clebopride small molecule experimental 55905-53-8 373.88 C20H24ClN3O2 DB13512 Clefamide small molecule experimental 3576-64-5 399.22 C17H16Cl2N2O5 DB13513 Tribromometacresol small molecule experimental 4619-74-3 344.828 C7H5Br3O DB13514 Pranoprofen small molecule experimental 52549-17-4 255.2686 C15H13NO3 DB13515 Levomethadone small molecule experimental 125-58-6 309.453 C21H27NO DB13516 Clodantoin small molecule experimental 5588-20-5 347.68 C11H17Cl3N2O2S DB13517 Angiotensinamide small molecule experimental 53-73-6 1031.186 C49H70N14O11 DB13519 Cerium oxalate small molecule experimental 139-42-4 544.286 C6Ce2O12 DB13522 Mebicar small molecule experimental 10095-06-4 198.226 C8H14N4O2 DB13523 Veralipride small molecule experimental 66644-81-3 383.46 C17H25N3O5S DB13524 Propyphenazone small molecule experimental 479-92-5 230.311 C14H18N2O DB13526 Pentaerithrityl small molecule experimental 115-77-5 136.147 C5H12O4 DB13527 Proglumetacin small molecule experimental 57132-53-3 844.45 C46H58ClN5O8 DB13528 Chlormadinone small molecule experimental 1961-77-9 362.89 C21H27ClO3 DB13529 Dobesilic acid small molecule experimental 88-46-0 190.174 C6H6O5S DB13530 Mepindolol small molecule experimental 23694-81-7 262.353 C15H22N2O2 DB13531 Nicofetamide small molecule experimental 553-06-0 302.377 C20H18N2O DB13533 Methylestrenolone small molecule experimental 514-61-4 288.431 C19H28O2 DB13534 Gedocarnil small molecule experimental 109623-97-4 424.88 C23H21ClN2O4 DB13536 Broxyquinoline small molecule experimental 521-74-4 302.95 C9H5Br2NO DB13537 Gitoformate small molecule experimental 10176-39-3 920.999 C46H64O19 DB13538 Guacetisal small molecule experimental 55482-89-8 286.283 C16H14O5 DB13539 Iodoxamic acid small molecule experimental 31127-82-9 1287.925 C26H26I6N2O10 DB13540 Isepamicin small molecule experimental 58152-03-7 569.6031 C22H43N5O12 DB13541 Iprazochrome small molecule experimental 7248-21-7 264.285 C12H16N4O3 DB13542 Bevonium small molecule experimental 33371-53-8 354.469 C22H28NO3 DB13543 Mitobronitol small molecule experimental 488-41-5 307.966 C6H12Br2O4 DB13544 Ethenzamide small molecule experimental 938-73-8 165.192 C9H11NO2 DB13545 Isobromindione small molecule experimental 1470-35-5 301.139 C15H9BrO2 DB13546 Nizofenone small molecule experimental 54533-85-6 412.87 C21H21ClN4O3 DB13547 Sulfatolamide small molecule experimental 1161-88-2 417.52 C14H19N5O4S3 DB13548 Dibrompropamidine small molecule experimental 496-00-4 470.158 C17H18Br2N4O2 DB13549 4-dimethylaminophenol small molecule experimental 619-60-3 137.182 C8H11NO DB13550 Bifemelane small molecule experimental 90293-01-9 269.388 C18H23NO DB13551 Cinchophen small molecule experimental 132-60-5 249.269 C16H11NO2 DB13552 Trifluperidol small molecule experimental 749-13-3 409.425 C22H23F4NO2 DB13553 Carumonam small molecule experimental 87638-04-8 466.4 C12H14N6O10S2 DB13554 Moperone small molecule experimental 1050-79-9 355.453 C22H26FNO2 DB13555 Prajmaline small molecule experimental 35080-11-6 369.528 C23H33N2O2 DB13556 Sulfamazone small molecule experimental 65761-24-2 560.6 C23H24N6O7S2 DB13557 Thiopropazate small molecule experimental 84-06-0 446.01 C23H28ClN3O2S DB13558 Morclofone small molecule experimental 31848-01-8 405.88 C21H24ClNO5 DB13559 Rimiterol small molecule experimental 32953-89-2 223.272 C12H17NO3 DB13561 Clobenzorex small molecule experimental 13364-32-4 259.78 C16H18ClN DB13563 Norgestrienone small molecule experimental 848-21-5 294.394 C20H22O2 DB13564 Zipeprol small molecule experimental 34758-83-3 384.52 C23H32N2O3 DB13565 Benzoxonium small molecule experimental 23884-64-2 364.593 C23H42NO2 DB13566 Sequifenadine small molecule experimental 57734-69-7 321.464 C22H27NO DB13567 Desaspidin small molecule experimental 114-43-2 446.496 C24H30O8 DB13568 Diodone small molecule experimental 300-37-8 510.067 C11H16I2N2O5 DB13569 Ferrous chloride small molecule experimental 7758-94-3 126.75 Cl2Fe DB13571 Pentamycin small molecule experimental 6834-98-6 670.837 C35H58O12 DB13572 Emylcamate small molecule experimental 78-28-4 145.202 C7H15NO2 DB13573 Acefylline small molecule experimental 652-37-9 238.203 C9H10N4O4 DB13574 Heptaminol small molecule experimental 372-66-7 145.246 C8H19NO DB13575 Bietaserpine small molecule experimental 53-18-9 707.865 C39H53N3O9 DB13576 Aluminium nicotinate small molecule experimental 1976-28-9 393.291 C18H12AlN3O6 DB13577 Allobarbital small molecule experimental 52-43-7 208.217 C10H12N2O3 DB13578 Metabutethamine small molecule experimental 4439-25-2 236.315 C13H20N2O2 DB13579 Mepixanox small molecule experimental 17854-59-0 323.392 C20H21NO3 DB13580 Succinylsulfathiazole small molecule experimental 116-43-8 355.38 C13H13N3O5S2 DB13581 Rociverine small molecule experimental 53716-44-2 339.52 C20H37NO3 DB13582 Ferric (59Fe) citrate small molecule experimental 54063-42-2 248.034 C6H5FeO7 DB13584 Gallamine small molecule experimental 153-76-4 423.642 C24H45N3O3 DB13585 Aminoethyl nitrate small molecule experimental 646-02-6 106.081 C2H6N2O3 DB13586 Metandienone small molecule experimental 72-63-9 300.4351 C20H28O2 DB13587 Mesterolone small molecule experimental 1424-00-6 304.4669 C20H32O2 DB13588 Naftidrofuryl small molecule experimental 31329-57-4 383.5237 C24H33NO3 DB13590 Calcium pangamate small molecule experimental 20310-61-6 600.584 C20H36CaN2O16 DB13591 Metopimazine small molecule experimental 14008-44-7 445.6 C22H27N3O3S2 DB13592 Etamiphylline small molecule experimental 314-35-2 279.3381 C13H21N5O2 DB13593 Zolimidine small molecule experimental 1222-57-7 272.32 C14H12N2O2S DB13595 Almasilate small molecule approved 71205-22-6 280.445 Al2H2MgO9Si2 DB13596 Oxycinchophen small molecule experimental 485-89-2 265.2634 C16H11NO3 DB13597 Moroxydine small molecule experimental 3731-59-7 171.204 C6H13N5O DB13598 Diethyl ether small molecule experimental 60-29-7 74.1216 C4H10O DB13599 Difetarsone small molecule experimental 3639-19-8 460.149 C14H18As2N2O6 DB13600 Deltamethrin small molecule experimental 52918-63-5 505.199 C22H19Br2NO3 DB13601 Oxiracetam small molecule experimental 62613-82-5 158.157 C6H10N2O3 DB13602 Promegestone small molecule experimental 34184-77-5 326.48 C22H30O2 DB13603 Pyrrolnitrin small molecule experimental 1018-71-9 257.07 C10H6Cl2N2O2 DB13604 Guanazodine small molecule experimental 32059-15-7 184.287 C9H20N4 DB13605 Phenoperidine small molecule experimental 562-26-5 367.489 C23H29NO3 DB13606 Phenazocine small molecule experimental 58073-76-0 321.464 C22H27NO DB13607 Picloxydine small molecule experimental 5636-92-0 475.38 C20H24Cl2N10 DB13608 Tiocarlide small molecule experimental 910-86-1 400.58 C23H32N2O2S DB13610 Flumedroxone small molecule experimental 15687-21-5 398.466 C22H29F3O3 DB13611 Chlormidazole small molecule experimental 3689-76-7 256.73 C15H13ClN2 DB13612 Carbaspirin calcium small molecule experimental 5749-67-7 458.436 C19H18CaN2O9 DB13613 Ticlatone small molecule experimental 70-10-0 185.63 C7H4ClNOS DB13614 Metizoline small molecule experimental 17692-22-7 230.33 C13H14N2S DB13615 Mifamurtide small molecule approved 838853-48-8 1277.515 C59H110N6NaO20P DB13616 Melagatran small molecule experimental 159776-70-2 429.5126 C22H31N5O4 DB13617 Clorexolone small molecule experimental 2127-01-7 328.81 C14H17ClN2O3S DB13618 Ipriflavone small molecule experimental 35212-22-7 280.3178 C18H16O3 DB13619 Bornaprine small molecule experimental 20448-86-6 329.484 C21H31NO2 DB13621 Tetragalacturonic acid hydroxymethylester small molecule experimental 53008-15-4 842.615 C28H42O29 DB13622 Selenium (75Se) norcholesterol small molecule experimental 63795-61-9 475.614 C28H48OSe DB13623 Fabomotizole small molecule experimental 173352-21-1 307.41 C15H21N3O2S DB13625 Carbuterol small molecule experimental 34866-47-2 267.329 C13H21N3O3 DB13626 Aluminium glycinate small molecule experimental 41354-48-7 153.07 C2H8AlNO5 DB13627 Oxolinic acid small molecule experimental 14698-29-4 261.2301 C13H11NO5 DB13628 Ethyl hydroxybenzoate small molecule approved 120-47-8 166.1739 C9H10O3 DB13629 Mofebutazone small molecule experimental 2210-63-1 232.283 C13H16N2O2 DB13630 Bibenzonium small molecule experimental 59866-76-1 284.422 C19H26NO DB13631 Methoserpidine small molecule experimental 865-04-3 608.688 C33H40N2O9 DB13632 Protiofate small molecule experimental 58416-00-5 288.31 C12H16O6S DB13634 Pentifylline small molecule experimental 1028-33-7 264.329 C13H20N4O2 DB13635 Tiracizine small molecule experimental 83275-56-3 367.449 C21H25N3O3 DB13636 Etanautine small molecule experimental 857401-00-4 493.564 C26H31N5O5 DB13637 Tenitramine small molecule experimental 21946-79-2 416.3 C10H20N6O12 DB13638 Cefbuperazone small molecule experimental 76610-84-9 627.65 C22H29N9O9S2 DB13639 Ferrous tartrate small molecule experimental 2944-65-2 203.915 C4H4FeO6 DB13640 Acetoxolone small molecule experimental 6277-14-1 512.731 C32H48O5 DB13641 Metisazone small molecule experimental 1910-68-5 234.28 C10H10N4OS DB13642 Pridinol small molecule experimental 511-45-5 295.426 C20H25NO DB13643 Loprazolam small molecule experimental 61197-73-7 464.904 C23H21ClN6O3 DB13644 Methylthiouracil small molecule experimental 56-04-2 142.18 C5H6N2OS DB13645 Ethacizine small molecule experimental 33414-33-4 413.54 C22H27N3O3S DB13648 Alcuronium small molecule experimental 23214-96-2 666.909 C44H50N4O2 DB13649 Proquazone small molecule experimental 22760-18-5 278.355 C18H18N2O DB13650 Aloglutamol small molecule experimental 13755-41-4 377.2786 C10H24AlNO12 DB13651 Lorajmine small molecule experimental 47562-08-3 402.92 C22H27ClN2O3 DB13652 Bunaftine small molecule experimental 32421-46-8 326.484 C21H30N2O DB13653 Lorcainide small molecule experimental 59729-31-6 370.916 C22H27ClN2O DB13654 Montmorillonite small molecule experimental 1318-93-0 360.307 Al2H2O12Si4 DB13655 Nikethamide small molecule experimental 59-26-7 178.235 C10H14N2O DB13656 Eberconazole small molecule experimental 128326-82-9 329.22 C18H14Cl2N2 DB13659 Tenonitrozole small molecule experimental 3810-35-3 255.27 C8H5N3O3S2 DB13660 Propicillin small molecule experimental 551-27-9 378.44 C18H22N2O5S DB13661 Niridazole small molecule experimental 61-57-4 214.2 C6H6N4O3S DB13662 Hexapropymate small molecule experimental 358-52-1 181.235 C10H15NO2 DB13663 Clofenamide small molecule experimental 671-95-4 270.7 C6H7ClN2O4S2 DB13664 Formocortal small molecule experimental 2825-60-7 569.06 C29H38ClFO8 DB13665 Fluanisone small molecule experimental 1480-19-9 356.441 C21H25FN2O2 DB13666 Tiemonium iodide small molecule experimental 144-12-7 445.36 C18H24INO2S DB13667 Cefozopran small molecule experimental 113359-04-9 515.52 C19H17N9O5S2 DB13668 Ipidacrine small molecule experimental 62732-44-9 188.274 C12H16N2 DB13669 Morpholine small molecule experimental 110-91-8 87.1204 C4H9NO DB13670 Oxantel small molecule experimental 36531-26-7 216.284 C13H16N2O DB13671 Sulbentine small molecule experimental 350-12-9 314.47 C17H18N2S2 DB13672 Dimethylaminopropionylphenothiazine small molecule experimental 63834-04-8 298.4 C17H18N2OS DB13673 Bekanamycin small molecule experimental 4696-76-8 483.5139 C18H37N5O10 DB13674 Cridanimod small molecule experimental 38609-97-1 253.2527 C15H11NO3 DB13675 Metahexamide small molecule experimental 565-33-3 311.4 C14H21N3O3S DB13676 Mosapramine small molecule experimental 89419-40-9 479.07 C28H35ClN4O DB13677 Carboquone small molecule experimental 24279-91-2 321.333 C15H19N3O5 DB13678 Dihexyverine small molecule experimental 561-77-3 321.505 C20H35NO2 DB13679 Dexchlorpheniramine small molecule experimental 25523-97-1 274.79 C16H19ClN2 DB13681 Butalamine small molecule experimental 22131-35-7 316.449 C18H28N4O DB13683 Quinisocaine small molecule experimental 86-80-6 272.392 C17H24N2O DB13684 Omoconazole small molecule experimental 74512-12-2 423.72 C20H17Cl3N2O2 DB13685 Quingestanol small molecule experimental 10592-65-1 366.545 C25H34O2 DB13686 Clometocillin small molecule experimental 1926-49-4 433.3 C17H18Cl2N2O5S DB13687 Niaprazine small molecule experimental 27367-90-4 356.445 C20H25FN4O DB13689 Tacalcitol small molecule experimental 57333-96-7 416.646 C27H44O3 DB13690 Vinyl ether small molecule experimental 109-93-3 70.091 C4H6O DB13691 Acetyldigoxin small molecule experimental 5511-98-8 822.986 C43H66O15 DB13692 Tretoquinol small molecule experimental 30418-38-3 345.395 C19H23NO5 DB13693 Sulbenicillin small molecule experimental 41744-40-5 414.45 C16H18N2O7S2 DB13694 Distigmine small molecule experimental 17299-00-2 416.521 C22H32N4O4 DB13695 Penthienate small molecule experimental 22064-27-3 340.5 C18H30NO3S DB13696 Bromochlorosalicylanilide small molecule experimental 3679-64-9 326.57 C13H9BrClNO2 DB13697 Ambazone small molecule experimental 539-21-9 237.29 C8H11N7S DB13698 Ferrous carbonate small molecule experimental 563-71-3 115.854 CFeO3 DB13699 Sulfathiourea small molecule experimental 515-49-1 231.29 C7H9N3O2S2 DB13701 Ioglicic acid small molecule experimental 49755-67-1 670.968 C13H12I3N3O5 DB13702 Tibezonium iodide small molecule experimental 54663-47-7 601.61 C28H32IN3S2 DB13703 Gepefrine small molecule experimental 18840-47-6 151.209 C9H13NO DB13705 Decamethoxine small molecule experimental 38146-42-8 693.92 C38H74Cl2N2O4 DB13706 Eosin small molecule experimental 17372-87-1 691.859 C20H6Br4Na2O5 DB13708 Fenquizone small molecule experimental 20287-37-0 337.78 C14H12ClN3O3S DB13709 Ciclonicate small molecule experimental 53449-58-4 247.338 C15H21NO2 DB13710 Metenolone small molecule experimental 153-00-4 302.451 C20H30O2 DB13712 Dixanthogen small molecule experimental 502-55-6 242.38 C6H10O2S4 DB13713 Quifenadine small molecule experimental 10447-39-9 293.41 C20H23NO DB13714 Xibornol small molecule experimental 13741-18-9 258.405 C18H26O DB13715 Dilazep small molecule experimental 35898-87-4 604.697 C31H44N2O10 DB13716 Dibutylphthalate small molecule experimental 84-74-2 278.3435 C16H22O4 DB13717 Phenothrin small molecule experimental 26002-80-2 350.4507 C23H26O3 DB13718 Hydroquinine small molecule experimental 522-66-7 326.44 C20H26N2O2 DB13719 Trolnitrate small molecule experimental 7077-34-1 284.181 C6H12N4O9 DB13721 Cypermethrin small molecule experimental 52315-07-8 416.297 C22H19Cl2NO3 DB13722 Pirprofen small molecule experimental 31793-07-4 251.71 C13H14ClNO2 DB13723 Meldonium small molecule experimental 76144-81-5 146.19 C6H14N2O2 DB13724 Nifuratel small molecule experimental 4936-47-4 285.27 C10H11N3O5S DB13725 Terodiline small molecule experimental 15793-40-5 281.443 C20H27N DB13726 Sulfaguanidine small molecule experimental 57-67-0 214.24 C7H10N4O2S DB13727 Azapetine small molecule experimental 146-36-1 235.33 C17H17N DB13728 Halometasone small molecule experimental 50629-82-8 444.9 C22H27ClF2O5 DB13729 Camostat small molecule experimental 59721-28-7 398.4125 C20H22N4O5 DB13730 Nifurtoinol small molecule experimental 1088-92-2 268.185 C9H8N4O6 DB13731 Butamirate small molecule experimental 18109-80-3 307.434 C18H29NO3 DB13732 Meglumine antimoniate small molecule experimental 133-51-7 365.98 C7H18NO8Sb DB13733 Methylpentynol small molecule experimental 77-75-8 98.145 C6H10O DB13736 Fenoxazoline small molecule experimental 4846-91-7 218.3 C13H18N2O DB13737 Cyclobarbital small molecule experimental 52-31-3 236.271 C12H16N2O3 DB13738 Camylofin small molecule experimental 54-30-8 320.477 C19H32N2O2 DB13739 Penamecillin small molecule experimental 983-85-7 406.45 C19H22N2O6S DB13740 Bemegride small molecule experimental 64-65-3 155.197 C8H13NO2 DB13741 Ioglycamic acid small molecule experimental 2618-25-9 1127.712 C18H10I6N2O7 DB13743 Sodium aurotiosulfate small molecule approved 33614-49-2 526.2 AuH4Na3O8S4 DB13744 Piromidic acid small molecule experimental 19562-30-2 288.307 C14H16N4O3 DB13745 Fazadinium bromide small molecule experimental 49564-56-9 604.35 C28H24Br2N6 DB13748 Tidiacic arginine small molecule experimental 30986-62-0 351.38 C11H21N5O6S DB13750 Obidoxime small molecule experimental 7683-36-5 288.3018 C14H16N4O3 DB13751 Glycyrrhizic acid small molecule approved 1405-86-3 822.942 C42H62O16 DB13752 Tetramethrin small molecule experimental 7696-12-0 331.4061 C19H25NO4 DB13753 Cetiedil small molecule experimental 14176-10-4 349.53 C20H31NO2S DB13754 Mephenoxalone small molecule experimental 70-07-5 223.228 C11H13NO4 DB13755 Iocarmic acid small molecule experimental 10397-75-8 1253.871 C24H20I6N4O8 DB13756 Peruvoside small molecule experimental 1182-87-2 548.673 C30H44O9 DB13757 Epanolol small molecule experimental 86880-51-5 369.421 C20H23N3O4 DB13758 Meclofenoxate small molecule experimental 51-68-3 257.71 C12H16ClNO3 DB13759 Fenpiverinium small molecule experimental 258329-46-3 337.486 C22H29N2O DB13760 Niperotidine small molecule experimental 84845-75-0 434.51 C20H26N4O5S DB13762 Dexrabeprazole small molecule experimental 177795-60-7 359.443 C18H21N3O3S DB13763 Aurotioprol small molecule experimental 27279-43-2 390.15 C3H6AuNaO4S2 DB13764 Monoxerutin small molecule experimental 23869-24-1 654.574 C29H34O17 DB13765 Mercuric chloride small molecule experimental 7487-94-7 271.5 Cl2Hg DB13766 Lidoflazine small molecule approved 3416-26-0 491.627 C30H35F2N3O DB13767 Vorozole small molecule experimental 129731-10-8 324.77 C16H13ClN6 DB13768 Domiodol small molecule experimental 61869-07-6 244.028 C5H9IO3 DB13769 Emetonium iodide small molecule experimental 5982-52-5 425.354 C20H28INO DB13770 Vinylbital small molecule experimental 2430-49-1 224.26 C11H16N2O3 DB13771 Ferric sodium citrate small molecule experimental 52031-09-1 266.926 C6H4FeNaO7 DB13772 Rufloxacin small molecule experimental 101363-10-4 363.407 C17H18FN3O3S DB13773 Sulfamethoxypyridazine small molecule experimental 80-35-3 280.3 C11H12N4O3S DB13774 Myristalkonium small molecule experimental 16287-71-1 332.595 C23H42N DB13775 Tertatolol small molecule experimental 83688-84-0 295.44 C16H25NO2S DB13776 Ibacitabine small molecule experimental 611-53-0 353.116 C9H12IN3O4 DB13777 Prenalterol small molecule experimental 57526-81-5 225.288 C12H19NO3 DB13778 Cefazedone small molecule experimental 56187-47-4 548.43 C18H15Cl2N5O5S3 DB13779 Guanoclor small molecule experimental 5001-32-1 263.12 C9H12Cl2N4O DB13780 Aluminium clofibrate small molecule experimental 24818-79-9 471.26 C20H21AlCl2O7 DB13782 Imipramine oxide small molecule experimental 6829-98-7 296.414 C19H24N2O DB13784 Dixyrazine small molecule experimental 2470-73-7 427.61 C24H33N3O2S DB13785 Dropropizine small molecule experimental 17692-31-8 236.315 C13H20N2O2 DB13786 Magnesium orotate small molecule experimental 34717-03-8 334.483 C10H6MgN4O8 DB13787 Tilidine small molecule experimental 51931-66-9 273.376 C17H23NO2 DB13788 Chlorbenzoxamine small molecule experimental 522-18-9 435.01 C27H31ClN2O DB13789 Aluminium acetotartrate small molecule experimental 15930-12-8 234.096 C6H7AlO8 DB13790 Fipexide small molecule experimental 34161-24-5 388.85 C20H21ClN2O4 DB13791 Penfluridol small molecule experimental 26864-56-2 523.97 C28H27ClF5NO DB13792 Clopamide small molecule experimental 636-54-4 345.84 C14H20ClN3O3S DB13793 Vinburnine small molecule experimental 4880-88-0 294.398 C19H22N2O DB13794 Dimethoxanate small molecule experimental 477-93-0 358.46 C19H22N2O3S DB13795 Brodimoprim small molecule experimental 56518-41-3 339.193 C13H15BrN4O2 DB13796 Dibunate small molecule experimental 14992-58-6 320.45 C18H24O3S DB13797 Iodocholesterol (131I) small molecule experimental 42220-21-3 516.562 C27H45IO DB13798 Demoxytocin small molecule experimental 113-78-0 992.18 C43H65N11O12S2 DB13799 Ethadione small molecule experimental 520-77-4 157.169 C7H11NO3 DB13800 Calcium levulinate small molecule approved 591-64-0 270.294 C10H14CaO6 DB13802 Epomediol small molecule experimental 1310101-21-3 186.251 C10H18O3 DB13803 Xipamide small molecule experimental 14293-44-8 354.81 C15H15ClN2O4S DB13804 Benzylthiouracil small molecule experimental 6336-50-1 218.27 C11H10N2OS DB13805 Reposal small molecule experimental 3625-25-0 262.309 C14H18N2O3 DB13806 Linopirdine small molecule experimental 105431-72-9 391.474 C26H21N3O DB13807 Tisopurine small molecule experimental 5334-23-6 152.18 C5H4N4S DB13808 Mebhydrolin small molecule experimental 524-81-2 276.383 C19H20N2 DB13810 Dimemorfan small molecule experimental 36309-01-0 255.405 C18H25N DB13812 Bufylline small molecule experimental 5634-34-4 269.305 C11H19N5O3 DB13813 Iodoform small molecule approved 75-47-8 393.732 CHI3 DB13814 Talampicillin small molecule experimental 47747-56-8 481.52 C24H23N3O6S DB13815 Xenysalate small molecule experimental 3572-52-9 313.397 C19H23NO3 DB13816 Aspoxicillin small molecule experimental 63358-49-6 493.54 C21H27N5O7S DB13817 Carbromal small molecule experimental 77-65-6 237.097 C7H13BrN2O2 DB13818 Bibrocathol small molecule experimental 6915-57-7 649.667 C6HBiBr4O3 DB13819 Proxazole small molecule experimental 5696-09-3 287.407 C17H25N3O DB13820 Oxomemazine small molecule experimental 3689-50-7 330.45 C18H22N2O2S DB13821 Ceftezole small molecule experimental 26973-24-0 440.47 C13H12N8O4S3 DB13822 Meprotixol small molecule experimental 4295-63-0 329.46 C19H23NO2S DB13823 Pipemidic acid small molecule experimental 51940-44-4 303.3165 C14H17N5O3 DB13824 Enprostil small molecule experimental 73121-56-9 400.471 C23H28O6 DB13825 Fedrilate small molecule experimental 23271-74-1 347.455 C20H29NO4 DB13826 Etohexadiol small molecule experimental 94-96-2 146.23 C8H18O2 DB13827 Indanazoline small molecule experimental 40507-78-6 201.273 C12H15N3 DB13828 Cyfluthrin small molecule experimental 68359-37-5 434.288 C22H18Cl2FNO3 DB13829 Calcium silicate small molecule experimental 1344-95-2 230.288 CaH6O8Si2 DB13830 Copper usnate small molecule experimental 405.849 C18H14CuO7 DB13831 Potassium permanganate small molecule experimental 7722-64-7 158.032 KMnO4 DB13832 Ranimustine small molecule experimental 58994-96-0 327.72 C10H18ClN3O7 DB13833 Methylatropine small molecule experimental 31610-87-4 304.409 C18H26NO3 DB13834 Phenylmercuric borate small molecule experimental 8017-88-7 633.22 C12H13BHg2O4 DB13835 Caroverine small molecule experimental 23465-76-1 365.477 C22H27N3O2 DB13836 Metampicillin small molecule experimental 6489-97-0 361.42 C17H19N3O4S DB13837 Doxefazepam small molecule experimental 40762-15-0 348.756 C17H14ClFN2O3 DB13839 Dipyrocetyl small molecule experimental 486-79-3 238.195 C11H10O6 DB13840 Hydroxyethylpromethazine small molecule experimental 7647-63-4 329.48 C19H25N2OS DB13841 Clopenthixol small molecule experimental 982-24-1 400.97 C22H25ClN2OS DB13842 Etofylline nicotinate small molecule experimental 13425-39-3 329.316 C15H15N5O4 DB13843 Cloprednol small molecule experimental 5251-34-3 392.88 C21H25ClO5 DB13844 Pipenzolate small molecule experimental 13473-38-6 354.469 C22H28NO3 DB13845 Etafenone small molecule experimental 90-54-0 325.452 C21H27NO2 DB13846 Pyrrobutamine small molecule experimental 91-82-7 311.85 C20H22ClN DB13847 Rhenium Re-186 sulfide small molecule experimental 596.34 Re2S7 DB13848 Fluorodopa (18F) small molecule approved 92812-82-3 214.183 C9H10FNO4 DB13849 Clofibride small molecule experimental 26717-47-5 327.81 C16H22ClNO4 DB13850 Timepidium small molecule experimental 97094-64-9 320.49 C17H22NOS2 DB13852 Mefenorex small molecule experimental 17243-57-1 211.73 C12H18ClN DB13853 Anethole trithione small molecule approved 532-11-6 240.35 C10H8OS3 DB13855 Nifuroxazide small molecule experimental 965-52-6 275.22 C12H9N3O5 DB13856 Fluclorolone small molecule experimental 3693-38-7 447.32 C21H25Cl2FO5 DB13857 Demegestone small molecule experimental 10116-22-0 312.4458 C21H28O2 DB13860 Imidazole salicylate small molecule experimental 36364-49-5 206.201 C10H10N2O3 DB13861 Iopentol small molecule experimental 89797-00-2 835.1644 C20H28I3N3O9 DB13862 Magnesium phosphate small molecule experimental 7757-87-1 262.858 Mg3O8P2 DB13863 Fosfructose small molecule experimental 488-69-7 340.1157 C6H14O12P2 DB13866 Etynodiol small molecule experimental 1231-93-2 300.442 C20H28O2 DB13867 Fluticasone small molecule approved 90566-53-3 444.51 C22H27F3O4S DB13869 2-Methoxy-6-{(E)-[(4-methylphenyl)imino]methyl}phenol small molecule experimental 20772-64-9 241.29 C15H15NO2 DB13871 Albendazole oxide small molecule experimental 54029-12-8 281.331 C12H15N3O3S DB13875 Harmaline small molecule experimental 304-21-2 214.2631 C13H14N2O DB13876 Brofaromine small molecule experimental 63638-91-5 310.191 C14H16BrNO2 DB13912 Coumermycin A1 small molecule experimental 4434-05-3 1110.092 C55H59N5O20 DB13914 Volixibat small molecule experimental 1025216-57-2 805.96 C38H51N3O12S2 DB13916 Toyocamycin small molecule experimental 606-58-6 291.2627 C12H13N5O4 DB13917 Deoxyepinephrine small molecule experimental 501-15-5 167.205 C9H13NO2 DB13918 Diclofop-methyl small molecule experimental 51338-27-3 341.186 C16H14Cl2O4 DB13919 Candesartan small molecule experimental 139481-59-7 440.454 C24H20N6O3 DB13920 Valopicitabine small molecule experimental 640281-90-9 356.379 C15H24N4O6 DB13921 2'-C-methylcytidine small molecule experimental 20724-73-6 257.246 C10H15N3O5 DB13927 anle138b small molecule experimental 882697-00-9 343.18 C16H11BrN2O2 DB13935 AC-262536 small molecule experimental 870888-46-3 278.355 C18H18N2O DB13936 JNJ-28330835 small molecule experimental 888072-47-7 364.251 C14H10F6N4O DB13937 LGD-3303 small molecule experimental 917891-35-1 342.75 C16H14ClF3N2O DB13938 S-40503 small molecule experimental 404920-28-1 293.367 C15H23N3O3 DB13939 RAD-140 small molecule experimental 1182367-47-0 393.83 C20H16ClN5O2 DB13940 2,5-Dimethoxy-4-ethylthioamphetamine small molecule experimental 185562-00-9 255.38 C13H21NO2S DB13941 Piperaquine small molecule experimental 4085-31-8 535.52 C29H32Cl2N6 DB13947 Testosterone enantate benzilic acid hydrazone small molecule approved 18625-33-7 624.866 C40H52N2O4 DB13948 N-(2-hydroxybenzyl)-2,5-dimethoxy-4-cyanophenylethylamine small molecule experimental 1391489-32-9 312.369 C18H20N2O3 DB13950 WIN 55212-2 small molecule experimental 131543-22-1 426.516 C27H26N2O3 DB13951 Stanolone acetate small molecule experimental 1164-91-6 332.484 C21H32O3 DB13957 J147 small molecule experimental 1146963-51-0 350.341 C18H17F3N2O2 DB13958 Trestolone acetate small molecule experimental 6157-87-5 330.468 C21H30O3 DB13962 Calcium saccharate small molecule approved 5793-88-4 248.2 C6H8CaO8 DB13963 1,2-dichlorobenzene small molecule experimental 95-50-1 147.002 C6H4Cl2 DB13966 Isopropyl myristate small molecule approved 110-27-0 270.4507 C17H34O2 DB13969 Quaternium-24 small molecule experimental 32426-11-2 334.03 C20H44ClN DB13970 Dioctyldimonium small molecule approved 20256-55-7 270.524 C18H40N DB13971 Vanadium small molecule approved 7440-62-2 50.9415 V DB13972 Racemethionine small molecule approved 59-51-8 149.211 C5H11NO2S DB13978 Selisistat small molecule experimental 49843-98-3 248.71 C13H13ClN2O DB13983 5,7,2กไ-trihydroxy-6,8-dimethoxyflavone small molecule experimental 159359-22-5 330.292 C17H14O7 DB13984 Cyclopropane small molecule experimental 75-19-4 42.081 C3H6 DB13989 Epitizide small molecule experimental 1764-85-8 425.84 C10H11ClF3N3O4S3 DB13990 Dipropyl-4-hydroxytryptamine small molecule experimental 63065-88-3 260.381 C16H24N2O DB13991 Pipequaline small molecule experimental 77472-98-1 316.448 C22H24N2 DB13993 MRK-409 small molecule experimental 233275-76-8 397.39 C19H17F2N7O DB14000 Tetraglyme small molecule experimental 143-24-8 222.281 C10H22O5 DB14008 Hispidulin small molecule experimental 1447-88-7 300.2629 C16H12O6 DB14010 5-methoxy-N,N-dimethyltryptamine small molecule experimental 1019-45-0 218.2948 C13H18N2O DB14013 SR-9009 small molecule experimental 1379686-30-2 437.94 C20H24ClN3O4S DB14014 SR-9011 small molecule experimental 1379686-29-9 479.04 C23H31ClN4O3S DB14020 Benzoin small molecule approved 119-53-9 212.2439 C14H12O2 DB14026 Thiosalicylic acid small molecule experimental 147-93-3 154.186 C7H6O2S DB14028 Nordazepam small molecule experimental 1088-11-5 270.714 C15H11ClN2O DB14029 Furafylline small molecule experimental 80288-49-9 293.345 C18H16FN3 DB14030 PZM21 small molecule experimental 1997387-43-5 361.5 C19H27N3O2S DB14031 Tretamine small molecule experimental 51-18-3 204.237 C9H12N6 DB14034 Darglitazone small molecule experimental 141200-24-0 420.48 C23H20N2O4S DB14035 Englitazone small molecule experimental 109229-58-5 353.44 C20H19NO3S DB14037 Madecassic acid small molecule experimental 18449-41-7 504.708 C30H48O6 DB14038 beta-Sitosterol small molecule experimental 83-46-5 414.718 C29H50O DB14043 Palmidrol small molecule experimental 544-31-0 299.4919 C18H37NO2 DB14044 Hopantenic acid small molecule experimental 18679-90-8 233.264 C10H19NO5 DB14045 Cholesteryl chloride small molecule experimental 910-31-6 405.11 C27H45Cl DB14049 Nitrate small molecule experimental 14797-55-8 62.0049 NO3 DB14051 Malacidin A small molecule experimental 1249.384 C56H88N12O20 DB14052 Malacidin B small molecule experimental 1263.411 C57H90N12O20 DB14054 Asiatic acid small molecule experimental 464-92-6 488.6991 C30H48O5 DB14055 (S)-Warfarin small molecule experimental 5543-57-7 308.3279 C19H16O4 DB14056 Nigericin small molecule experimental 28380-24-7 724.973 C40H68O11 DB14057 Valinomycin small molecule experimental 2001-95-8 1111.338 C54H90N6O18 DB14058 Basifungin small molecule experimental 127785-64-2 1085.442 C60H92N8O10 DB14059 SC-236 small molecule experimental 170569-86-5 401.79 C16H11ClF3N3O2S DB14060 NS-398 small molecule experimental 123653-11-2 314.357 C13H18N2O5S DB14061 Hycanthone small molecule experimental 3105-97-3 356.48 C20H24N2O2S DB14062 Concanamycin A small molecule experimental 80890-47-7 866.099 C46H75NO14 DB14063 Dexverapamil small molecule experimental 38321-02-7 454.611 C27H38N2O4 DB14064 Emopamil small molecule experimental 78370-13-5 334.4977 C23H30N2 DB14065 Lomerizine small molecule experimental 101477-55-8 468.545 C27H30F2N2O3 DB14066 Tetrandrine small molecule experimental 518-34-3 622.762 C38H42N2O6 DB14067 Dofequidar small molecule experimental 129716-58-1 481.596 C30H31N3O3 DB14068 Dexniguldipine small molecule experimental 120054-86-6 609.723 C36H39N3O6 DB14070 HM-30181 small molecule experimental 849675-66-7 688.741 C38H36N6O7 DB14071 Desmethylsertraline small molecule experimental 87857-41-8 292.2 C16H15Cl2N DB14072 Reversin 121 small molecule experimental 174630-04-7 641.762 C34H47N3O9 DB14073 Gondoic acid small molecule experimental 5561-99-9 310.5145 C20H38O2 DB14074 Icaridin small molecule experimental 119515-38-7 229.3159 C12H23NO3 DB14075 Imidurea small molecule approved 39236-46-9 388.297 C11H16N8O8 DB14079 Hydroxybutyloxide small molecule experimental 821-33-0 162.229 C8H18O3 DB14080 Acetylcysteine magnesium small molecule experimental 36330-79-7 348.67 C10H16MgN2O6S2 DB14081 Asiaticoside small molecule experimental 16830-15-2 959.133 C48H78O19 DB14082 Betiatide small molecule approved 103725-47-9 367.38 C15H17N3O6S DB14083 Bisphenol A diglycidyl ether small molecule approved 1675-54-3 340.4129 C21H24O4 DB14084 Butylparaben small molecule approved 94-26-8 194.2271 C11H14O3 DB14085 Cadmium small molecule experimental 7440-43-9 112.411 Cd DB14088 Osbond acid small molecule experimental 25182-74-5 330.5042 C22H34O2 DB14089 Dimercaptosuccinic acid small molecule approved 2418-14-6 182.218 C4H6O4S2 DB14090 Dimethyl sulfone small molecule experimental 67-71-0 94.133 C2H6O2S DB14092 8-epi-Cyanocobalamin small molecule experimental 41325-63-7 1355.388 C63H88CoN14O14P DB14093 (1,2,6,7-3H)Testosterone small molecule experimental 67308-98-9 296.463 C19H28O2 DB14094 Tocopherylquinone small molecule experimental 7559-04-8 446.7055 C29H50O3 DB14096 1,2-icosapentoyl-sn-glycero-3-phosphoserine small molecule approved 842.064 C47H72NO10P DB14097 13-cis-12-(3'-Carboxyphenyl)retinoic acid small molecule experimental 141948-79-0 420.549 C27H32O4 DB14098 Cobalamin small molecule experimental 13408-78-1 1329.37 C62H88CoN13O14P DB14099 1,2-Distearoyllecithin small molecule approved 4539-70-2 790.161 C44H88NO8P DB14103 Methionine sulfoximine small molecule experimental 15985-39-4 180.22 C5H12N2O3S DB14104 Linoleic acid small molecule approved 60-33-3 280.4455 C18H32O2 DB14105 Sodium 1,2-Dipalmitoyl-sn-glycero-3-phospho-(1'-rac-glycerol) small molecule approved 200880-41-7 744.964 C38H74NaO10P DB14107 7-Aminodesacetoxycephalosporanic acid small molecule experimental 22252-43-3 214.24 C8H10N2O3S DB14108 1,2-Hexanediol small molecule experimental 6920-22-5 118.176 C6H14O2 DB14109 alpha-Arbutin small molecule approved 84380-01-8 272.253 C12H16O7 DB14110 Butylene glycol small molecule approved 107-88-0 90.121 C4H10O2 DB14111 Ceramide NP small molecule experimental 100403-19-8 581.967 C36H71NO4 DB14116 Silodrate small molecule approved 12408-47-8 380.832 Al2H2Mg2O12Si3 DB14119 Phytosphingosine small molecule experimental 554-62-1 317.5072 C18H39NO3 DB14120 Phenylethyl resorcinol small molecule approved 85-27-8 214.264 C14H14O2 DB14121 Parasorbic acid small molecule experimental 10048-32-5 112.128 C6H8O2 DB14122 Dihydroxymethoxychalcone small molecule experimental 19309-14-9 270.284 C16H14O4 DB14125 Benazeprilat small molecule experimental 86541-78-8 396.4364 C22H24N2O5 DB14126 Tenofovir small molecule experimental 147127-20-6 287.2123 C9H14N5O4P DB14127 Sacubitrilat small molecule experimental 149709-44-4 383.444 C22H25NO5 DB14128 Nadide small molecule experimental 53-84-9 663.4251 C21H27N7O14P2 DB14129 Macelignan small molecule experimental 107534-93-0 328.408 C20H24O4 DB14130 Methyl salicylate 2-ethylbutyrate small molecule experimental 85005-92-1 250.294 C14H18O4 DB14132 8-chlorotheophylline small molecule experimental 85-18-7 214.609 C7H7ClN4O2 DB14134 Octyldodecanol small molecule experimental 5333-42-6 298.555 C20H42O DB14135 Hypochlorous acid small molecule experimental 7790-92-3 52.46 ClHO DB14136 (-)-menthol 1-propylene glycol carbonate small molecule experimental 260781-16-6 258.358 C14H26O4 DB14137 Palmitoyl tetrapeptide-7 small molecule experimental 221227-05-0 694.919 C34H62N8O7 DB14138 Silicic acid small molecule experimental 1343-98-2 78.098 H2O3Si DB14141 p-Phenylenediamine small molecule approved 106-50-3 108.144 C6H8N2 DB14143 Distearyldimonium small molecule approved 14357-21-2 551.064 C38H80N DB14144 p-Aminophenol small molecule experimental 123-30-8 109.1259 C6H7NO DB14149 Glyceryl stearate SE small molecule experimental 1704.729 C99H196KNaO16 DB14150 Chloric acid small molecule approved 7790-93-4 84.459 ClHO3 DB14151 Phosphorus small molecule approved 7723-14-0 30.9738 P DB14152 Ginsenosides small molecule experimental 74749-74-9 444.744 C30H52O2 DB14154 Gold small molecule experimental 7440-57-5 196.9666 Au DB14156 Synthetic camphor small molecule approved 76-22-2 152.2334 C10H16O DB14160 Titanium small molecule experimental 7440-32-6 47.867 Ti DB14173 Diazolidinylurea small molecule approved 78491-02-8 278.2194 C8H14N4O7 DB14174 Dipentamethylenethiuram disulfide small molecule approved 94-37-1 320.55 C12H20N2S4 DB14175 alpha-Amyl cinnamaldehyde small molecule approved 122-40-7 202.2921 C14H18O DB14176 Benzylparaben small molecule approved 94-18-8 228.247 C14H12O3 DB14177 Propylparaben small molecule approved 94-13-3 180.2005 C10H12O3 DB14178 Tetramethylthiuram monosulfide small molecule approved 97-74-5 208.36 C6H12N2S3 DB01239 Chlorprothixene small molecule approved 113-59-7 315.86 C18H18ClNS DB01295 Bevantolol small molecule experimental 59170-23-9 345.4327 C20H27NO4 DB01326 Cefamandole small molecule approved 34444-01-4 462.503 C18H18N6O5S2 DB01342 Forasartan small molecule experimental 145216-43-9 416.522 C23H28N8 DB14180 Nickel sulfate small molecule approved 7786-81-4 154.756 NiO4S DB14183 Geraniol small molecule approved 106-24-1 154.253 C10H18O DB14184 Cinnamaldehyde small molecule approved 14371-10-9 132.1592 C9H8O DB14186 Cinnamyl alcohol small molecule approved 4407-36-7 134.1751 C9H10O DB14187 Hydroxycitronellal small molecule approved 107-75-5 172.2646 C10H20O2 DB14188 Isoeugenol small molecule approved 97-54-1 164.204 C10H12O2 DB14189 Ethylenediamine small molecule approved 107-15-3 60.0983 C2H8N2 DB14191 Diphenylguanidine small molecule approved 102-06-7 211.268 C13H13N3 DB14194 Zinc dibutyldithiocarbamate small molecule approved 136-23-2 474.12 C18H36N2S4Zn DB14195 4-(Isopropylamino)diphenylamine small molecule approved 101-72-4 226.323 C15H18N2 DB14197 Methylchloroisothiazolinone small molecule approved 26172-55-4 149.59 C4H4ClNOS DB14198 Quaternium-15 small molecule approved 4080-31-3 251.156 C9H16Cl2N4 DB14199 Bromothalonil small molecule approved 35691-65-7 265.936 C6H6Br2N2 DB14200 Thiohexam small molecule approved 95-33-0 264.41 C13H16N2S2 DB14201 2,2'-Dibenzothiazyl disulfide small molecule approved 120-78-5 332.47 C14H8N2S4 DB14202 Morpholinylmercaptobenzothiazole small molecule approved 102-77-2 252.35 C11H12N2OS2 DB14203 Disperse Blue 106 small molecule approved 68516-81-4 335.38 C14H17N5O3S DB14204 Nickel cation small molecule experimental 14701-22-5 58.6934 Ni DB14205 Cobaltous cation small molecule experimental 22541-53-3 58.9332 Co DB14206 Cobalt chloride small molecule approved 7646-79-9 129.839 Cl2Co DB14207 Fosinoprilat small molecule experimental 95399-71-6 435.4935 C23H34NO5P DB14208 Ramiprilat small molecule experimental 87269-97-4 388.4574 C21H28N2O5 DB14209 Trandolaprilat small molecule experimental 87679-71-8 402.484 C22H30N2O5 DB14210 Moexiprilat small molecule experimental 103775-14-0 470.5149 C25H30N2O7 DB14213 Perindoprilat small molecule experimental 95153-31-4 340.4146 C17H28N2O5 DB14214 Rose bengal lactone small molecule experimental 4159-77-7 973.66 C20H4Cl4I4O5 DB14217 Quinaprilat small molecule experimental 82768-85-2 410.4629 C23H26N2O5 DB14218 Telotristat small molecule experimental 1033805-28-5 546.94 C25H22ClF3N6O3 DB14219 Monomethyl fumarate small molecule experimental 2756-87-8 130.099 C5H6O4 DB14221 Beclomethasone 17-monopropionate small molecule experimental 5534-18-9 464.98 C25H33ClO6 DB14227 Technetium Tc-99m small molecule experimental 14133-76-7 98.9063 Tc DB14232 Deacetylbisacodyl small molecule experimental 603-41-8 277.323 C18H15NO2 DB14471 2-Ethylhexyl 4-phenylbenzophenone-2'-carboxylate small molecule experimental 75005-95-7 414.545 C28H30O3 DB14474 Sorbitan small molecule experimental 12441-09-7 164.157 C6H12O5 DB14475 L-Lactic acid small molecule experimental 79-33-4 90.0779 C3H6O3 DB14476 DL-alpha-Tocopherol small molecule approved 10191-41-0 430.717 C29H50O2 DB14479 Acetylcysteine zinc small molecule experimental 49793-39-7 389.75 C10H16N2O6S2Zn DB14480 Acetylcysteine amide small molecule experimental 38520-57-9 162.21 C5H10N2O2S DB14492 Potassium triiodide small molecule experimental 12298-68-9 419.8117 I3K DB14493 Zinc glycinate small molecule experimental 14281-83-5 213.5 C4H8N2O4Zn DB14494 Zinc carbonate small molecule experimental 5263-02-5 548.96 C2H6O12Zn5 DB14495 Manganese citrate small molecule experimental 10060-26-1 543.012 C12H10Mn3O14 DB14496 Sodium molybdate small molecule approved 7631-95-0 205.93 MoNa2O4 DB14497 Calcium magnesium potassium carbonate chloride hydroxide small molecule experimental 1224727-39-2 289.06 CH3CaClK2MgO6 DB14500 Potassium small molecule approved 7440-09-7 39.0983 K DB14505 Sodium borate small molecule approved 1330-43-4 201.219 B4Na2O7 DB14508 Lithium succinate small molecule experimental 29126-50-9 129.95 C4H4Li2O4 DB14510 Ferrous cation small molecule experimental 15438-31-0 55.845 Fe DB14511 Acetate small molecule experimental 71-50-1 59.044 C2H3O2 DB14513 Magnesium small molecule approved 7439-95-4 26.321 H2Mg DB14516 Sodium cation small molecule experimental 17341-25-2 22.9898 Na DB14519 Aluminum cation small molecule experimental 22537-23-1 26.9815 Al DB14521 Silver cation small molecule experimental 14701-21-4 107.8682 Ag DB14522 Hydroxide ion small molecule experimental 14280-30-9 17.0073 HO DB14523 Phosphate ion small molecule experimental 14265-44-2 94.9714 O4P DB14524 Gallium cation small molecule experimental 22537-33-3 69.723 Ga DB14525 Chromic cation small molecule experimental 16065-83-1 51.9961 Cr DB14526 Chromic citrate small molecule experimental 57072-40-9 241.095 C6H5CrO7 DB14529 Chromium nicotinate small molecule approved 64452-96-6 418.305 C18H12CrN3O6 DB14531 Carbonate ion small molecule experimental 3812-32-6 60.0089 CO3 DB14532 Zinc cation small molecule experimental 23713-49-7 65.409 Zn DB14534 Gold cation (1+) small molecule experimental 20681-14-5 196.9666 Au DB14535 Indium cation In-111 small molecule experimental 131391-70-3 110.9035 In DB14536 Strontium cation Sr-89 small molecule experimental 88.9064 Sr DB14537 Chromate ion Cr-51 small molecule experimental 114.942 CrO4 DB14538 Hydrocortisone aceponate small molecule experimental 74050-20-7 460.567 C26H36O7 DB14546 Sulfate ion small molecule experimental 14808-79-8 96.063 O4S DB14547 Chloride ion small molecule experimental 16887-00-6 35.453 Cl DB14549 Gallium cation Ga-67 small molecule experimental 66.9266 Ga DB14551 Phosphorus P-32 small molecule experimental 14596-37-3 34.998 H3P DB14552 Cupric cation small molecule experimental 15158-11-9 63.546 Cu DB14553 Borate ion small molecule experimental 12258-53-6 155.23 B4O7 DB14554 Dotatate small molecule approved 177943-88-3 1435.63 C65H90N14O19S2 DB14555 Ursadiol small molecule experimental 37384-13-7 442.728 C30H50O2 DB14556 Peracetic acid small molecule experimental 79-21-0 76.0514 C2H4O3 DB14557 Ethylhexylglycerin small molecule experimental 70445-33-9 204.31 C11H24O3 DB14570 Hydroxyprogesterone small molecule experimental 68-96-2 330.4611 C21H30O3 DB14571 Radium Ra-223 cation small molecule experimental 223.0174 Ra DB14572 Bismuth cation small molecule experimental 23713-46-4 208.9804 Bi DB14573 Phosphate ion P-32 small molecule experimental 18274-25-4 95.972 O4P DB14574 Cobalt small molecule approved 7440-48-4 58.9332 Co DB14576 Thallous cation Tl-201 small molecule experimental 200.9703 Tl DB14577 Calcium cation small molecule experimental 14127-61-8 40.078 Ca DB14578 Gadolinium cation (3+) small molecule experimental 22541-19-1 157.25 Gd DB14579 Lanthanum III cation small molecule experimental 16096-89-2 138.9055 La DB14583 Segesterone acetate small molecule approved 7759-35-5 370.489 C23H30O4 DB14584 Segesterone small molecule experimental 7690-08-6 328.452 C21H28O3 DB14589 Caprylyl glycol small molecule experimental 1117-86-8 146.23 C8H18O2 DB00873 Loteprednol small molecule approved 129260-79-3 394.889 C21H27ClO5 DB14599 Edetate copper disodium small molecule experimental 14025-15-1 397.738 C10H12CuN2Na2O8 DB14622 Sodium phosphate tribasic dodecahydrate small molecule experimental 10101-89-0 380.119 H24Na3O16P DB14623 Acetyl chloride small molecule experimental 75-36-5 78.5 C2H3ClO DB14624 Nandrolone hydrogen sulfate small molecule experimental 98804-55-8 354.46 C18H26O5S DB14625 Meprednisone acetate small molecule experimental 1106-03-2 414.498 C24H30O6 DB14628 Pseudosaccharin chloride small molecule experimental 567-19-1 201.62 C7H4ClNO2S DB14629 Trifluoroethyl acetate small molecule experimental 406-95-1 142.077 C4H5F3O2 DB14630 Tyramine O-sulfate small molecule experimental 30223-92-8 217.242 C8H11NO4S DB14633 Prednisolone hemisuccinate small molecule experimental 2920-86-7 460.523 C25H32O8 DB14634 Fluprednidene acetate small molecule experimental 1255-35-2 432.488 C24H29FO6 DB14635 Curcumin sulfate small molecule experimental 339286-19-0 448.44 C21H20O9S DB14637 Fluprednisolone acetate small molecule experimental 570-36-5 420.477 C23H29FO6 DB14641 Estriol tripropionate small molecule experimental 2236-31-9 456.5711 C27H36O6 DB14645 Nitrogen trichloride small molecule experimental 10025-85-1 120.366 Cl3N DB14646 Prednisone acetate small molecule approved 125-10-0 400.471 C23H28O6 DB14647 Sulfur chloride small molecule experimental 10025-67-9 135.02 Cl2S2 DB14648 Acetyl simvastatin small molecule experimental 145576-25-6 460.611 C27H40O6 DB14651 Perphenazine enanthate small molecule experimental 17528-28-8 516.14 C28H38ClN3O2S DB14652 Clocortolone acetate small molecule experimental 4258-85-9 452.95 C24H30ClFO5 DB14653 Clocortolone caproate small molecule experimental 4891-71-8 509.06 C28H38ClFO5 DB14654 Bisoxatin acetate small molecule experimental 14008-48-1 417.417 C24H19NO6 DB14659 Melengestrol acetate small molecule experimental 2919-66-6 396.527 C25H32O4 DB14661 Loperamide oxide small molecule experimental 106900-12-3 493.04 C29H33ClN2O3 DB14662 Flunisolide acetate small molecule experimental 4533-89-5 476.541 C26H33FO7 DB14663 Ribavirin monophosphate small molecule experimental 40925-28-8 324.1846 C8H13N4O8P DB14664 Difluocortolone pivalate small molecule experimental 15845-96-2 478.577 C27H36F2O5 DB14665 Bornyl acetate small molecule experimental 76-49-3 196.286 C12H20O2 DB14666 Oleoyl chloride small molecule experimental 112-77-6 300.91 C18H33ClO DB14667 Phenyl hydrogen sulfate small molecule experimental 937-34-8 174.174 C6H6O4S DB14668 Dienestrol diacetate small molecule experimental 24705-61-1 350.414 C22H22O4 DB14670 Lauroyl chloride small molecule experimental 112-16-3 218.77 C12H23ClO DB14671 Temazepam acetate small molecule experimental 18818-64-9 342.78 C18H15ClN2O3 DB14672 Oxazepam acetate small molecule experimental 1824-74-4 328.75 C17H13ClN2O3 DB14673 Flurandrenolide acetate small molecule experimental 2802-11-1 478.557 C26H35FO7 DB14676 Fagrocorat small molecule experimental 1044535-52-5 494.558 C29H29F3N2O2 DB14678 Norethindrone enanthate small molecule experimental 3836-23-5 410.598 C27H38O3 DB14679 Quingestanol acetate small molecule experimental 3000-39-3 408.582 C27H36O3 DB14680 Combretastatin A4 small molecule experimental 117048-59-6 316.353 C18H20O5 DB14681 Cortisone small molecule experimental 53-06-5 360.444 C21H28O5 DB14682 Dextrorphan small molecule experimental 125-73-5 257.3706 C17H23NO DB14683 Prezatide copper small molecule experimental 89030-95-5 402.921 C14H23CuN6O4 DB14695 Ferric oxyhydroxide small molecule experimental 20344-49-4 88.851 FeHO2 DB14701 Ethyl 8-hydroxy-alpha-(2-propynylamino)-5-quinolinepropanoate small molecule experimental 686723-15-9 298.342 C17H18N2O3 DB14702 Sodium metavanadate small molecule approved 13718-26-8 121.9295 NaO3V DB14703 Dexamethasone metasulfobenzoate small molecule approved 16978-57-7 576.63 C29H33FO9S DB14704 Ribitol small molecule experimental 488-81-3 152.1458 C5H12O5 DB14705 Ceramide AP small molecule experimental 212070-45-6 599.982 C36H73NO5 DB14706 Ceramide NG small molecule experimental 2304-80-5 567.9697 C36H73NO3 DB14708 Tosylchloramide small molecule experimental 144-86-5 205.66 C7H8ClNO2S DB14714 Tenivastatin small molecule experimental 121009-77-6 436.5815 C25H40O6 DB14715 Cinazepam small molecule experimental 172986-25-3 465.68 C19H14BrClN2O5 DB14716 Clonazolam small molecule experimental 33887-02-4 353.77 C17H12ClN5O2 DB14717 Nitrazolam small molecule experimental 28910-99-8 319.324 C17H13N5O2 DB14718 Pyrazolam small molecule experimental 39243-02-2 354.211 C16H12BrN5 DB14719 Bentazepam small molecule experimental 29462-18-8 296.39 C17H16N2OS DB14720 Brovanexine small molecule experimental 54340-61-3 568.306 C24H28Br2N2O4 DB14727 Riboflavin tetrabutyrate small molecule experimental 752-56-7 656.733 C33H44N4O10 DB14729 Rebeccamycin small molecule experimental 93908-02-2 570.38 C27H21Cl2N3O7 DB14732 Queuine small molecule experimental 72496-59-4 277.2792 C12H15N5O3 DB14733 Ceftobiprole medocaril small molecule experimental 376653-43-9 690.66 C26H26N8O11S2 DB14734 Cannabigerol small molecule experimental 25654-31-3 316.485 C21H32O2 DB14735 Cannabichromene small molecule experimental 20675-51-8 314.469 C21H30O2 DB14736 Cannabivarin small molecule experimental 33745-21-0 282.383 C19H22O2 DB14737 Cannabinol small molecule experimental 521-35-7 310.437 C21H26O2 DB14739 Phenolsulfonic acid small molecule experimental 98-67-9 174.17 C6H6O4S DB14746 Lauryl glucoside small molecule experimental 27836-64-2 348.48 C18H36O6 DB14750 Cidoxepin small molecule experimental 3607-18-9 279.383 C19H21NO DB14755 beta-Isosparteine small molecule experimental 24915-04-6 234.3803 C15H26N2 DB14756 meso-Tartaric acid small molecule experimental 147-73-9 150.0868 C4H6O6 DB14760 Narlaprevir small molecule experimental 865466-24-6 707.97 C36H61N5O7S DB01347 Saprisartan small molecule experimental 146623-69-0 611.431 C25H22BrF3N4O4S DB01349 Tasosartan small molecule experimental 145733-36-4 411.4591 C23H21N7O DB01352 Aprobarbital small molecule experimental 77-02-1 210.2298 C10H14N2O3 DB01354 Heptabarbital small molecule experimental 509-86-4 250.2936 C13H18N2O3 DB01355 Hexobarbital small molecule experimental 56-29-1 236.267 C12H16N2O3 DB01356 Lithium cation small molecule experimental 7439-93-2 6.941 Li DB01375 Aluminium monostearate small molecule experimental 7047-84-9 344.472 C18H37AlO4 DB01384 Paramethasone small molecule experimental 53-33-8 392.4611 C22H29FO5 DB01397 Magnesium salicylate small molecule experimental 18917-89-0 298.531 C14H10MgO6 DB01414 Cefacetrile small molecule experimental 10206-21-0 339.324 C13H13N3O6S DB01422 Nitroxoline small molecule experimental 4008-48-4 190.1555 C9H6N2O3 DB01423 Stepronin small molecule experimental 72324-18-6 273.329 C10H11NO4S2 DB01426 Ajmaline small molecule approved 4360-12-7 326.4326 C20H26N2O2 DB01429 Aprindine small molecule experimental 37640-71-4 322.487 C22H30N2 DB01431 Allylestrenol small molecule experimental 432-60-0 300.4782 C21H32O DB01433 Methadyl acetate small molecule experimental 509-74-0 353.4977 C23H31NO2 DB01434 19-norandrostenedione small molecule experimental 734-32-7 272.382 C18H24O2 DB01439 3-Methylthiofentanyl small molecule experimental 86052-04-2 356.525 C21H28N2OS DB01441 5-Methoxy-N,N-diisopropyltryptamine small molecule experimental 4021-34-5 274.4011 C17H26N2O DB01442 MMDA small molecule experimental 13674-05-0 209.2417 C11H15NO3 DB01443 19-Nor-5-androstenedione small molecule experimental 19289-77-1 272.388 C18H24O2 DB01444 Dimethylthiambutene small molecule experimental 524-84-5 263.421 C14H17NS2 DB01445 Bufotenine small molecule experimental 487-93-4 204.2682 C12H16N2O DB01446 Indopan small molecule experimental 299-26-3 174.2423 C11H14N2 DB01447 4-Methylaminorex small molecule experimental 3568-94-3 176.2151 C10H12N2O DB01450 Dihydroetorphine small molecule experimental 14357-76-7 413.5497 C25H35NO4 DB01451 1-Androstenedione small molecule experimental 571-40-4 286.415 C19H26O2 DB01453 Beta-hydroxyfentanyl small molecule experimental 78995-10-5 352.4699 C22H28N2O2 DB01454 Midomafetamine small molecule experimental 42542-10-9 193.2423 C11H15NO2 DB01455 19-Nor-5-androstenediol small molecule experimental 25975-59-1 276.4137 C18H28O2 DB01456 5-androstenedione small molecule experimental 571-36-8 286.415 C19H26O2 DB01458 2,5-Dimethoxy-4-(n)-propylthiophenethylamine small molecule experimental 207740-26-9 255.38 C13H21NO2S DB01459 Bezitramide small molecule experimental 15301-48-1 492.6114 C31H32N4O2 DB01460 Diethyltryptamine small molecule experimental 61-51-8 216.322 C14H20N2 DB01461 Dimenoxadol small molecule experimental 509-78-4 327.4174 C20H25NO3 DB01462 Etonitazene small molecule experimental 911-65-9 396.4827 C22H28N4O3 DB01463 Fencamfamin small molecule experimental 1209-98-9 215.3339 C15H21N DB01464 Furethidine small molecule experimental 2385-81-1 361.4751 C21H31NO4 DB15251 Antipain small molecule experimental 37691-11-5 604.713 C27H44N10O6 DB15466 Tallimustine small molecule experimental 115308-98-0 697.62 C32H38Cl2N10O4 DB15468 Iscotrizinol small molecule experimental 154702-15-5 766.0 C44H59N7O5 DB15469 Octyl triazone small molecule experimental 88122-99-0 823.092 C48H66N6O6 DB15477 Alloin small molecule approved 8015-61-0 418.398 C21H22O9 DB15479 Zirconium chloride hydroxide small molecule approved 10119-31-0 143.68 ClHOZr DB15480 Resorcinol monoacetate small molecule approved 102-29-4 152.149 C8H8O3 DB15488 Echinacoside small molecule experimental 82854-37-3 786.733 C35H46O20 DB15489 Mexazolam small molecule experimental 31868-18-5 363.238 C18H16Cl2N2O2 DB15490 Zuranolone small molecule experimental 1632051-40-1 409.574 C25H35N3O2 DB15491 Oxazolam small molecule experimental 24143-17-7 328.8 C18H17ClN2O2 DB15492 Eticlopride small molecule experimental 84226-12-0 340.845 C17H25ClN2O3 DB15493 Cambinol small molecule experimental 14513-15-6 360.43 C21H16N2O2S DB15495 Rocaglamide small molecule experimental 84573-16-0 505.567 C29H31NO7 DB15496 Didesmethylrocaglamide small molecule experimental 477.513 C27H27NO7 DB15498 BOS172722 small molecule experimental 1578245-44-9 446.559 C24H30N8O DB15527 Umirolimus small molecule experimental 851536-75-9 986.294 C55H87NO14 DB15532 Madecassoside small molecule experimental 34540-22-2 975.132 C48H78O20 DB15533 Calcium sulfate small molecule experimental 7778-18-9 136.141 CaO4S DB15534 Colchiceine small molecule approved 477-27-0 385.416 C21H23NO6 DB15535 Cuprous chloride small molecule experimental 7758-89-6 98.999 ClCu DB15536 Ferric chloride small molecule experimental 7705-08-0 162.204 Cl3Fe DB15551 Leptazoline A small molecule experimental 299.71 C13H14ClNO5 DB15552 Leptazoline B small molecule experimental 388.8 C16H21ClN2O7 DB15553 Leptazoline C small molecule experimental 265.265 C13H15NO5 DB15554 Leptazoline D small molecule experimental 354.359 C16H22N2O7 DB15555 Magnesium malate small molecule experimental 869-06-7 156.376 C4H4MgO5 DB15556 Zinc glycinate citrate small molecule experimental 955009-96-8 405.62 C10H16N2O11Zn DB15557 24-Homo-1,25-dihydroxyvitamin D3 small molecule experimental 103656-40-2 430.673 C28H46O3 DB15565 Cilazaprilat small molecule experimental 90139-06-3 389.4455 C20H27N3O5 DB15571 (12R)-12-hydroxyeicosapentaenoic acid small molecule experimental 109430-12-8 318.457 C20H30O3 DB15573 alpha-Pinene small molecule experimental 80-56-8 136.238 C10H16 DB15574 beta-Pinene small molecule experimental 127-91-3 136.238 C10H16 DB15575 Padeliporfin small molecule experimental 759457-82-4 840.26 C37H43N5O9PdS DB15576 Ethyl salicylate small molecule approved 118-61-6 166.1739 C9H10O3 DB15578 Desfesoterodine small molecule experimental 207679-81-0 341.487 C22H31NO2 DB15579 Cryptotanshinone small molecule experimental 35825-57-1 296.366 C19H20O3 DB15580 Climbazole small molecule experimental 38083-17-9 292.76 C15H17ClN2O2 DB15581 Chrysin small molecule experimental 480-40-0 254.2375 C15H10O4 DB15582 Echinomycin small molecule experimental 512-64-1 1101.27 C51H64N12O12S2 DB15583 Fluazuron small molecule experimental 86811-58-7 506.21 C20H10Cl2F5N3O3 DB15584 Luteolin small molecule experimental 491-70-3 286.2363 C15H10O6 DB15585 ORG-31710 small molecule experimental 118968-41-5 445.647 C30H39NO2 DB15586 Patulin small molecule experimental 149-29-1 154.1201 C7H6O4 DB15587 Antimony potassium tartrate small molecule experimental 28300-74-5 667.87 C8H10K2O15Sb2 DB15588 Ursolic acid small molecule experimental 77-52-1 456.711 C30H48O3 DB15589 Zingerone small molecule experimental 122-48-5 194.2271 C11H14O3 DB15590 beta-Apopicropodophyllin small molecule experimental 477-52-1 396.395 C22H20O7 DB15596 Aminopromazine small molecule experimental 58-37-7 327.49 C19H25N3S DB15597 Aminopentamide small molecule experimental 60-46-8 296.414 C19H24N2O DB15609 JPC-3210 small molecule experimental 1609655-35-7 398.446 C21H26F4N2O DB15610 (4-(trifluoromethoxy)phenyl)urea small molecule experimental 82971-90-2 220.151 C8H7F3N2O2 DB15614 Previtamin D(3) small molecule experimental 1173-13-3 384.648 C27H44O DB15618 (5E,7E,9)-decatrien-2-one small molecule experimental 150.221 C10H14O DB15619 (5Z,7E,9)-decatrien-2-one small molecule experimental 150.221 C10H14O DB15622 Triazavirin small molecule experimental 123606-06-4 228.19 C5H4N6O3S DB15624 Halicin small molecule experimental 40045-50-9 261.29 C5H3N5O2S3 DB15643 N-(2-Aminoethyl)-1-aziridineethanamine small molecule experimental 23435-23-6 129.207 C6H15N3 DB15647 Ketodarolutamide small molecule experimental 1297537-33-7 396.84 C19H17ClN6O2 DB15648 Calcium oxide small molecule experimental 1305-78-8 56.077 CaO DB15657 Ala-geninthiocin small molecule experimental 1134.11 C50H51N15O15S DB15658 2-chloro-4,5-dimethylphenol small molecule experimental 1124-04-5 156.61 C8H9ClO DB15659 alpha,alpha-Dibromo-D-camphor small molecule experimental 514-12-5 310.029 C10H14Br2O DB15660 N4-Hydroxycytidine small molecule experimental 3258-02-4 259.218 C9H13N3O6 DB15661 EIDD-2801 small molecule experimental 2349386-89-4 329.309 C13H19N3O7 DB15662 Myristyl glyceryl ether small molecule experimental 1561-06-4 288.472 C17H36O3 DB15664 Vitamin K7 small molecule experimental 83-69-2 173.215 C11H11NO DB15666 Iodopropynyl butylcarbamate small molecule experimental 55406-53-6 281.0909 C8H12INO2 DB15668 Silver oxide small molecule experimental 20667-12-3 231.7358 Ag2O DB15678 Calcium undecylenate small molecule approved 1322-14-1 406.62 C22H38CaO4 DB15679 Aluminum subacetate small molecule approved 142-03-0 162.0769 C4H7AlO5 DB15684 2,3-dichloro-5,6-dicyanobenzoquinone small molecule experimental 84-58-2 227.0 C8Cl2N2O2 DB15686 GS-441524 small molecule experimental 1191237-69-0 291.267 C12H13N5O4 DB01465 2,5-Dimethoxyamphetamine small molecule experimental 2801-68-5 195.2582 C11H17NO2 DB01466 Ethylmorphine small molecule experimental 76-58-4 313.3908 C19H23NO3 DB01467 2,5-Dimethoxy-4-ethylamphetamine small molecule experimental 22004-32-6 223.3113 C13H21NO2 DB01468 Ethylmethylthiambutene small molecule experimental 441-61-2 277.448 C15H19NS2 DB01469 Acetorphine small molecule experimental 25333-77-1 453.579 C27H35NO5 DB01471 Bolasterone small molecule experimental 1605-89-6 316.4776 C21H32O2 DB01472 4-Methoxyamphetamine small molecule experimental 64-13-1 165.2322 C10H15NO DB01473 Betaprodine small molecule experimental 468-59-7 261.365 C16H23NO2 DB01474 17alpha-methyl-3beta,17beta-dihydroxyandrost-4-ene small molecule experimental 571-03-9 304.474 C20H32O2 DB01475 Dioxaphetyl butyrate small molecule experimental 467-86-7 353.4547 C22H27NO3 DB01476 Haloxazolam small molecule experimental 59128-97-1 377.208 C17H14BrFN2O2 DB01477 Codeine methylbromide small molecule experimental 125-27-9 394.303 C19H24BrNO3 DB01478 Desmethylprodine small molecule experimental 13147-09-6 247.3327 C15H21NO2 DB01479 BA-2664 small molecule experimental 641-82-7 306.49 C20H34O2 DB01480 Cyprenorphine small molecule experimental 4406-22-8 423.553 C26H33NO4 DB01481 1-Testosterone small molecule experimental 65-06-5 288.4244 C19H28O2 DB01482 Fenethylline small molecule experimental 3736-08-1 341.415 C18H23N5O2 DB01484 4-Bromo-2,5-dimethoxyamphetamine small molecule experimental 32156-26-6 274.154 C11H16BrNO2 DB01485 4-Hydroxytestosterone small molecule experimental 2141-17-5 304.43 C19H28O3 DB01486 Cathine small molecule experimental 492-39-7 151.2056 C9H13NO DB01487 Embutramide small molecule experimental 15687-14-6 293.4012 C17H27NO3 DB01488 Dimethyltryptamine small molecule experimental 61-50-7 188.2688 C12H16N2 DB01489 Camazepam small molecule experimental 36104-80-0 371.818 C19H18ClN3O3 DB01490 Aminorex small molecule experimental 2207-50-3 162.1885 C9H10N2O DB01491 Dipipanone small molecule experimental 467-83-4 349.509 C24H31NO DB01496 Dihydro-2-thioxo-5-((5-(2-(trifluoromethyl)phenyl)-2-furanyl)methyl)-4,6(1H,5H)-pyrimidinedione small molecule experimental 959343-20-5 368.33 C16H11F3N2O3S DB01498 Alphamethadol small molecule experimental 17199-54-1 311.4611 C21H29NO DB01499 Alphameprodine small molecule experimental 468-51-9 275.3859 C17H25NO2 DB01500 Oxabolone small molecule experimental 4721-69-1 290.403 C18H26O3 DB01502 Diampromide small molecule experimental 552-25-0 324.4598 C21H28N2O DB01503 1-Androstenediol small molecule experimental 5323-27-3 290.447 C19H30O2 DB01505 Etoxeridine small molecule experimental 469-82-9 321.4113 C18H27NO4 DB01506 1-Phenylcyclohexylamine small molecule experimental 2201-24-3 175.2701 C12H17N DB01509 Tenamfetamine small molecule experimental 4764-17-4 179.2157 C10H13NO2 DB01511 Delorazepam small molecule experimental 2894-67-9 305.159 C15H10Cl2N2O DB01512 Hydromorphinol small molecule experimental 2183-56-4 303.3529 C17H21NO4 DB01513 17Alpha-methyl-3beta,17beta-dihydroxy-5alpha-androstane small molecule experimental 641-83-8 306.49 C20H34O2 DB01515 Benzoylecgonine small molecule experimental 519-09-5 289.3264 C16H19NO4 DB01516 3,4,5-Trimethoxyamphetamine small molecule experimental 1082-88-8 225.2842 C12H19NO3 DB01518 Benzethidine small molecule experimental 3691-78-9 367.4813 C23H29NO3 DB01520 Tenocyclidine small molecule experimental 21500-98-1 249.415 C15H23NS DB01521 Clostebol small molecule experimental 1093-58-9 322.869 C19H27ClO2 DB01522 Betacetylmethadol small molecule experimental 17199-59-6 353.4977 C23H31NO2 DB01523 Clonitazene small molecule experimental 3861-76-5 386.875 C20H23ClN4O2 DB01524 Androstenediol small molecule experimental 521-17-5 290.4403 C19H30O2 DB01525 Ecgonine small molecule experimental 481-37-8 185.2203 C9H15NO3 DB01526 4-Androstenediol small molecule experimental 1156-92-9 290.4403 C19H30O2 DB01527 Clortermine small molecule experimental 10389-73-8 183.678 C10H14ClN DB01528 4-Methyl-2,5-dimethoxyamphetamine small molecule experimental 15588-95-1 209.2848 C12H19NO2 DB01529 Dextromoramide small molecule experimental 357-56-2 392.543 C25H32N2O2 DB01530 5alpha-androstane-3alpha,17beta-diol small molecule experimental 1852-53-5 292.4562 C19H32O2 DB01531 Desomorphine small molecule experimental 427-00-9 271.36 C17H21NO2 DB01533 Diethylthiambutene small molecule experimental 86-14-6 291.475 C16H21NS2 DB01534 Chlorhexadol small molecule experimental 3563-58-4 265.562 C8H15Cl3O3 DB01536 Androstenedione small molecule experimental 63-05-8 286.4085 C19H26O2 DB01537 4-Bromo-2,5-dimethoxyphenethylamine small molecule experimental 66142-81-2 260.128 C10H14BrNO2 DB01538 Acetyldihydrocodeine small molecule experimental 3861-72-1 343.4168 C20H25NO4 DB01539 1-Piperidinocyclohexanecarbonitrile small molecule experimental 3867-15-0 192.3006 C12H20N2 DB01542 Allylprodine small molecule experimental 25384-17-2 287.3966 C18H25NO2 DB01543 18-methyl-19-nortestosterone small molecule experimental 793-55-5 288.431 C19H28O2 DB01545 Ethyl loflazepate small molecule experimental 29177-84-2 360.767 C18H14ClFN2O3 DB01547 Drotebanol small molecule experimental 3176-03-2 333.422 C19H27NO4 DB01549 Rolicyclidine small molecule experimental 2201-39-0 229.3605 C16H23N DB01550 Fenproporex small molecule experimental 16397-28-7 188.2688 C12H16N2 DB01552 Betameprodine small molecule experimental 468-50-8 275.392 C17H25NO2 DB01553 Cloxazolam small molecule experimental 24166-13-0 349.211 C17H14Cl2N2O2 DB01554 Bolandiol small molecule experimental 19793-20-5 276.42 C18H28O2 DB01555 Alphacetylmethadol small molecule experimental 17199-58-5 353.4977 C23H31NO2 DB01561 Androstanedione small molecule experimental 846-46-8 288.4244 C19H28O2 DB01562 1-(2-Phenylethyl)-4-phenyl-4-acetoxypiperidine small molecule experimental 64-52-8 323.4287 C21H25NO2 DB01564 Calusterone small molecule experimental 17021-26-0 316.4776 C21H32O2 DB01565 Dihydromorphine small molecule experimental 509-60-4 287.3535 C17H21NO3 DB01566 Methylenedioxyethamphetamine small molecule experimental 82801-81-8 207.2689 C12H17NO2 DB01567 Fludiazepam small molecule experimental 3900-31-0 302.731 C16H12ClFN2O DB01568 Codeine-N-oxide small molecule experimental 3688-65-1 315.3636 C18H21NO4 DB01569 Formebolone small molecule experimental 2454-11-7 344.4446 C21H28O4 DB01572 Methyl-1-testosterone small molecule experimental 65-04-3 302.458 C20H30O2 DB01573 Benzylmorphine small molecule experimental 14297-87-1 375.4602 C24H25NO3 DB01578 Metrizamide small molecule experimental 31112-62-6 789.1 C18H22I3N3O8 DB01594 Cinolazepam small molecule experimental 75696-02-5 357.766 C18H13ClFN3O2 DB01613 Erythrityl tetranitrate small molecule approved 7297-25-8 302.11 C4H6N4O12 DB01614 Acepromazine small molecule experimental 61-00-7 326.456 C19H22N2OS DB01615 Aceprometazine small molecule experimental 13461-01-3 326.456 C19H22N2OS DB01622 Thioproperazine small molecule experimental 316-81-4 446.629 C22H30N4O2S2 DB01629 5-fluorouridine small molecule experimental 316-46-1 262.1918 C9H11FN2O6 DB01630 SC-74020 small molecule experimental 574.732 C29H42N4O6S DB01631 Methyl nonanoate small molecule experimental 1731-84-6 172.2646 C10H20O2 DB01632 5-O-phosphono-alpha-D-ribofuranosyl diphosphate small molecule approved 13270-65-0 390.0696 C5H13O14P3 DB01633 Deoxy-2-fluoro-beta-D-cellotrioside small molecule experimental 506.4281 C18H31FO15 DB01634 2-Oxy-4-Hydroxy-5-(2-Hydrazinopyridine)Phenylalanine small molecule experimental 304.3012 C14H16N4O4 DB01635 2,2-Dimethylthiazolidine-4-Carboxylic Acid;(Dmt)Thiazolidine small molecule experimental 161.222 C6H11NO2S DB01637 3,7,11,15-tetramethyl-hexadecan-1-ol small molecule experimental 298.5469 C20H42O DB01639 N-Methyl-Pyridoxal-5'-Phosphate small molecule experimental 262.1764 C9H13NO6P DB01640 6-(4-{[2-(3-iodobenzyl)-3-oxocyclohex-1-en-1-yl]amino}phenyl)-5-methyl-4,5-dihydropyridazin-3(2H)-one small molecule experimental 513.3707 C24H24IN3O2 DB01641 {(4Z)-2-[(1R,2R)-1-Amino-2-hydroxypropyl]-4-[(4-amino-1H-indol-3-yl)methylene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid small molecule experimental 357.3639 C17H19N5O4 DB01642 methyl beta-D-glucopyranoside small molecule experimental 709-50-2 194.1825 C7H14O6 DB01643 Thymidine monophosphate small molecule experimental 365-07-1 322.2085 C10H15N2O8P DB01644 3,6-dihydroxy-xanthene-9-propionic acid small molecule experimental 286.2794 C16H14O5 DB01646 N-Acetylmethionine small molecule experimental 65-82-7 191.248 C7H13NO3S DB01647 Daxalipram small molecule experimental 189940-24-7 265.305 C14H19NO4 DB01648 Methyl 4-thio-beta-D-glucopyranoside small molecule experimental 210.248 C7H14O5S DB01649 7-methyl-GpppA small molecule experimental 787.441 C21H30N10O17P3 DB01650 trans-2-hydroxycinnamic acid small molecule experimental 614-60-8 164.158 C9H8O3 DB01651 Methyl 4,6-O-[(1R)-1-carboxyethylidene]-beta-D-galactopyranoside small molecule experimental 264.2292 C10H16O8 DB01652 4-hydroxybenzoyl-CoA small molecule experimental 27718-41-8 887.64 C28H40N7O18P3S DB01655 L-gulonic acid 6-phosphate small molecule experimental 276.1352 C6H13O10P DB01657 2-amino-3-[4-hydroxy-6-oxo-3-(2-phenyl-cyclopropylimino)-cyclohexa-1,4-dienyl]-propionic acid small molecule experimental 328.3624 C18H20N2O4 DB01658 1'-Deazo-Thiamin Diphosphate small molecule experimental 423.318 C13H19N3O7P2S DB01659 3-(1,10-Phenanthrol-2-Yl)-L-Alanine small molecule experimental 267.2826 C15H13N3O2 DB01661 1-(5-phospho-D-ribosyl)-ATP small molecule experimental 719.2755 C15H25N5O20P4 DB01662 Trans-O-Hydroxy-Alpha-Methyl Cinnamate small molecule experimental 180.2005 C10H12O3 DB01663 lambda-bis(2,2'-bipyridine)-(5-methyl-2-2'-bipyridine)-C9-adamantane ruthenium (II) small molecule experimental 873.1 C50H57N7ORu DB01664 (S)-DES-ME-AMPA small molecule experimental 172.1387 C6H8N2O4 DB01665 2H-Benzimidazol-2-amine small molecule experimental 133.1506 C7H7N3 DB01666 D-Myo-Inositol-Hexasulphate small molecule experimental 660.535 C6H12O24S6 DB01667 8-azaguanine small molecule experimental 134-58-7 152.1142 C4H4N6O DB01668 Nanaomycin D small molecule experimental 300.2629 C16H12O6 DB01669 Virginiamycin M1 small molecule experimental 21411-53-0 525.5934 C28H35N3O7 DB01670 Propyl acetate small molecule experimental 109-60-4 102.1317 C5H10O2 DB01671 p-Hydroxymercuribenzoic acid small molecule experimental 1126-48-3 338.71 C7H6HgO3 DB01672 2,3-Dihydroxy-Benzoic Acid small molecule experimental 303-38-8 154.1201 C7H6O4 DB01673 Uridine-5'-Diphosphate-N-Acetylmuramoyl-L-Alanine small molecule experimental 750.4943 C23H36N4O20P2 DB01674 [2-(1-Amino-2-Hydroxy-Propyl)-4-(4-Fluoro-1h-Indol-3-Ylmethyl)-5-Hydroxy-Imidazol-1-Yl]-Acetic Acid small molecule experimental 362.3556 C17H19FN4O4 DB01675 Methacrylyl-Coenzyme A small molecule experimental 6008-91-9 835.608 C25H40N7O17P3S DB01676 Trinitrotoluene small molecule experimental 118-96-7 227.1311 C7H5N3O6 DB01677 Fumaric Acid small molecule experimental 110-17-8 116.0722 C4H4O4 DB01678 RU84687 small molecule experimental 607.5907 C31H34N3O8P DB01679 Propyl Trihydrogen Diphosphate small molecule experimental 220.0548 C3H10O7P2 DB01681 Benzene Hexacarboxylic Acid small molecule experimental 517-60-2 342.1688 C12H6O12 DB01682 6'-Methyl-Thiamin Diphosphate small molecule experimental 438.333 C13H20N4O7P2S DB01683 Chymostatin small molecule experimental 9076-44-2 607.712 C31H41N7O6 DB01684 1-Hydroxy-1-Thio-Glycerol small molecule experimental 124.159 C3H8O3S DB01685 Topiroxostat small molecule experimental 577778-58-6 248.2428 C13H8N6 DB01686 N,N-dimethylarginine small molecule experimental 30315-93-6 202.2541 C8H18N4O2 DB01687 beta-Mannobiose small molecule experimental 342.2965 C12H22O11 DB01688 P-Cresol small molecule experimental 106-44-5 108.1378 C7H8O DB01689 Inhibitor Idd 384 small molecule experimental 390.453 C19H22N2O5S DB01690 Bis(Adenosine)-5'-Triphosphate small molecule experimental 756.4071 C20H27N10O16P3 DB01691 Indole Naphthyridinone small molecule experimental 374.4357 C22H22N4O2 DB01692 Dithioerythritol small molecule experimental 6892-68-8 154.251 C4H10O2S2 DB01694 D-tartaric acid small molecule experimental 147-71-7 150.0868 C4H6O6 DB01695 N-Hydroxy-4-Phosphono-Butanamide small molecule experimental 146086-80-8 181.0838 C4H8NO5P DB01697 beta-cellotriose small molecule experimental 504.4371 C18H32O16 DB01698 Rutin small molecule approved 153-18-4 610.5175 C27H30O16 DB01699 (4e)-4-Aminohex-4-Enoic Acid small molecule experimental 129.157 C6H11NO2 DB01700 AICA ribonucleotide small molecule experimental 3031-94-5 338.2112 C9H15N4O8P DB01701 1,2-Dichloro-Propane small molecule experimental 78-87-5 112.986 C3H6Cl2 DB01702 2-(3,4-Dihydroxyphenyl)Acetic Acid small molecule experimental 102-32-9 168.1467 C8H8O4 DB01703 N-(2-ferrocenylethyl)maleimide small molecule experimental 309.146 C16H15FeNO2 DB01704 2,4-Dihydroxy-Trans Cinnamic Acid small molecule experimental 614-86-8 180.1574 C9H8O4 DB01705 Bis(5-Amidino-Benzimidazolyl)Methane small molecule experimental 335.3864 C17H19N8 DB01706 2-Bromo-6-chloro-purine small molecule experimental 500797-85-3 233.453 C5H2BrClN4 DB01707 L-Alfa-Lysophosphatidylcholine, Lauroyl small molecule experimental 440.5317 C20H43NO7P DB01709 2-phospho-D-glyceric acid small molecule experimental 186.0572 C3H7O7P DB01710 Porphyrin Fe(III) small molecule experimental 364.187 C20H12FeN4 DB01711 2,3,4,5,6-Pentafluorobenzyl Alcohol small molecule experimental 440-60-8 198.0901 C7H3F5O DB01712 (3R)-4-(p-toluenesulfonyl)-1,4-thiazane-3-carboxylicacid-L-phenylalanine ethyl ester small molecule experimental 476.609 C23H28N2O5S2 DB01713 UDP-alpha-D-xylose small molecule experimental 3616-06-6 536.2758 C14H22N2O16P2 DB01714 Epsilon-N-methyllysine small molecule experimental 1188-07-4 160.2141 C7H16N2O2 DB01715 7,8-Diamino-Nonanoic Acid small molecule experimental 188.2673 C9H20N2O2 DB01716 2-propenyl-N-acetyl-neuramic acid small molecule experimental 333.3343 C14H23NO8 DB01717 Bis(Adenosine)-5'-Pentaphosphate small molecule experimental 916.3669 C20H29N10O22P5 DB01719 Thio-Maltopentaose small molecule experimental 876.915 C30H52O23S3 DB01720 (2Z)-2-(Benzoylamino)-3-[4-(2-bromophenoxy)phenyl]acrylic acid small molecule experimental 639517-90-1 438.271 C22H16BrNO4 DB01721 N-[2-hydroxy-1-indanyl]-5-[(2-tertiarybutylaminocarbonyl)-4(benzo[1,3]dioxol-5-ylmethyl)-piperazino]-4-hydroxy-2-(1-phenylethyl)-pentanamide small molecule experimental 670.851 C39H50N4O6 DB01723 {3-[3-(3,4-Dimethoxy-Phenyl)-1-(1-{1-[2-(3,4,5-Trimethoxy-Phenyl)-Butyryl]-Piperidin-2yl}-Vinyloxy)-Propyl]-Phenoxy}-Acetic Acid small molecule experimental 693.7799 C38H47NO11 DB01724 L-Threoninol small molecule experimental 3228-51-1 105.1356 C4H11NO2 DB01725 2-{2-hydroxy-[1,1'-biphenyl]-3-yl}-1H-1,3-benzodiazole-5-carboximidamide small molecule experimental 328.3672 C20H16N4O DB01726 2-Aminophenol small molecule experimental 95-55-6 109.1259 C6H7NO DB01727 Isocitric Acid small molecule experimental 320-77-4 192.1235 C6H8O7 DB01728 1,2-dihexadecanoyl-sn-glycero-3-phosphoethanolamine small molecule experimental 923-61-5 691.972 C37H74NO8P DB01729 1D-myo-inositol 1,3,4-trisphosphate small molecule experimental 420.0956 C6H15O15P3 DB01731 (S)-wiskostatin small molecule experimental 426.146 C17H18Br2N2O DB01732 (4R,5S,6S,7R)-1,3-dibenzyl-4,7-bis(phenoxymethyl)-5,6-dihydroxy-1,3 diazepan-2-one small molecule experimental 538.6335 C33H34N2O5 DB01733 L-Phospholactate small molecule experimental 170.0578 C3H7O6P DB01734 3-(Oxalyl-Amino)-Naphthalene-2-Carboxylic Acid small molecule experimental 259.2143 C13H9NO5 DB01735 3-Chloroalaninate small molecule experimental 123.538 C3H6ClNO2 DB01736 [3-(Dodecanoylamino)Propyl](Hydroxy)Dimethylammonium small molecule experimental 300.4799 C17H36N2O2 DB01737 Nalpha-(2-Naphthylsulfonylglycyl)-3-Amidino-D,L-Phenylalanine-Isopropylester small molecule experimental 133397-81-6 432.493 C20H24N4O5S DB01738 Phosphorylcolamine small molecule experimental 1071-23-4 141.063 C2H8NO4P DB01739 L-alloisoleucine small molecule experimental 1509-34-8 131.1729 C6H13NO2 DB01740 4-butyl-5-propyl-1,3-selenazol-2-amine small molecule experimental 245.22 C10H18N2Se DB01741 CRA_17693 small molecule experimental 460.414 C24H17FN4O5 DB01742 (3r)-1-Acetyl-3-Methylpiperidine small molecule experimental 141.2108 C8H15NO DB01745 N-Alpha-(2-Naphthylsulfonyl)-N(3-Amidino-L-Phenylalaninyl)Isopipecolinic Acid Methyl Ester small molecule experimental 522.616 C27H30N4O5S DB01746 D-Leucine small molecule experimental 328-38-1 131.1729 C6H13NO2 DB01747 Coprogen small molecule experimental 31418-71-0 821.683 C35H53FeN6O13 DB01748 N-Benzyl-4-Sulfamoyl-Benzamide small molecule experimental 290.338 C14H14N2O3S DB01749 1,2-Dimethoxyethane small molecule experimental 110-71-4 90.121 C4H10O2 DB01750 1-naphthaleneacetic acid small molecule experimental 86-87-3 186.2066 C12H10O2 DB01751 Tetraiodothyroacetic acid small molecule experimental 67-30-1 747.8288 C14H8I4O4 DB01752 S-adenosyl-L-homocysteine small molecule experimental 979-92-0 384.411 C14H20N6O5S DB01753 4-oxo-nicotinamide-adenine dinucleotide phosphate small molecule experimental 760.4123 C21H29N7O18P3 DB01754 3,4-Dihydroxy-1-Methylquinolin-2(1h)-One small molecule experimental 191.1834 C10H9NO3 DB01755 N-[Isoleucinyl]-N'-[adenosyl]-diaminosufone small molecule experimental 458.493 C16H26N8O6S DB01756 4-phospho-L-threonic acid small molecule experimental 216.0832 C4H9O8P DB01758 3-Iodo-Tyrosine small molecule experimental 70-78-0 307.0851 C9H10INO3 DB01759 Kojic acid small molecule experimental 501-30-4 142.1094 C6H6O4 DB01760 2-Methoxy-3-Isopropylpyrazine small molecule experimental 25773-40-4 152.1937 C8H12N2O DB01761 4-[5-[2-(1-phenyl-ethylamino)-pyrimidin-4-yl]-1-methyl-4-(3-trifluoromethylphenyl)-1H-imidazol-2-yl]-piperidine small molecule experimental 506.5653 C28H29F3N6 DB01762 Acetoacetic acid small molecule experimental 541-50-4 102.0886 C4H6O3 DB01763 7-thionicotinamide-adenine-dinucleotide phosphate small molecule experimental 759.471 C21H28N7O16P3S DB01765 (5-hydroxyindolo[1,2-a]quinazolin-7-yl)acetic acid small molecule experimental 391670-48-7 292.2888 C17H12N2O3 DB01766 Beta-(2-Naphthyl)-Alanine small molecule experimental 215.2478 C13H13NO2 DB01767 Hemi-Babim small molecule experimental 290.3226 C16H14N6 DB01768 Methylumbelliferyl sialic acid small molecule experimental 59322-44-0 467.4233 C21H25NO11 DB01771 CRA_10991 small molecule experimental 369.845 C20H20ClN3O2 DB01772 3-[3-(2,3-Dihydroxy-Propylamino)-Phenyl]-4-(5-Fluoro-1-Methyl-1h-Indol-3-Yl)-Pyrrole-2,5-Dione small molecule experimental 409.4103 C22H20FN3O4 DB01773 4-[3-carboxymethyl-3-(4-phosphonooxy-benzyl)-ureido]-4-[(3-cyclohexyl-propyl)-methyl-carbamoyl]butyric acid small molecule experimental 571.5571 C25H38N3O10P DB01774 Adenosine-5'-Monophosphate Glucopyranosyl-Monophosphate Ester small molecule experimental 589.3417 C16H25N5O15P2 DB01775 Dihydroxyacetone small molecule experimental 96-26-4 90.0779 C3H6O3 DB01776 M-Cresol small molecule experimental 108-39-4 108.1378 C7H8O DB01777 CoA-S-trimethylene-acetyl-tryptamine small molecule experimental 1009.85 C36H54N9O17P3S DB01778 8-Aminotheophylline small molecule experimental 19410-53-8 195.1787 C7H9N5O2 DB01779 Glycerol 2-phosphate small molecule experimental 17181-54-3 172.0737 C3H9O6P DB01780 Fusicoccin small molecule experimental 20108-30-9 680.8226 C36H56O12 DB01782 Pyrazolanthrone small molecule experimental 129-56-6 220.2261 C14H8N2O DB01784 4-Flourobenzenesulfonamide small molecule experimental 175.181 C6H6FNO2S DB01785 Dimethylallyl Diphosphate small molecule experimental 358-72-5 246.0921 C5H12O7P2 DB01786 D-Alanine small molecule experimental 338-69-2 89.0932 C3H7NO2 DB01788 4-Imino-5-Methidyl-2-Methylpyrimidine small molecule experimental 121.1399 C6H7N3 DB01789 1-Amino-2,3-Dihydroxy-5-Hydroxymethyl Cyclohex-5-Ene small molecule experimental 159.183 C7H13NO3 DB01790 (Rp)-cAMPS small molecule experimental 345.272 C10H12N5O5PS DB01791 Piclamilast small molecule experimental 144035-83-6 381.253 C18H18Cl2N2O3 DB01792 Adenylyl-(3'-5')-uridine 3'-monophosphate small molecule experimental 1985-21-3 653.3872 C19H25N7O15P2 DB01793 SB-409513 small molecule experimental 377.178 C17H10Cl2N2O4 DB01794 bis(molybdopterin)tungsten cofactor small molecule experimental 990.77 C20H20MgN10O12P2S4W DB01795 Phenylboronic acid small molecule experimental 98-80-6 121.93 C6H7BO2 DB01796 Quinolinic Acid small molecule experimental 89-00-9 167.1189 C7H5NO4 DB01797 (2R)-2-(aminomethyl)-2,4-dihydroxy-5-oxo-3-(2-oxoethyl)-2,5-dihydro-1H-imidazol-3-ium small molecule experimental 204.1607 C6H10N3O5 DB01798 Ethyl Dihydrogen Diphosphate small molecule experimental 206.0282 C2H8O7P2 DB01799 4-Hydroxy-3-Methyl Butyl Diphosphate small molecule experimental 264.1074 C5H14O8P2 DB01800 4-Nitrocatechol sulfate small molecule experimental 10485-66-2 235.171 C6H5NO7S DB01802 (4R)-7-Aza-7,8-dihydrolimonene small molecule experimental 139.238 C9H17N DB01803 2-(Trimethylammonium)Ethyl Thiol small molecule experimental 120.236 C5H14NS DB01804 2-Ammoniobut-3-Enoate, 2-Amino-3-Butenoate small molecule experimental 101.1039 C4H7NO2 DB01805 Monoisopropylphosphorylserine small molecule experimental 227.1522 C6H14NO6P DB01806 10-decarboxymethylaclacinomycin A small molecule experimental 753.8318 C40H51NO13 DB01807 N-[(3Z)-5-Tert-butyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-ylidene]-N'-(4-chlorophenyl)urea small molecule experimental 368.87 C20H21ClN4O DB01808 Thiarsahydroxy-Cysteine small molecule experimental 213.087 C3H8AsNO3S DB01809 1-Ter-Butyl-3-P-Tolyl-1h-Pyrazolo[3,4-D]Pyrimidin-4-Ylamine small molecule experimental 281.3556 C16H19N5 DB01810 [1-(1-Methyl-4,5-Dioxo-Pent-2-Enylcarbamoyl)-2-Phenyl-Ethyl]-Carbamic Acid Benzyl Ester small molecule experimental 408.4471 C23H24N2O5 DB01811 3h-Indole-5,6-Diol small molecule experimental 3131-52-0 149.1467 C8H7NO2 DB01812 Adenosine 3',5'-diphosphate small molecule experimental 1053-73-2 427.2011 C10H15N5O10P2 DB01813 Pyridoxyl-Glutamic Acid-5'-Monophosphate small molecule experimental 379.2797 C13H20N2O9P DB01814 2-Tridecanoyloxy-Pentadecanoic Acid small molecule experimental 454.726 C28H54O4 DB01815 Nz-(Dicarboxymethyl)Lysine small molecule experimental 248.2331 C9H16N2O6 DB01816 Castanospermine small molecule experimental 79831-76-8 189.209 C8H15NO4 DB01817 Threonine-Aspartic Ester small molecule experimental 236.2224 C8H16N2O6 DB01818 O3-Sulfonylgalactose small molecule experimental 260.219 C6H12O9S DB01819 Phosphoenolpyruvate small molecule experimental 138-08-9 168.042 C3H5O6P DB01820 2-{[4-(2-Acetylamino-2-pentylcarbamoyl-ethyl)-naphthalen-1-YL]-oxalyl-amino}-benzoic acid small molecule experimental 533.5723 C29H31N3O7 DB01821 L-N(omega)-Nitroarginine-2,4-L-diaminobutyric amide small molecule experimental 318.3329 C10H22N8O4 DB01822 (4R,5R)-1,2-dithiane-4,5-diol small molecule experimental 16096-98-3 152.235 C4H8O2S2 DB01823 Beta-D-Glucopyranose Spirohydantoin small molecule experimental 248.1901 C8H12N2O7 DB01824 (3S)-Tetrahydro-3-furanyl {(2S,3S)-4-[(2S,4R)-4-{(1S,2R)-2-[(S)-amino(hydroxy)methoxy]-2,3-dihydro-1H-inden-1-yl}-2-benzyl-3-oxo-2-pyrrolidinyl]-3-hydroxy-1-phenyl-2-butanyl}carbamate small molecule experimental 629.7425 C36H43N3O7 DB01825 2-amino-8-methyl-4(1H)-quinazolinone small molecule experimental 116836-27-2 175.1873 C9H9N3O DB01826 N-Butyl Isocyanide small molecule experimental 2769-64-4 83.1317 C5H9N DB01827 2,3,5,6-Tetrafluoro-4-Methoxy-Benzamide small molecule experimental 223.1244 C8H5F4NO2 DB01828 Methylamine small molecule experimental 74-89-5 31.0571 CH5N DB01829 Desulfo-coenzyme A small molecule experimental 5863-40-1 735.4691 C21H36N7O16P3 DB01830 AP-22408 small molecule experimental 268741-43-1 665.6082 C30H41N3O10P2 DB01831 Tryptophanyl-5'amp small molecule experimental 533.4311 C21H24N7O8P DB01832 4-[Hydroxy-[Methyl-Phosphinoyl]]-3-Oxo-Butanoic Acid small molecule experimental 180.0957 C5H9O5P DB01833 Canavanine small molecule experimental 543-38-4 176.1738 C5H12N4O3 DB01834 (9R,10R)-9-(S-glutathionyl)-10-hydroxy-9,10-dihydrophenanthrene small molecule experimental 501.552 C24H27N3O7S DB01835 4R-Fluoro-N6-ethanimidoyl-L-lysine small molecule experimental 205.233 C8H16FN3O2 DB01836 [4-(6-Chloro-Naphthalene-2-Sulfonyl)-Piperazin-1-Yl]-(3,4,5,6-Tetrahydro-2h-[1,4']Bipyridinyl-4-Yl)-Methanone small molecule experimental 499.025 C25H27ClN4O3S DB01837 O-acetyl-L-serine small molecule experimental 5147-00-2 147.1293 C5H9NO4 DB01838 6,4'-Dihydroxy-3-Methyl-3',5'-Dibromoflavone small molecule experimental 426.056 C16H10Br2O4 DB01840 2-Deoxy-D-Glucitol 6-(E)-Vinylhomophosphonate small molecule experimental 242.1636 C7H15O7P DB01841 4,6-Dideoxyglucose small molecule experimental 148.1571 C6H12O4 DB01842 3'-Phosphate-Adenosine-5'-Diphosphate small molecule experimental 507.181 C10H16N5O13P3 DB01843 (5S,7R,8S,9S,10R)-3-Amino-8,9,10-trihydroxy-7-(hydroxymethyl)-6-oxa-1,3-diazaspiro[4.5]decane-2,4-dione small molecule experimental 263.2047 C8H13N3O7 DB01844 N,N-dimethylformamide small molecule experimental 68-12-2 73.0938 C3H7NO DB01846 Oxidized coenzyme A small molecule experimental 783.534 C21H36N7O17P3S DB01847 N-Carbamyl-D-Valine small molecule experimental 160.1711 C6H12N2O3 DB01849 Dihydrouracil small molecule experimental 504-07-4 114.1026 C4H6N2O2 DB01850 (2S,3S,8S,9S)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoic acid small molecule experimental 331.4492 C20H29NO3 DB01851 Tetrabutylammonium Ion small molecule experimental 2052-49-5 242.4637 C16H36N DB01852 Kaempherol small molecule experimental 520-18-3 286.2363 C15H10O6 DB01853 Bacteriochlorophyll A small molecule experimental 17499-98-8 911.524 C55H74MgN4O6 DB01854 5-Bromonicotinamide small molecule experimental 28733-43-9 201.021 C6H5BrN2O DB01855 5-(Hydroxy-Methyl-Amino)-3-Methyl-Pyrrolidine-2-Carboxylic Acid small molecule experimental 174.1977 C7H14N2O3 DB01856 Pimelic Acid small molecule experimental 111-16-0 160.1678 C7H12O4 DB01857 Phosphoaspartate small molecule experimental 213.0826 C4H8NO7P DB01858 [1-(4-Fluorobenzyl)Cyclobutyl]Methyl (1s)-1-[Oxo(1h-Pyrazol-5-Ylamino)Acetyl]Pentylcarbamate small molecule experimental 444.4992 C23H29FN4O4 DB01859 4-CDP-2-C-methyl-D-erythritol 2-phosphate small molecule experimental 263016-95-1 601.2874 C14H26N3O17P3 DB01860 Cordycepin Triphosphate small molecule experimental 73-04-1 491.1816 C10H16N5O12P3 DB01861 Uridine diphosphate glucose small molecule experimental 133-89-1 566.3018 C15H24N2O17P2 DB01862 Isopropyl beta-D-thiogalactopyranoside small molecule experimental 367-93-1 238.301 C9H18O5S DB01863 Inositol 1,3,4,5-Tetrakisphosphate small molecule experimental 500.0755 C6H16O18P4 DB01864 5'-Guanosine-Diphosphate-Monothiophosphate small molecule experimental 37589-80-3 539.246 C10H16N5O13P3S DB01865 3-(6-Aminopyridin-3-Yl)-N-Methyl-N-[(1-Methyl-1h-Indol-2-Yl)Methyl]Acrylamide small molecule experimental 320.3883 C19H20N4O DB01866 RU79256 small molecule experimental 216.211 C8H8O5S DB01868 Glycyl-L-a-Aminopimelyl-E-(D-2-Aminoethyl)Phosphonate small molecule experimental 338.2741 C11H21N3O7P DB01870 1,4-dithio-alpha-D-glucopyranose small molecule experimental 212.287 C6H12O4S2 DB01871 [1-(1-Benzyl-3-Hydroxy-2-Oxo-Propylcarbamoyl)-2-Phenyl-Ethyl]-Carbamic Acid Benzyl Ester small molecule experimental 460.5216 C27H28N2O5 DB01872 2-deoxy-2-acetamido-beta-D-galactose-4-sulfate small molecule experimental 301.271 C8H15NO9S DB01874 Tropinone small molecule experimental 532-24-1 139.1949 C8H13NO DB01875 8-azaxanthine small molecule experimental 1468-26-4 153.0989 C4H3N5O2 DB01876 Bis(5-Amidino-2-Benzimidazolyl)Methanone small molecule experimental 346.3461 C17H14N8O DB01877 N-Hydroxy 1n(4-Methoxyphenyl)Sulfonyl-4-(Z,E-N-Methoxyimino)Pyrrolidine-2r-Carboxamide small molecule experimental 345.371 C13H19N3O6S DB01878 Benzophenone small molecule experimental 119-61-9 182.2179 C13H10O DB01879 (S)-2-{Methyl-[2-(Naphthalene-2-Sulfonylamino)-5-(Naphthalene-2-Sulfonyloxy)-Benzoyl]-Amino}-Succinicacid small molecule experimental 662.686 C32H26N2O10S2 DB01880 3,4-Dihydroxycinnamic Acid small molecule experimental 331-39-5 180.1574 C9H8O4 DB01881 2-Methylpentane-1,2,4-Triol small molecule experimental 134.1736 C6H14O3 DB01882 (2s)-2-Amino-4-(Methylsulfanyl)-1-Pyridin-2-Ylbutane-1,1-Diol small molecule experimental 228.311 C10H16N2O2S DB01883 N-(Sulfanylacetyl)Tyrosylprolylmethioninamide small molecule experimental 482.617 C21H30N4O5S2 DB01884 2-Amino-3-Methyl-1-Pyrrolidin-1-Yl-Butan-1-One small molecule experimental 170.252 C9H18N2O DB01885 D-Galctopyranosyl-1-On small molecule experimental 15892-28-1 178.14 C6H10O6 DB01887 N,N-[2,5-O-Dibenzyl-glucaryl]-DI-[1-amino-indan-2-OL] small molecule experimental 620.6894 C34H40N2O9 DB01888 4-[5-(Trans-4-Aminocyclohexylamino)-3-Isopropylpyrazolo[1,5-a]Pyrimidin-7-Ylamino]-N,N-Dimethylbenzenesulfonamide small molecule experimental 471.619 C23H33N7O2S DB01889 16,17-Androstene-3-Ol small molecule experimental 7148-51-8 274.4409 C19H30O DB01890 N,N-Bis(3-(D-gluconamido)propyl)deoxycholamide small molecule experimental 86303-23-3 862.056 C42H75N3O15 DB01891 Tl-3-093 small molecule experimental 455.5466 C25H33N3O5 DB01893 N6-Benzyl Adenosine-5'-Diphosphate small molecule experimental 517.3237 C17H21N5O10P2 DB01895 Aspartyl-Adenosine-5'-Monophosphate small molecule experimental 462.3086 C14H19N6O10P DB01896 M-Aminophenylboronic Acid small molecule experimental 136.944 C6H8BNO2 DB01897 2-(2f-Benzothiazolyl)-5-Styryl-3-(4f-Phthalhydrazidyl)Tetrazolium Chloride small molecule experimental 466.495 C24H16N7O2S DB01898 (2S,3S)-2-azanyl-3-methyl-pentanedioic acid small molecule experimental 161.1558 C6H11NO4 DB01899 Nd1-Phosphonohistidine small molecule experimental 236.1424 C6H11N3O5P DB01901 Sucrosofate small molecule experimental 57680-56-5 982.802 C12H22O35S8 DB01902 1-Ethyl-Pyrrolidine-2,5-Dione small molecule experimental 127.1412 C6H9NO2 DB01903 5-Bromo-2'-deoxyuridine 5'-(dihydrogen phosphate) small molecule experimental 51432-32-7 387.078 C9H12BrN2O8P DB01905 2-(2-Hydroxy-5-Methoxy-Phenyl)-1h-Benzoimidazole-5-Carboxamidine small molecule experimental 283.3052 C15H15N4O2 DB01906 3-(5-amino-7-hydroxy-(1,2,3)triazolo(4,5-d)pyrimidin-2-yl)benzoic acid small molecule experimental 272.2196 C11H8N6O3 DB01908 RU85493 small molecule experimental 637.6167 C32H36N3O9P DB01909 Alpha-Cyclodextrin (Cyclohexa-Amylose) small molecule experimental 10016-20-3 972.8436 C36H60O30 DB01910 Sinefungin small molecule experimental 58944-73-3 381.387 C15H23N7O5 DB01911 N-Methylmesoporphyrin small molecule experimental 142234-85-3 580.7165 C35H40N4O4 DB01912 2,2':6',2''-Terpyridine Platinum(Ii) small molecule experimental 463.805 C15H11ClN3Pt DB01915 S-Hydroxycysteine small molecule experimental 137.158 C3H7NO3S DB01917 Putrescine small molecule experimental 110-60-1 88.1515 C4H12N2 DB01918 [Methyltelluro]Acetate small molecule experimental 200.7 C3H5O2Te DB01919 Pentanal small molecule experimental 110-62-3 86.1323 C5H10O DB01920 1-O-[O-Nitrophenyl]-Beta-D-Galactopyranose small molecule experimental 301.2494 C12H15NO8 DB01921 Xylose-derived lactam oxime small molecule experimental 162.1439 C5H10N2O4 DB01922 Maltosyl-Alpha (1,4)-D-Gluconhydroximo-1,5-Lactam small molecule experimental 516.4511 C18H32N2O15 DB01923 L-Xylulose 5-Phosphate small molecule experimental 60802-29-1 230.1098 C5H11O8P DB01924 Benzhydroxamic Acid small molecule experimental 495-18-1 137.136 C7H7NO2 DB01925 2'-Chloro-Biphenyl-2,3-Diol small molecule experimental 220.652 C12H9ClO2 DB01926 Carboxymycobactin S small molecule experimental 801.661 C36H51FeN5O12 DB01927 Duroquinone small molecule experimental 527-17-3 164.2011 C10H12O2 DB01929 5-Chloryl-2,4,6-Quinazolinetriamine small molecule experimental 241.634 C8H8ClN5O2 DB01930 2,4-Dihydroxy-3,3-Dimethyl-Butyrate small molecule experimental 470-29-1 147.1491 C6H11O4 DB01931 5,7-Dichlorokynurenic acid small molecule experimental 131123-76-7 258.058 C10H5Cl2NO3 DB01932 5-Methylpyrrole small molecule experimental 616-43-3 81.1158 C5H7N DB01933 7-Hydroxystaurosporine small molecule experimental 112953-11-4 482.5304 C28H26N4O4 DB01934 Arylomycin A2 small molecule experimental 824.973 C42H60N6O11 DB01935 3-{[(1r)-1-Benzyl-2-Sulfanylethyl]Amino}-3-Oxopropanoic Acid small molecule experimental 253.317 C12H15NO3S DB01936 alpha-D-arabinofuranose small molecule experimental 37388-49-1 150.1299 C5H10O5 DB01937 Guanosine-2'-monophosphate small molecule experimental 130-50-7 363.2206 C10H14N5O8P DB01938 L-Histidine Beta Naphthylamide small molecule experimental 280.3244 C16H16N4O DB01939 5-Amidino-Benzimidazole small molecule experimental 161.1839 C8H9N4 DB01940 Balanol Analog 2 small molecule experimental 474.5051 C27H26N2O6 DB01941 LG-100268 small molecule experimental 153559-76-3 363.4926 C24H29NO2 DB01942 Formic acid small molecule experimental 64-18-6 46.0254 CH2O2 DB01944 (S)-blebbistatin small molecule experimental 292.3318 C18H16N2O2 DB01945 4-Carbamoyl-1-Beta-D-Ribofuranosyl-Imidazolium-5-Olate-5'-Phosphate small molecule experimental 337.18 C9H12N3O9P DB01946 Bisindolylmaleimide VIII small molecule experimental 125313-65-7 398.4571 C24H22N4O2 DB01947 RU78262 small molecule experimental 202.1012 C7H7O5P DB01948 1-(2,6-Dichlorophenyl)-5-(2,4-Difluorophenyl)-7-Piperidin-4-Yl-3,4-Dihydroquinolin-2(1h)-One small molecule experimental 487.368 C26H22Cl2F2N2O DB01949 2-Amino-N,3,3-Trimethylbutanamide small molecule experimental 144.2147 C7H16N2O DB01950 AR-AO-14418 small molecule experimental 487021-52-3 308.313 C12H12N4O4S DB01951 Gpi-1046 small molecule experimental 360.4473 C20H28N2O4 DB01952 1,N6-Ethenoadenine small molecule experimental 13875-63-3 159.1481 C7H5N5 DB01953 Inhibitor of P38 Kinase small molecule experimental 222.2851 C15H14N2 DB01955 1,4-Butanediol small molecule experimental 110-63-4 90.121 C4H10O2 DB01957 3-Chlorophenol small molecule experimental 108-43-0 128.556 C6H5ClO DB01958 5-[4-Tert-Butylphenylsulfanyl]-2,4-Quinazolinediamine small molecule experimental 324.443 C18H20N4S DB01959 3,5-Dimethyl-1-(3-Nitrophenyl)-1h-Pyrazole-4-Carboxylic Acid Ethyl Ester small molecule experimental 289.2866 C14H15N3O4 DB01960 7-methyl-7,8-dihydroguanosine-5'-diphosphate small molecule experimental 104809-16-7 459.243 C11H19N5O11P2 DB01961 Cytidine 3'-monophosphate small molecule experimental 84-52-6 323.1965 C9H14N3O8P DB01962 Phosphonotyrosine small molecule experimental 21820-51-9 261.1684 C9H12NO6P DB01963 Phenylethane Boronic Acid small molecule experimental 34420-17-2 149.983 C8H11BO2 DB01964 AL5424 small molecule experimental 390.455 C13H14N2O6S3 DB01965 2'-Deoxyuridine 5'-alpha,beta-imido-triphosphate small molecule experimental 467.1569 C9H16N3O13P3 DB01966 Di-Stearoyl-3-Sn-Phosphatidylethanolamine small molecule experimental 748.0654 C41H82NO8P DB01967 N-{3-[(7ar,12as,12bs)-7-Oxo-1,3,4,6,7,7a,12a,12b-Octahydroindolo[2,3-a]Quinolizin-12(2h)-Yl]Propyl}Propane-2-Sulfonamide small molecule experimental 403.538 C21H29N3O3S DB01968 2-Thioethenamine small molecule experimental 75.133 C2H5NS DB01969 Trifluoroacetonyl coenzyme A small molecule experimental 877.569 C24H37F3N7O17P3S DB01970 Hg9a-9, Nonanoyl-N-Hydroxyethylglucamide small molecule experimental 365.4623 C17H35NO7 DB01971 trans-urocanic acid small molecule experimental 3465-72-3 138.124 C6H6N2O2 DB01972 Guanosine-5'-Monophosphate small molecule experimental 85-32-5 363.2206 C10H14N5O8P DB01973 O-Benzylsulfonyl-Serine small molecule experimental 259.279 C10H13NO5S DB01974 2-Amino-3-[5-(Amino-Carboxy-Methyl)-2,3-Dihydro-Isoxazol-3-Ylsulfanyl]-Propionic Acid small molecule experimental 263.271 C8H13N3O5S DB01975 AMPCPR small molecule experimental 557.3429 C16H25N5O13P2 DB01976 Aminoanthracene small molecule experimental 62813-37-0 193.2438 C14H11N DB01977 6-(N-Phenylcarbamyl)-2-Naphthalenecarboxamidine small molecule experimental 289.3312 C18H15N3O DB01978 7,9-Dimethylguanine small molecule experimental 55235-22-8 184.219 C7H14N5O DB01979 Methyl alpha-D-mannoside small molecule experimental 25281-48-5 194.1825 C7H14O6 DB01980 Para-Iodo-D-Phenylalanine Hydroxamic Acid small molecule experimental 306.1003 C9H11IN2O2 DB01981 3,6-Anhydro-2-(hydrogen sulfate)-alpha-D-galactopyranose small molecule experimental 96519-18-5 242.204 C6H10O8S DB01982 D-Mannuronic Acid small molecule experimental 1986-14-7 194.1394 C6H10O7 DB01983 2(S)-Amino-6-Boronohexanoic Acid small molecule experimental 191.998 C6H15BNO5 DB01984 (4S)-5-[[(1S)-1-Carboxy-2-cyclohexylethyl]amino]-4-[[(2S)-2-[[(3R)-4-cyclohexyl-2-oxo-3-(phenylmethoxycarbonylamino)butanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-oxopentanoic acid small molecule experimental 771.9001 C38H57N7O10 DB01985 N-acetyl-L-arginine small molecule experimental 155-84-0 216.2376 C8H16N4O3 DB01986 3-Fluoro-2-Methyl-Aniline small molecule experimental 125.1435 C7H8FN DB01987 Cocarboxylase small molecule approved 136-08-3 424.306 C12H18N4O7P2S DB01988 6((S)-3-Benzylpiperazin-1-Yl)-3-(Naphthalen-2-Yl)-4-(Pyridin-4-Yl)Pyrazine small molecule experimental 457.5689 C30H27N5 DB01989 Methyl N-{[(1R)-1-({1-[(benzyloxy)carbonyl]-L-prolyl-6-ammonio-L-norleucyl}amino)-2-phenylethyl](hydroxy)phosphoryl}-L-alanyl-L-prolinate small molecule experimental 743.8066 C36H52N6O9P DB01990 Cholesterol sulfate small molecule experimental 1256-86-6 466.717 C27H46O4S DB01991 TU-514 small molecule experimental 431.5634 C22H41NO7 DB01993 N-(5'-Phosphopyridoxyl)-D-Alanine small molecule experimental 320.2356 C11H17N2O7P DB01994 2-(Pyrido[1,2-E]Purin-4-Yl)Amino-Ethanol small molecule experimental 229.2379 C11H11N5O DB01995 5-methylcytidine 5'-monophosphate small molecule experimental 3590-36-1 337.2231 C10H16N3O8P DB01996 3-Methylpyridine small molecule experimental 108-99-6 93.1265 C6H7N DB01997 3-Bromo-7-Nitroindazole small molecule experimental 242.03 C7H4BrN3O2 DB01998 2-[3,4-Dihydroxy-2-Hydroxymethyl-5-(2-Hydroxy-Nonyl)-Tetrahydro-Furan-2-Yloxy]-6-Hydroxymethyl-Tetra Hydro-Pyran-3,4,5-Triol small molecule experimental 454.5091 C20H38O11 DB01999 5,10,15,20-Tetrakis(4-Sulpfonatophenyl)-21h,23h-Porphine small molecule experimental 939.02 C44H34N4O12S4 DB02001 5-(4-Morpholin-4-Yl-Phenylsulfanyl)-2,4-Quinazolinediamine small molecule experimental 353.441 C18H19N5OS DB02002 2-Aminoprop-2-Enamide small molecule experimental 86.0925 C3H6N2O DB02004 5-(Aminomethyl)-6-(2,4-Dichlorophenyl)-2-(3,5-Dimethoxyphenyl)Pyrimidin-4-Amine small molecule experimental 405.278 C19H18Cl2N4O2 DB02005 2-Oxo-3-Pentenoic Acid small molecule experimental 114.0993 C5H6O3 DB02006 Br-Coeleneterazine small molecule experimental 520.375 C26H22BrN3O4 DB02007 alpha-D-glucose 6-phosphate small molecule experimental 15209-11-7 260.1358 C6H13O9P DB02008 1-(2-Fluorobenzyl)-3-Butyl-8-(N-Acetyl-4-Aminobenzyl)-Xanthine small molecule experimental 463.504 C25H26FN5O3 DB02009 L-756423 small molecule experimental 216863-66-0 652.836 C39H48N4O5 DB02010 Staurosporine small molecule experimental 62996-74-1 466.531 C28H26N4O3 DB02011 N-(Phosphonoacetyl)-L-Ornithine small molecule experimental 63446-55-9 254.1776 C7H15N2O6P DB02013 Iron azide hydrate small molecule experimental 171.727 Fe2H2N3O DB02014 5-(2-Fluoro-5-{(1E)-3-[3-hydroxy-2-(methoxycarbonyl)phenoxy]-1-propen-1-yl}phenyl)-1,2-oxazole-3-carboxylic acid small molecule experimental 413.3526 C21H16FNO7 DB02015 Dihydrofolic Acid small molecule experimental 4033-27-6 443.4133 C19H21N7O6 DB02016 R048-8071 small molecule experimental 161582-11-2 448.368 C23H27BrFNO2 DB02017 Imidazole-Derived Cellobiose small molecule experimental 362.3325 C14H22N2O9 DB02018 Amido Phenyl Pyruvic Acid small molecule experimental 206.198 C10H10N2O3 DB02019 Acetyl Dithranol small molecule experimental 284.2635 C16H12O5 DB02020 Alrestatin small molecule experimental 51411-04-2 255.2256 C14H9NO4 DB02021 Fidarestat small molecule experimental 136087-85-9 279.2239 C12H10FN3O4 DB02022 4-Amino-5-Hydroxymethyl-2-Methylpyrimidine small molecule experimental 73-67-6 139.1552 C6H9N3O DB02023 8-oxo-dGMP small molecule experimental 127027-50-3 363.2206 C10H14N5O8P DB02024 3-phenylpropionic acid small molecule experimental 501-52-0 150.1745 C9H10O2 DB02025 ACV tripeptide small molecule experimental 32467-88-2 363.43 C14H25N3O6S DB02026 Furo[2,3d]Pyrimidine Antifolate small molecule experimental 442.4253 C20H22N6O6 DB02027 N-{(4S)-4-Amino-5-[(2-aminoethyl)amino]pentyl}-N'-nitroguanidine small molecule experimental 357965-98-1 247.298 C8H21N7O2 DB02028 (1R,2R,3S,4R,6S)-3,4,6-Trihydroxy-5-{[(S)-hydroxy(3-hydroxy-2-oxopropoxy)phosphoryl]oxy}-1,2-cyclohexanediyl bis[dihydrogen (phosphate)] small molecule experimental 492.1582 C9H19O17P3 DB02029 N-Cyclohexyl-N'-(4-Iodophenyl)Urea small molecule experimental 344.1914 C13H17IN2O DB02030 Alpha-Ribazole-5'-Phosphate small molecule experimental 358.2836 C14H19N2O7P DB02031 (6S)-5,6,7,8-tetrahydrofolic acid small molecule experimental 135-16-0 445.4292 C19H23N7O6 DB02032 Epicaptopril small molecule experimental 63250-36-2 217.285 C9H15NO3S DB02033 N-(3-Cyclopropyl(5,6,7,8,9,10-Hexahydro-2-Oxo-2h-Cycloocta[B]Pyran-3-Yl)Methyl)Phenylbenzensulfonamide small molecule experimental 479.588 C27H29NO5S DB02034 Tridolgosir small molecule experimental 72741-87-8 173.2096 C8H15NO3 DB02035 Hexadecanesulfonyl fluoride small molecule experimental 86855-26-7 308.495 C16H33FO2S DB02036 2-(3,4-Dihydro-3-Oxo-2h-Benzo[B][1,4]Thiazin-2-Yl)-N-Hydroxyacetamide small molecule experimental 238.263 C10H10N2O3S DB02037 2,5-Diaminopyrimidin-4,6-diol small molecule experimental 102783-67-5 142.116 C4H6N4O2 DB02038 D-[3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl]-N,O-cycloserylamide small molecule experimental 333.2344 C11H16N3O7P DB02039 S-Acetyl-Cysteine small molecule experimental 163.195 C5H9NO3S DB02041 Isoluminol small molecule experimental 177.1601 C8H7N3O2 DB02042 2-(2-{2-[2-(2-Methoxy-Ethoxy)-Ethoxy]-Ethoxy}-Ethoxy)-Ethanol small molecule experimental 252.3047 C11H24O6 DB02043 1,2-Dipalmitoyl-Phosphatidyl-Glycerole small molecule experimental 722.982 C38H75O10P DB02044 N-[3-(aminomethyl)benzyl]acetamidine small molecule experimental 177.2462 C10H15N3 DB02045 Amylamine small molecule experimental 110-58-7 87.1634 C5H13N DB02046 N-[(Furan-2-Yl)Carbonyl]-(S)-Leucyl-(R)-[1-Amino-2(1h-Indol-3-Yl)Ethyl]-Phosphonic Acid small molecule experimental 447.4214 C21H26N3O6P DB02047 (+)-2-(4-biphenyl)propionic acid small molecule experimental 10532-14-6 226.2705 C15H14O2 DB02048 1,2,4-Triazole-Carboxamidine small molecule experimental 112.1132 C3H6N5 DB02049 2-{4-[4-(4-Chloro-Phenoxy)-Benzenesulfonyl]-Tetrahydro-Pyran-4-Yl}-N-Hydroxy-Acetamide small molecule experimental 425.883 C19H20ClNO6S DB02051 4-Nitrophenyl (3S)-3-({N-[(benzyloxy)carbonyl]-L-phenylalanyl}amino)-5-phenyl-1-pentanesulfonate small molecule experimental 645.722 C34H35N3O8S DB02052 Indirubin-3'-monoxime small molecule experimental 277.2774 C16H11N3O2 DB02053 Ribose-5-phosphate small molecule experimental 4151-19-3 230.1098 C5H11O8P DB02054 Gabaculine small molecule experimental 87980-11-8 137.136 C7H7NO2 DB02055 N-Butyl-Benzenesulfonamide small molecule experimental 3622-84-2 213.297 C10H15NO2S DB02057 (S)-AMPA small molecule experimental 83643-88-3 186.1653 C7H10N2O4 DB02058 3-[4-(1-formylpiperazin-4-yl)-benzylidenyl]-2-indolinone small molecule experimental 335.3996 C20H21N3O2 DB02059 Adenosine-5-Diphosphoribose small molecule experimental 559.3157 C15H23N5O14P2 DB02060 Cyclohexanone small molecule experimental 108-94-1 98.143 C6H10O DB02061 Cellobiose small molecule experimental 528-50-7 342.297 C12H22O11 DB02062 N-[3-[(1-Aminoethyl)(Hydroxy)Phosphoryl]-2-(1,1'-Biphenyl-4-Ylmethyl)Propanoyl]Alanine small molecule experimental 418.4232 C21H27N2O5P DB02063 CRA_16847 small molecule experimental 445.224 C18H13BrN4O5 DB02065 4-Deoxylactose small molecule experimental 326.2971 C12H22O10 DB02066 N7-Methyl-Formycin A small molecule experimental 281.2679 C11H15N5O4 DB02067 Triglu-5-formyl-tetrahydrofolate small molecule experimental 731.6673 C30H37N9O13 DB02068 Delta-Amino Valeric Acid small molecule experimental 118.1543 C5H12NO2 DB02069 N-(2-Flouro-Benzyl)-4-Sulfamoyl-Benzamide small molecule experimental 308.328 C14H13FN2O3S DB02070 Kynurenine small molecule experimental 2922-83-0 208.2139 C10H12N2O3 DB02071 WAY-151693 small molecule experimental 427.474 C21H21N3O5S DB02072 2-(Oxalyl-Amino)-4,7-Dihydro-5h-Thieno[2,3-C]Thiopyran-3-Carboxylic Acid small molecule experimental 287.312 C10H9NO5S2 DB02073 Biliverdine IX Alpha small molecule experimental 114-25-0 582.657 C33H34N4O6 DB02074 Butenoic Acid small molecule experimental 107-93-7 86.0892 C4H6O2 DB02075 [(2R,3R,4S,5S)-3,4-Dihydroxy-5-(4-oxo-4,5-dihydro-1H-pyrrolo[3,2-d]pyrimidin-7-yl)-2-pyrrolidinyl]methyl dihydrogen phosphate small molecule experimental 346.2332 C11H15N4O7P DB02076 6-phospho-D-gluconic acid small molecule experimental 921-62-0 276.1352 C6H13O10P DB02077 L-N(omega)-nitroarginine-(4R)-amino-L-proline amide small molecule experimental 330.3436 C11H22N8O4 DB02078 Triglyme small molecule experimental 112-49-2 178.2261 C8H18O4 DB02079 Aminooxyacetic acid small molecule experimental 645-88-5 91.066 C2H5NO3 DB02080 1-{2-[2-(2-Methoxyethoxy)Ethoxy]Ethoxy}-4-(1,1,3,3-Tetramethylbutyl)Benzene small molecule experimental 352.5081 C21H36O4 DB02081 Bis-Benzamidine small molecule experimental 376.4946 C23H28N4O DB02082 Phosphoaminophosphonic acid guanylate ester small molecule experimental 34273-04-6 522.1957 C10H17N6O13P3 DB02083 N,N-dimethylglycine small molecule experimental 1118-68-9 103.1198 C4H9NO2 DB02084 CRA_17312 small molecule experimental 472.4495 C25H20N4O6 DB02085 1-Aminocyclopropanecarboxylic Acid small molecule experimental 22059-21-8 101.1039 C4H7NO2 DB02086 (3,4-Dihydroxy-Phenyl)-Triphenyl-Arsonium small molecule experimental 415.336 C24H20AsO2 DB02087 3,5-Difluorobenzenesulfonamide small molecule experimental 193.171 C6H5F2NO2S DB02088 Norleucine Phosphonate small molecule experimental 167.1433 C5H14NO3P DB02089 CP-526423 small molecule experimental 503.378 C24H24Cl2N4O4 DB02090 A Disubstituted Succinyl Caprolactam Hydroxymate Mmp3inhibitor small molecule experimental 415.5243 C20H37N3O6 DB02091 4-(2,4-Dimethyl-Thiazol-5-Yl)-Pyrimidin-2-Ylamine small molecule experimental 206.267 C9H10N4S DB02092 Cholesteryl Linoleate small molecule experimental 604-33-1 649.0837 C45H76O2 DB02093 5-phospho-D-arabinohydroxamic acid small molecule experimental 261.1238 C5H12NO9P DB02094 N-2-Thiophen-2-Yl-Acetamide Boronic Acid small molecule experimental 199.035 C7H10BNO3S DB02095 Isatin small molecule experimental 91-56-5 147.1308 C8H5NO2 DB02096 FR221647 small molecule experimental 256461-28-6 259.3037 C14H17N3O2 DB02097 Cytidine small molecule experimental 65-46-3 243.2166 C9H13N3O5 DB02098 Adenosine-2'-5'-Diphosphate small molecule experimental 427.2011 C10H15N5O10P2 DB02099 S-azabisabolene small molecule experimental 208.3629 C14H26N DB02100 Methyl alpha-galactoside small molecule experimental 34004-14-3 194.1825 C7H14O6 DB02101 (S,R)-fidarestat small molecule experimental 279.2239 C12H10FN3O4 DB02102 Mozenavir small molecule experimental 174391-92-5 536.6639 C33H36N4O3 DB02103 2-Chlorodideoxyadenosine small molecule experimental 114849-58-0 269.688 C10H12ClN5O2 DB02104 2,4-Diamino-5-Methyl-6-[(3,4,5-Trimethoxy-N-Methylanilino)Methyl]Pyrido[2,3-D]Pyrimidine small molecule experimental 384.4323 C19H24N6O3 DB02105 3,5-Dinitrocatechol small molecule experimental 7659-29-2 200.1058 C6H4N2O6 DB02106 [3,5-Dibromo-4-(4-Hydroxy-3-Phenethylcarbamoyl-Phenoxy)-Phenyl]-Acetic Acid small molecule experimental 553.24 C23H23Br2NO5 DB02107 Leucine - Reduced Carbonyl small molecule experimental 101.19 C6H15N DB02108 2-Aminoethanimidic Acid small molecule experimental 58.0824 C2H6N2 DB02109 Hadacidin small molecule experimental 689-13-4 119.0761 C3H5NO4 DB02110 Protoporphyrin Ix Containing Co small molecule experimental 619.5755 C34H32CoN4O4 DB02111 3-hydroxyisoxazole-4-carboxylic acid small molecule experimental 129.0709 C4H3NO4 DB02112 Zk-806450 small molecule experimental 489.6107 C31H31N5O DB02113 6-Methylpurine small molecule experimental 2004-03-7 134.1386 C6H6N4 DB02114 Cumidine small molecule experimental 99-88-7 135.2062 C9H13N DB02115 Daidzin small molecule experimental 552-66-9 416.3781 C21H20O9 DB02116 Olomoucine small molecule experimental 101622-51-9 298.343 C15H18N6O DB02118 CP-271485 small molecule experimental 35580-46-2 372.438 C19H20N2O4S DB02119 6-Hydroxymethyl-7,8-Dihydropterin small molecule experimental 3672-03-5 195.1787 C7H9N5O2 DB02120 6-Amino-4-Hydroxymethyl-Cyclohex-4-Ene-1,2,3-Triol small molecule experimental 38231-86-6 175.1824 C7H13NO4 DB02121 Butyramide small molecule experimental 541-35-5 87.1204 C4H9NO DB02122 4-iodo-acetamido phenylboronic acid small molecule experimental 304.877 C8H9BINO3 DB02123 Glycochenodeoxycholic Acid small molecule experimental 640-79-9 449.6233 C26H43NO5 DB02124 (2s,3s)-Trans-2,3-Dihydro-3-Hydroxyanthranilic Acid small molecule experimental 155.1513 C7H9NO3 DB02125 Adamantanone small molecule experimental 700-58-3 150.2176 C10H14O DB02126 4-Carboxycinnamic Acid small molecule experimental 192.1681 C10H8O4 DB02127 Diisopropyl methylphosphonate small molecule experimental 1445-75-6 180.1818 C7H17O3P DB02128 [1-(3-hydroxy-2-oxo-1-phenethyl-propylcarbamoyl)2-phenyl-ethyl]-carbamic acid pyridin-4-ylmethyl ester small molecule experimental 475.5363 C27H29N3O5 DB02129 Dihydroorotic Acid small molecule experimental 155-54-4 158.1121 C5H6N2O4 DB02130 Vanillic acid small molecule experimental 121-34-6 167.1388 C8H7O4 DB02131 N-1-methylheptylformamide small molecule experimental 157.2533 C9H19NO DB02132 Zenarestat small molecule experimental 112733-06-9 441.636 C17H11BrClFN2O4 DB02133 Chlorophyll A small molecule experimental 479-61-8 893.509 C55H72MgN4O5 DB02134 Xanthine small molecule experimental 69-89-6 152.1109 C5H4N4O2 DB02135 1-deoxy-1-{2,6,8-trioxo-7-[4-(phosphonooxy)butyl]-1,2,3,6,7,8-hexahydro-9H-purin-9-yl}-D-arabinitol small molecule experimental 454.3264 C14H23N4O11P DB02136 Cephalosporin analog small molecule experimental 750.773 C32H42N6O13S DB02137 Molybdenum cofactor small molecule experimental 872689-63-9 519.26 C10H10MoN5O8PS2 DB02138 Diethyl 4-Methylbenzylphosphonate small molecule experimental 3762-25-2 242.2512 C12H19O3P DB02139 (2e)-N-Allyl-4-{[3-(4-Bromophenyl)-5-Fluoro-1-Methyl-1h-Indazol-6-Yl]Oxy}-N-Methyl-2-Buten-1-Amine small molecule experimental 444.34 C22H23BrFN3O DB02140 N1-(1-Dimethylcarbamoyl-2-Phenyl-Ethyl)-2-Oxo-N4-(2-Pyridin-2-Yl-Ethyl)-Succinamide small molecule experimental 410.4662 C22H26N4O4 DB02141 S,S'-(1,4-Phenylene-Bis(1,2-Ethanediyl))Bis-Isothiourea small molecule experimental 282.428 C12H18N4S2 DB02142 Pyridoxamine-5'-Phosphate small molecule experimental 529-96-4 248.173 C8H13N2O5P DB02143 1-hydroxy-2-isopropylguanidine small molecule experimental 478806-77-8 117.1496 C4H11N3O DB02144 1,2-diacyl-sn-glycero-3-phosphoinositol small molecule experimental 836.0613 C43H80O13P DB02145 Butyl alcohol small molecule experimental 71-36-3 74.1216 C4H10O DB02146 Glutathione S-atrazine small molecule experimental 24429-05-8 486.546 C18H30N8O6S DB02147 Cyclo-Tetrametavanadate small molecule experimental 395.7588 O12V4 DB02148 3-Amino-4-Oxybenzyl-2-Butanone small molecule experimental 193.2423 C11H15NO2 DB02151 Methionine Phosphonate small molecule experimental 185.182 C4H12NO3PS DB02152 K-252a small molecule experimental 97161-97-2 467.4727 C27H21N3O5 DB02153 3-sulfino-L-alanine small molecule experimental 1115-65-7 153.157 C3H7NO4S DB02154 2,3-Bis-Benzo[1,3]Dioxol-5-Ylmethyl-Succinic Acid small molecule experimental 386.3521 C20H18O8 DB02155 3-[(3-sec-butyl-4-hydroxybenzoyl)amino]azepan-4-yl 4-(2-hydroxy-5-methoxybenzoyl)benzoate small molecule experimental 560.6374 C32H36N2O7 DB02156 Sulfopyruvate small molecule experimental 98022-26-5 168.125 C3H4O6S DB02158 (2S,3S,4R,5S)-2-(4-Amino-4,5-dihydro-1H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-[(methylsulfanyl)methyl]-3,4-pyrrolidinediol small molecule experimental 297.377 C12H19N5O2S DB02159 (R)-Propylene glycol small molecule experimental 4254-14-2 76.0944 C3H8O2 DB02160 S-Butyryl-Cystein small molecule experimental 191.248 C7H13NO3S DB02161 Hydroxy-Phenyl-Acetic Acid 8-Methyl-8-Aza-Bicyclo[3.2.1]Oct-3-Yl Ester small molecule experimental 275.3428 C16H21NO3 DB02162 5'-O-(N-Ethyl-Sulfamoyl)Adenosine small molecule experimental 374.373 C12H18N6O6S DB02163 2,5-Xylidine small molecule experimental 95-78-3 121.1796 C8H11N DB02164 N-sulfo-flavin mononucleotide small molecule experimental 536.407 C17H21N4O12PS DB02165 Zinc trihydroxide small molecule experimental 119.43 H6O3Zn DB02166 Propidium small molecule experimental 36015-30-2 414.5857 C27H34N4 DB02167 N,N-Dimethyl-L-Alanine small molecule experimental 117.1463 C5H11NO2 DB02168 6-bromopurine small molecule experimental 767-69-1 199.008 C5H3BrN4 DB02169 9,10-Deepithio-9,10-Didehydroacanthifolicin small molecule experimental 78111-17-8 805.0029 C44H68O13 DB02170 1,8-Di-Hydroxy-4-Nitro-Xanthen-9-One small molecule experimental 273.1978 C13H7NO6 DB02172 2,5-Dideoxy-2,5-Imino-D-Glucitol small molecule experimental 163.1717 C6H13NO4 DB02173 Co(III)-(Deuteroporphyrin IX) small molecule experimental 567.5009 C30H28CoN4O4 DB02174 D-Glutamine small molecule experimental 5959-95-5 146.1445 C5H10N2O3 DB02175 Malonic acid small molecule experimental 141-82-2 104.0615 C3H4O4 DB02176 Mercury Acetate Ion small molecule experimental 259.63 C2H3HgO2 DB02177 1-Acetyl-4-(4-{4-[(2-Ethoxyphenyl)Thio]-3-Nitrophenyl}Pyridin-2-Yl)Piperazine small molecule experimental 478.563 C25H26N4O4S DB02178 Phenylacetaldehyde small molecule experimental 122-78-1 120.1485 C8H8O DB02179 O-Trifluoromethylphenyl Anthranilic Acid small molecule experimental 281.2299 C14H10F3NO2 DB02180 Myristoyl-Coa small molecule experimental 3130-72-1 977.89 C35H62N7O17P3S DB02181 2'-Deoxyguanosine-5'-Triphosphate small molecule experimental 2564-35-4 507.181 C10H16N5O13P3 DB02182 Hybrid Between B and C Type Hemes (Protoporphyrin Ixcontaining Fe) small molecule experimental 618.503 C34H34FeN4O4 DB02183 Adenosine-5'-ditungstate small molecule experimental 732.94 C10H15N5O10W2 DB02184 D-1,4-dithiothreitol small molecule experimental 154.251 C4H10O2S2 DB02185 2,4-Dihydroxy-7-(Methyloxy)-2h-1,4-Benzoxazin-3(4h)-One small molecule experimental 211.1715 C9H9NO5 DB02186 N-Acetyl-D-Galactosamine 6-Sulfate small molecule experimental 157296-99-6 301.271 C8H15NO9S DB02187 Equilin small molecule experimental 474-86-2 268.3502 C18H20O2 DB02188 N-Methylmesoporphyrin Containing Copper small molecule experimental 643.255 C35H39CuN4O4 DB02189 2',3'-Dideoxyadenosine triphosphate small molecule experimental 24027-80-3 475.1822 C10H16N5O11P3 DB02190 (S)-oxalosuccinic acid small molecule experimental 190.1076 C6H6O7 DB02191 (7as,12ar,12bs)-1,2,3,4,7a,12,12a,12b-Octahydroindolo[2,3-a]Quinolizin-7(6h)-One small molecule experimental 240.3003 C15H16N2O DB02192 Phenylethyl alcohol small molecule experimental 60-12-8 122.1644 C8H10O DB02194 8-Benzyl-2-Hydroxy-2-(4-Hydroxy-Benzyl)-6-(4-Hydroxy-Phenyl)-2h-Imidazo[1,2-a]Pyrazin-3-One small molecule experimental 439.4626 C26H21N3O4 DB02195 3-(4-Fluorophenyl)-1-Hydroxy-2-(Pyridin-4-Yl)-1h-Pyrrolo[3,2-B]Pyridine small molecule experimental 305.3058 C18H12FN3O DB02196 Uridine-Diphosphate-N-Acetylgalactosamine small molecule experimental 607.3537 C17H27N3O17P2 DB02197 4-[(4-Imidazo[1,2-a]Pyridin-3-Ylpyrimidin-2-Yl)Amino]Benzenesulfonamide small molecule experimental 366.397 C17H14N6O2S DB02198 2-Bromoacetyl Group small molecule experimental 79-08-3 138.948 C2H3BrO2 DB02199 1,3-Dedimethyl-1,3-Divinyl Heme small molecule experimental 640.509 C36H32FeN4O4 DB02200 3-[N-[benzyloxycarbonyl]-phenylalaninyl-amino]-5-phenyl-pentane-1-sulfonylmethylbenzene small molecule experimental 598.752 C35H38N2O5S DB02201 Malonate Ion small molecule experimental 102.0456 C3H2O4 DB02202 (S)-butane-1,3-diol small molecule experimental 24621-61-2 90.121 C4H10O2 DB02203 Acetone Cyanohydrin small molecule experimental 75-86-5 85.1045 C4H7NO DB02205 (+)-Rutamarin alcohol small molecule experimental 14755-47-6 314.3756 C19H22O4 DB02207 7-Nitroindazole small molecule experimental 2942-42-9 163.1335 C7H5N3O2 DB02209 Pyridoxine phosphate small molecule experimental 447-05-2 249.1577 C8H12NO6P DB02210 Hexane-1,6-Diol small molecule experimental 629-11-8 118.1742 C6H14O2 DB02211 (R)-N-methyl-N-2-propynyl-1-indanamine small molecule experimental 124192-87-6 185.2649 C13H15N DB02213 Metanitrophenyl-Alpha-D-Galactoside small molecule experimental 301.2494 C12H15NO8 DB02214 6,7-dioxo-5H-8-ribitylaminolumazine small molecule experimental 330.2509 C11H14N4O8 DB02215 Furoyl-Leucine small molecule experimental 225.2411 C11H15NO4 DB02216 S-Methylcysteine small molecule experimental 1187-84-4 135.185 C4H9NO2S DB02217 Dpb-T small molecule experimental 410.3151 C17H19N2O8P DB02218 N-[4-hydroxymethyl-cyclohexan-6-yl-1,2,3-triol]-4,6-dideoxy-4-aminoglucopyranoside small molecule experimental 321.3236 C13H23NO8 DB00212 Remikiren small molecule experimental 126222-34-2 630.838 C33H50N4O6S DB00234 Reboxetine small molecule approved 71620-89-8 313.397 C19H23NO3 DB02219 3-(cyclohexylamino)propanesulfonic acid small molecule experimental 1135-40-6 221.317 C9H19NO3S DB02220 AL7089A small molecule experimental 220402-83-5 403.497 C14H17N3O5S3 DB02221 4-(Aminosulfonyl)-N-[(2,4,6-Trifluorophenyl)Methyl]-Benzamide small molecule experimental 344.309 C14H11F3N2O3S DB02222 2,6-Diamino-(S)-9-[2-(Phosphonomethoxy)Propyl]Purine small molecule experimental 300.2111 C9H13N6O4P DB02223 LY231514 tetra glu small molecule experimental 814.7526 C35H42N8O15 DB02224 Taxifolin small molecule experimental 480-18-2 304.2516 C15H12O7 DB02225 1,2-Di-N-Pentanoyl-Sn-Glycero-3-Dithiophosphocholine small molecule experimental 457.585 C18H36NO6PS2 DB02226 3,8-Diamino-6-Phenyl-5-[6-[1-[2-[(1,2,3,4-Tetrahydro-9-Acridinyl)Amino]Ethyl]-1h-1,2,3-Triazol-4-Yl]Hexyl]-Phenanthridinium small molecule experimental 661.8603 C42H45N8 DB02227 4,5-Dihydroxy-Tetrahydro-Pyran-2-Carboxylic Acid small molecule experimental 162.1406 C6H10O5 DB02228 2-deoxy-2-fluoro-ฆย-D-galactose small molecule experimental 182.1469 C6H11FO5 DB02229 5'-O-[(L-methionyl)-sulphamoyl]adenosine small molecule experimental 479.532 C15H25N7O7S2 DB02230 Immucillin-G small molecule experimental 281.2679 C11H15N5O4 DB02232 1,2-Dihydroxybenzene small molecule experimental 120-80-9 110.1106 C6H6O2 DB02233 6-hydroxy-D-norleucine small molecule experimental 147.1723 C6H13NO3 DB02234 S-Ethylisothiourea small molecule experimental 2986-20-1 104.174 C3H8N2S DB02235 L-methionine (R)-S-oxide small molecule experimental 62697-73-8 165.211 C5H11NO3S DB02236 Glycinamide Ribonucleotide small molecule experimental 286.1764 C7H15N2O8P DB02237 Maltotetraose small molecule experimental 34612-38-9 666.579 C24H42O21 DB02238 4-methylthio-2-oxobutanoic acid small molecule experimental 583-92-6 148.18 C5H8O3S DB02239 Laevulinic Acid small molecule experimental 123-76-2 116.1152 C5H8O3 DB02240 Quinacrine mustard small molecule experimental 64046-79-3 468.85 C23H28Cl3N3O DB02241 8-Benzyl-2-Hydroperoxy-2-(4-Hydroxy-Benzyl)-6-(4-Hydroxy-Phenyl)-2h-Imidazo[1,2-a]Pyrazin-3-One small molecule experimental 455.462 C26H21N3O5 DB02242 Cyclohexanepropanoic acid small molecule experimental 701-97-3 156.2221 C9H16O2 DB02243 4-Morpholin-4-Yl-Piperidine-1-Carboxylic Acid [1-(3-Benzenesulfonyl-1-Propyl-Allylcarbamoyl)-2-Phenylethyl]-Amide small molecule experimental 582.754 C31H42N4O5S DB02245 7-Deazaguanine small molecule experimental 7355-55-7 150.138 C6H6N4O DB02247 Hydrolyzed Cephalothin small molecule experimental 356.417 C14H16N2O5S2 DB02248 3-Methyl-5-Sulfo-Pyrrolidine-2-Carboxylic Acid small molecule experimental 209.22 C6H11NO5S DB02249 2-Ethoxyethanol small molecule experimental 110-80-5 90.121 C4H10O2 DB02251 O-Succinylbenzoate small molecule experimental 27415-09-4 222.1941 C11H10O5 DB02252 Iodobenzene small molecule experimental 591-50-4 204.0084 C6H5I DB02253 (1r)-4-[(1e,3e,5e,7z,9e,11z,13e,15e)-17-Hydroxy-3,7,12,16-Tetramethylheptadeca-1,3,5,7,9,11,13,15-Octaen-1-Yl]-3,5,5-Trimethylcyclohex-3-En-1-Ol small molecule experimental 434.6533 C30H42O2 DB02254 Trifluoro-thiamin phosphate small molecule experimental 397.29 C12H13F3N4O4PS DB02255 Ilomastat small molecule experimental 142880-36-2 388.4607 C20H28N4O4 DB02256 2'-Deoxyuridine small molecule experimental 951-78-0 228.202 C9H12N2O5 DB02257 N-Bromoacetyl-Aminoethyl Phosphate small molecule experimental 261.996 C4H9BrNO5P DB02258 SR11254 small molecule experimental 401.4975 C26H27NO3 DB02259 3-(3,5-Dibromo-4-Hydroxy-Benzoyl)-2-Ethyl-Benzofuran-6-Sulfonic Acid (4-Sulfamoyl-Phenyl)-Amide small molecule experimental 658.336 C23H18Br2N2O7S2 DB02260 4-Oxosebacic Acid small molecule experimental 216.231 C10H16O5 DB02261 Platelet Activating Factor small molecule experimental 74389-68-7 523.6832 C26H54NO7P DB02263 Glyceraldehyde-3-Phosphate small molecule experimental 142-10-9 170.0578 C3H7O6P DB02264 O2-Sulfo-Glucuronic Acid small molecule experimental 274.203 C6H10O10S DB02265 Ethyl-Trimethyl-Silane small molecule experimental 3439-38-1 102.2502 C5H14Si DB02267 Argininosuccinate small molecule experimental 290.2731 C10H18N4O6 DB02268 4-(Acetylamino)-3-Amino Benzoic Acid small molecule experimental 194.1873 C9H10N2O3 DB02269 [4-({[5-Benzyloxy-1-(3-Carbamimidoyl-Benzyl)-1h-Indole-2-Carbonyl]-Amino}-Methyl)-Phenyl]-Trimethyl-Ammonium small molecule experimental 546.6819 C34H36N5O2 DB02270 Dimethylallyl S-Thiolodiphosphate small molecule experimental 264.174 C5H14O6P2S DB02271 S-(2-oxo)pentadecylcoa small molecule experimental 991.916 C36H64N7O17P3S DB02272 Porphobilinogen small molecule experimental 487-90-1 226.2292 C10H14N2O4 DB02273 2,6-Dimethyl-7-Octen-2-Ol small molecule experimental 18479-58-8 156.2652 C10H20O DB02274 7-Keto-8-Aminopelargonic Acid small molecule experimental 4707-58-8 187.2362 C9H17NO3 DB02275 [2-Aminomethyl-5-Oxo-4-(4-Oxo-Cyclohexa-2,5-Dienylmethyl)-4,5-Dihydro-Imidazol-1-Yl] -Acetaldehyde small molecule experimental 261.2765 C13H15N3O3 DB02276 (S)-2-(Phosphonoxy)Caproyl-L-Leucyl-P-Nitroanilide small molecule experimental 445.404 C18H28N3O8P DB02277 1-(5-Tert-Butyl-2-Methyl-2h-Pyrazol-3-Yl)-3-(4-Chloro-Phenyl)-Urea small molecule experimental 306.791 C15H19ClN4O DB02278 7,8-dihydro-7,7-dimethyl-6-hydroxypterin small molecule experimental 209.2052 C8H11N5O2 DB02279 Benzoylformic Acid small molecule experimental 611-73-4 150.1314 C8H6O3 DB02280 (R)-Mandelic acid small molecule experimental 611-71-2 152.1473 C8H8O3 DB02281 Formycin small molecule experimental 6742-12-7 267.2413 C10H13N5O4 DB02282 5'-S-methyl-5'-thioadenosine small molecule experimental 2457-80-9 297.334 C11H15N5O3S DB02283 2-Phenylamino-Ethanesulfonic Acid small molecule experimental 201.243 C8H11NO3S DB02285 Protoporphyrin small molecule experimental 553-12-8 562.6582 C34H34N4O4 DB02286 2-amino-3-(4-amino-1H-indol-3-yl)propanoic acid small molecule experimental 219.2398 C11H13N3O2 DB02287 2-(2-hydroxy-phenyl)-3H-benzoimidazole-5-carboxamidine small molecule experimental 253.2792 C14H13N4O DB02288 CRA-9334 small molecule experimental 345.194 C15H13BrN4O DB02289 2-Aminopropanedioic Acid small molecule experimental 1068-84-4 119.0761 C3H5NO4 DB02290 3-{2,6,8-trioxo-9-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-1,2,3,6,8,9-hexahydro-7H-purin-7-Yl}propyl dihydrogen phosphate small molecule experimental 440.2998 C13H21N4O11P DB02293 (2S)-2,3-bis{[(3R,7R)-3,7,11,15-tetramethylhexadecyl]oxy}propyl (2R)-2-hydroxy-3-[(hydroxyphosphinato)oxy]propyl phosphate small molecule experimental 885.1795 C46H94O11P2 DB02294 (5R,6S,7S,8S)-5-hydroxymethyl-6,7,8-trihydroxy-tetrazolo[1,5-A]piperidine small molecule experimental 202.168 C6H10N4O4 DB02295 N-[3-(Dimethylamino)Propyl]-2-({[4-({[4-(Formylamino)-1-Methyl-1h-Pyrrol-2-Yl]Carbonyl}Amino)-1-Methyl-1h-Pyrrol-2-Yl]Carbonyl}Amino)-5-Isopropyl-1,3-Thiazole-4-Carboxamide small molecule experimental 542.654 C25H34N8O4S DB02296 Isoamyl alcohol small molecule experimental 123-51-3 88.1482 C5H12O DB02297 2-Amino-6-Chloropyrazine small molecule experimental 129.548 C4H4ClN3 DB02298 5-Hydroxyamino-3-Methyl-Pyrrolidine-2-Carboxylic Acid small molecule experimental 160.1711 C6H12N2O3 DB02299 Arginineamide small molecule experimental 174.2241 C6H16N5O DB02301 5,10-Methylene-6-Hydrofolic Acid small molecule experimental 455.424 C20H21N7O6 DB02302 Symmetric dimethylarginine small molecule experimental 30344-00-4 202.2541 C8H18N4O2 DB02303 (5S)-5-Iododihydro-2,4(1H,3H)-pyrimidinedione small molecule experimental 239.9992 C4H5IN2O2 DB02304 Prostaglandin B2 small molecule experimental 13367-85-6 334.456 C20H30O4 DB02305 4,5-Dehydro-D-Glucuronic Acid small molecule experimental 176.1241 C6H8O6 DB02306 Palmitoyl-Linoleoyl Phosphatidylcholine small molecule experimental 758.0603 C42H80NO8P DB02307 N-(1-carboxy-3-phenylpropyl)phenylalanyl-alpha-asparagine small molecule experimental 441.477 C23H27N3O6 DB02308 4-(1,3,2-Dioxaborolan-2-Yloxy)Butan-1-Aminium small molecule experimental 159.999 C6H15BNO3 DB02309 5-monophosphate-9-beta-D-ribofuranosyl xanthine small molecule experimental 365.214 C10H14N4O9P DB02310 3,5,6,8-Tetramethyl-N-Methyl Phenanthrolinium small molecule experimental 251.3462 C17H19N2 DB02311 Methyl Methylsulfinylmethyl Sulfide small molecule experimental 33577-16-1 124.225 C3H8OS2 DB02312 beta-D-galactose 6-phosphate small molecule experimental 260.1358 C6H13O9P DB02313 Ethyl (4R)-4-{[(2R,5S)-2-(4-fluorobenzyl)-6-methyl-5-{[(5-methyl-1,2-oxazol-3-yl)carbonyl]amino}-4-oxoheptanoyl]amino}-5-[(3S)-2-oxo-3-pyrrolidinyl]pentanoate small molecule experimental 600.688 C31H41FN4O7 DB02314 Uridine-5'-Diphosphate-N-Acetylmuramoyl-L-Alanine-D-Glutamate small molecule experimental 879.6082 C28H43N5O23P2 DB02315 Cyclic GMP small molecule experimental 7665-99-8 345.2053 C10H12N5O7P DB02316 1-(5-Carboxypentyl)-5-[(2,6-Dichlorobenzyl)Oxy]-1 H-Indole-2-Carboxylic Acid small molecule experimental 450.312 C22H21Cl2NO5 DB02317 Alpha-D-Galactose-1-Phosphate small molecule experimental 2255-14-3 260.1358 C6H13O9P DB02318 2-deoxy-2-fluoro-alpha-D-mannosyl fluoride small molecule experimental 184.138 C6H10F2O4 DB02319 5,6-dihydroxy-NADP small molecule experimental 779.4356 C21H32N7O19P3 DB02320 N-beta-D-glucopyranosylacetamide small molecule experimental 6983-36-4 221.2078 C8H15NO6 DB02321 5-(3-Amino-4,4-Dihyroxy-Butylsulfanylmethyl)-Tetrahydro-Furan-2,3,4-Triol small molecule experimental 267.299 C9H17NO6S DB02322 Heparin Disaccharide I-S small molecule experimental 573.438 C12H15NO19S3 DB02323 EM-1745 small molecule experimental 677.8301 C37H51N5O7 DB02324 5-Iodo-2'-Deoxyuridine-5'-Monophosphate small molecule experimental 434.0784 C9H12IN2O8P DB02326 1-Hydroxyamine-2-Isobutylmalonic Acid small molecule experimental 175.1824 C7H13NO4 DB02327 Triethylene glycol small molecule experimental 112-27-6 150.173 C6H14O4 DB02328 2-[(3-Hydroxy-2-Methyl-5-Phosphonooxymethyl-Pyridin-4-Ylmethyl)-Imino]-5-Phosphono-Pent-3-Enoic Acid small molecule experimental 424.2369 C13H18N2O10P2 DB02329 Carbenoxolone small molecule experimental 5697-56-3 570.7566 C34H50O7 DB02331 (2s)-2-[(5-Benzofuran-2-Yl-Thiophen-2-Ylmethyl)-(2,4-Dichloro-Benzoyl)-Amino]-3-Phenyl-Propionic Acid small molecule experimental 550.452 C29H21Cl2NO4S DB02332 Flavin-N7 protonated-adenine dinucleotide small molecule experimental 786.5577 C27H34N9O15P2 DB02333 Deoxyuridine-5'-Triphosphate small molecule experimental 468.1417 C9H15N2O14P3 DB02334 (R)-2-Hydroxy-3-Sulfopropanoic Acid small molecule experimental 170.141 C3H6O6S DB02335 2-Aminothiazoline small molecule experimental 1779-81-3 102.158 C3H6N2S DB02336 RU83876 small molecule experimental 643.5611 C30H35N3O9P2 DB02337 S-(D-Carboxybutyl)-L-Homocysteine small molecule experimental 235.301 C9H17NO4S DB02338 NADPH small molecule experimental 53-57-6 745.4209 C21H30N7O17P3 DB02339 Allyl-{6-[3-(4-Bromo-Phenyl)-Benzofuran-6-Yloxy]-Hexyl-}-Methyl-Amin small molecule experimental 442.389 C24H28BrNO2 DB02340 N-Acetyl-Serine small molecule experimental 16354-58-8 147.1293 C5H9NO4 DB02341 Mdl 101,146 small molecule experimental 149859-17-6 632.6193 C29H37F5N4O6 DB02343 3,6,9,12,15-Pentaoxaheptadecane small molecule experimental 4353-28-0 250.3318 C12H26O5 DB02345 Selenocysteine small molecule experimental 10236-58-5 168.05 C3H7NO2Se DB02346 3'-O-N-Octanoyl-a-D-Glucopyranosyl-B-D-Fructofuranoside small molecule experimental 468.4926 C20H36O12 DB02347 2-Amino-3-(5-Tert-Butyl-3-(Phosphonomethoxy)-4-Isoxazolyl)Propionic Acid small molecule experimental 322.2515 C11H19N2O7P DB02348 Monofluorophosphate ion small molecule experimental 15181-43-8 97.9704 FO3P DB02349 Nicotinamide-adenine-dinucleotide-5-hydroxy-4-oxonorvaline small molecule experimental 809.5464 C26H35N8O18P2 DB02350 N-Hydroxy-4-[(4-Methoxylphenyl)Sulfonyl]-2,2-Dimethyl-Hexahydro-1,4-Thiazepine-3(S)-Carboxamide small molecule experimental 374.476 C15H22N2O5S2 DB02352 3-(Benzyloxy)Pyridin-2-Amine small molecule experimental 200.2365 C12H12N2O DB02353 Heparin Disaccharide Iii-S small molecule experimental 494.383 C12H16NO16S2 DB02354 4-{[1-Methyl-5-(2-Methyl-Benzoimidazol-1-Ylmethyl)-1h-Benzoimidazol-2-Ylmethyl]-Amino}-Benzamidine small molecule experimental 423.5129 C25H25N7 DB02355 Adenosine-5'-Rp-Alpha-Thio-Triphosphate small molecule experimental 523.247 C10H16N5O12P3S DB02356 4-Imidazolmethylene-5-Imidazolone Chromophore small molecule experimental 281.2679 C11H15N5O4 DB02357 Methyl-O3-(Alpha-D-Mannose)-Alpha-D-Mannose small molecule experimental 356.3231 C13H24O11 DB02358 LY374571 small molecule experimental 433.3755 C17H19N7O7 DB02359 9-Butyl-8-(2,5-Dimethoxy-Benzyl)-9h-Purin-6-Ylamine small molecule experimental 341.4075 C18H23N5O2 DB02360 Bis-Napthyl Beta-Ketophosphonic Acid small molecule experimental 376.3417 C22H17O4P DB02361 S-Methyl Thiocysteine Group small molecule experimental 167.25 C4H9NO2S2 DB02362 Aminobenzoic acid small molecule approved 150-13-0 137.136 C7H7NO2 DB02363 2'-Monophosphoadenosine-5'-Diphosphate small molecule experimental 507.181 C10H16N5O13P3 DB02364 2-Amino-3-(Diethoxy-Phosphoryloxy)-Propionic Acid small molecule experimental 241.1788 C7H16NO6P DB02365 1,10-Phenanthroline small molecule experimental 66-71-7 180.2053 C12H8N2 DB02366 CRA_10762 small molecule experimental 362.812 C20H15ClN4O DB02367 (1n)-4-N-Butoxyphenylsulfonyl-(2r)-N-Hydroxycarboxamido-(4s)-Methanesulfonylamino-Pyrrolidine small molecule experimental 435.516 C16H25N3O7S2 DB02368 N-Acetyl-L-Citrulline small molecule experimental 217.2224 C8H15N3O4 DB02369 3-Aza-2,3-Dihydrogeranyl Diphosphate small molecule experimental 314.1892 C9H18NO7P2 DB02370 Nz-(1-Carboxyethyl)-Lysine small molecule experimental 218.2502 C9H18N2O4 DB02371 2-(2-Hydroxy-1,1-Dihydroxymethyl-Ethylamino)-Ethanesulfonic Acid small molecule experimental 7365-44-8 229.251 C6H15NO6S DB02372 2,5-Dimethylpyrimidin-4-Amine small molecule experimental 123.1558 C6H9N3 DB02373 Adenosine monotungstate small molecule experimental 500.09 C10H14N5O7W DB02374 Xylose-Derived Imidazole small molecule experimental 170.1659 C7H10N2O3 DB02375 Myricetin small molecule experimental 529-44-2 318.2351 C15H10O8 DB02376 D-gluconhydroximo-1,5-lactam small molecule experimental 192.1699 C6H12N2O5 DB02377 Guanine small molecule experimental 73-40-5 151.1261 C5H5N5O DB02378 MMI-175 small molecule experimental 730.9343 C38H62N6O8 DB02379 Beta-D-Glucose small molecule experimental 492-61-5 180.1559 C6H12O6 DB02380 Deoxyinosine small molecule experimental 890-38-0 252.23 C10H12N4O4 DB02382 Namn small molecule experimental 335.2039 C11H14NO9P DB02384 (E)-2-Fluoro-P-Hydroxycinnamate small molecule experimental 181.1405 C9H6FO3 DB02385 D-threo-neopterin small molecule experimental 10162-32-0 253.2147 C9H11N5O4 DB02386 Leucine Phosphonic Acid small molecule experimental 167.1433 C5H14NO3P DB02388 Cyclohexyl-{4-[5-(3,4-Dichlorophenyl)-2-Piperidin-4-Yl-3-Propyl-3h-Imidazol-4-Yl]-Pyrimidin-2-Yl}Amine small molecule experimental 513.505 C27H34Cl2N6 DB02390 5-Bromo-N[2-(Dimethylamino)Ethyl]-9-Aminoacridine-4-Carboxamide small molecule experimental 389.29 C18H21BrN4O DB02391 2-Amino-7-[2-(2-Hydroxy-1-Hydroxymethyl-Ethylamino)-Ethyl]-1,7-Dihydro-Purin-6-One small molecule experimental 268.2724 C10H16N6O3 DB02393 D-Gluco-2,5-Anhydro-1-Deoxy-1-Phosphonohexitol-6-Phosphate small molecule experimental 308.1169 C6H14O10P2 DB02394 Oxiranpseudoglucose small molecule experimental 176.1672 C7H12O5 DB02395 3-Hydroxymethyl-5-Aziridinyl-1methyl-2-[1h-Indole-4,7-Dione]-Propanol small molecule experimental 290.3144 C15H18N2O4 DB02396 Methylethylamine small molecule experimental 624-78-2 59.1103 C3H9N DB02397 O-(N-acetyl-alpha-D-galactosaminyl)-L-serine small molecule experimental 67262-86-6 308.2851 C11H20N2O8 DB02398 6-[N-(4-(Aminomethyl)Phenyl)Carbamyl]-2-Naphthalenecarboxamidine small molecule experimental 318.3724 C19H18N4O DB02399 L-Rhamnitol small molecule experimental 488-28-8 166.1724 C6H14O5 DB02400 ES-936 small molecule experimental 192820-78-3 356.3294 C18H16N2O6 DB02401 4-Hydroxy-1,2,5-oxadiazole-3-carboxylic acid small molecule experimental 66313-36-8 130.059 C3H2N2O4 DB02402 5-(4-Methoxyphenoxy)-2,4-Quinazolinediamine small molecule experimental 282.2973 C15H14N4O2 DB02403 2-Fluoroaniline small molecule experimental 348-54-9 111.1169 C6H6FN DB02404 1-Deoxy-1-Thio-Heptaethylene Glycol small molecule experimental 342.449 C14H30O7S DB02405 12-Bromododecanoic Acid small molecule experimental 73367-80-3 279.214 C12H23BrO2 DB02406 N-Valeric Acid small molecule experimental 109-52-4 102.1317 C5H10O2 DB02407 6-O-Cyclohexylmethyl Guanine small molecule experimental 247.2963 C12H17N5O DB02408 (3s)-3-Amino-1-(Cyclopropylamino)Heptane-2,2-Diol small molecule experimental 202.2939 C10H22N2O2 DB02409 (1r,4s)-2-Azabornane small molecule experimental 139.238 C9H17N DB02410 2-Acetyl-3-[(4-Amino-2-Methyl-5-Pyrimidinyl)Methyl]-4-Methyl-5-(4,6,6-Trihydroxy-3,5-Dioxa-4,6-Diphosphahex-1-Yl)Thiazolium Inner Salt P,P'-Dioxide small molecule experimental 467.351 C14H21N4O8P2S DB02411 2-(11-{2-[Benzenesulfonyl-(3-Methyl-Butyl)-Amino]-1-Hydroxy-Ethyl}-6,9-Dioxo-2-Oxa-7,10-Diaza-Bicyclo[11.2.2]Heptadeca-1(16),13(17),14-Trien-8-Yl)-Acetamide, Inhibitor 2 small molecule experimental 588.715 C29H40N4O7S DB02412 Tetrahydropyran small molecule experimental 142-68-7 86.1323 C5H10O DB02413 Hydroxyethylcysteine small molecule experimental 165.211 C5H11NO3S DB02414 Cyclo(his-pro) small molecule experimental 53109-32-3 234.2545 C11H14N4O2 DB02415 N-Octyl-2-Hydroxyethyl Sulfoxide small molecule experimental 206.345 C10H22O2S DB02416 2-Ribofuranosyl-3-Iodo-2,3-Dihydro-1h-Pyrazolo[3,4-D]Pyrimidin-4-Ylamine small molecule experimental 395.1537 C10H14IN5O4 DB02417 2,4,6-Tribromophenol small molecule experimental 118-79-6 330.799 C6H3Br3O DB02418 (R,R)-2,3-Butanediol small molecule experimental 24347-58-8 90.121 C4H10O2 DB02419 Ethyl Oxo(Piperidin-1-Yl)Acetate small molecule experimental 53074-96-7 185.2203 C9H15NO3 DB02420 [[4-(Aminomethyl)Phenyl]Amino]Oxo-Acetic Acid, small molecule experimental 194.1873 C9H10N2O3 DB02421 Uridine-5'-diphosphate-mannose small molecule experimental 566.3018 C15H24N2O17P2 DB02422 Methyl-2-S-(Alpha-D-Mannopyranosyl)-2-Thio-Alpha-D-Mannopyranoside small molecule experimental 372.389 C13H24O10S DB02423 Thiopyrophosphate small molecule experimental 68488-87-9 193.033 H3O6P2S DB02424 Geldanamycin small molecule experimental 30562-34-6 560.6359 C29H40N2O9 DB02425 Hexadecyl Octanoate small molecule experimental 29710-31-4 354.619 C23H46O2 DB02426 Carboxyatractyloside small molecule experimental 33286-30-5 786.816 C31H46O19S2 DB02427 2,4-Diamino-6-[N-(2',5'-Dimethoxybenzyl)-N-Methylamino]Quinazoline small molecule experimental 339.3916 C18H21N5O2 DB02428 Quinaldic Acid small molecule experimental 93-10-7 173.1681 C10H7NO2 DB02429 4-(Aminosulfonyl)-N-[(4-Fluorophenyl)Methyl]-Benzamide small molecule experimental 308.328 C14H13FN2O3S DB02430 Trehalose-6-Phosphate small molecule experimental 4484-88-2 422.2764 C12H23O14P DB02431 Cytidine-5'-Triphosphate small molecule experimental 65-47-4 483.1563 C9H16N3O14P3 DB02432 RU90395 small molecule experimental 661.6734 C35H36FN3O9 DB02433 {[(2,2-Dihydroxy-Ethyl)-(2,3,4,5-Tetrahydroxy-6-Phosphonooxy-Hexyl)-Amino]-Methyl}-Phosphonic Acid small molecule experimental 415.2253 C9H23NO13P2 DB02434 4-(2-Thienyl)Butyric Acid small molecule experimental 4653-11-6 170.229 C8H10O2S DB02435 Aminomethylcyclohexane small molecule experimental 3218-02-8 114.2086 C7H16N DB02436 {4-[(2S)-2-({[(1S)-1-Carboxy-2-phenylethyl]carbamoyl}amino)-3-oxo-3-(pentylamino)propyl]phenoxy}malonic acid small molecule experimental 543.5656 C27H33N3O9 DB02437 (5r)-5-Amino-6-Hydroxyhexylcarbamic Acid small molecule experimental 176.2135 C7H16N2O3 DB02438 3-O-Methylfructose in Linear Form small molecule experimental 194.1825 C7H14O6 DB02441 2-Butyl-5,6-Dihydro-1h-Imidazo[4,5-D]Pyridazine-4,7-Dione small molecule experimental 208.2172 C9H12N4O2 DB02442 Dioxyselenocysteine small molecule experimental 200.05 C3H7NO4Se DB02443 Methicillin Acyl-Serine small molecule experimental 483.492 C20H25N3O9S DB02445 2-Deoxy-2-Amino Glucitol-6-Phosphate small molecule experimental 261.1669 C6H16NO8P DB02446 Glutamine hydroxamate small molecule experimental 1955-67-5 162.1439 C5H10N2O4 DB02447 3,8,9,10-tetrahydroxy-7-hydroxymethyl-6-oxa-1,3-diaza-spiro[4.5]decane-2,4-dione small molecule experimental 264.1895 C8H12N2O8 DB02448 N-Tridecanoic Acid small molecule experimental 638-53-9 214.3443 C13H26O2 DB02449 3-(1h-Indol-3-Yl)-2-[4-(4-Phenyl-Piperidin-1-Yl)-Benzenesulfonylamino]-Propionic Acid small molecule experimental 503.613 C28H29N3O4S DB02450 2-Benzo[1,3]Dioxol-5-Ylmethyl-3-Benzyl-Succinic Acid small molecule experimental 342.3426 C19H18O6 DB02451 B-nonylglucoside small molecule experimental 69984-73-2 306.3951 C15H30O6 DB02452 Thymidine 5'-triphosphate small molecule experimental 365-08-2 482.1683 C10H17N2O14P3 DB02453 Antimonous acid small molecule experimental 172.78 H3O3Sb DB02454 5-(6-Amino-9h-Purin-9-Yl)-4-Hydroxytetrahydrofuran-3-Yl Dihydrogen Phosphate small molecule experimental 317.1952 C9H12N5O6P DB02455 Fluoresceinylthioureido small molecule experimental 434.464 C23H18N2O5S DB02456 Aracytidine 5'-monophosphate small molecule experimental 7075-11-8 323.1965 C9H14N3O8P DB02457 Undecyl-Phosphinic Acid Butyl Ester small molecule experimental 276.3951 C15H33O2P DB02458 S-(2,4-dinitrophenyl)glutathione small molecule experimental 26289-39-4 473.415 C16H19N5O10S DB02459 4-guanidinobenzoic acid small molecule experimental 16060-65-4 179.176 C8H9N3O2 DB02460 Hydrogenobyrinic acid small molecule experimental 23599-55-5 880.989 C45H60N4O14 DB02461 S-Methyl Phosphocysteine small molecule experimental 215.165 C4H10NO5PS DB02462 Thiocoumarin small molecule experimental 263.355 C14H17NO2S DB02463 2-(2-Hydroxy-Phenyl)-1h-Indole-5-Carboxamidine small molecule experimental 252.2912 C15H14N3O DB02464 Benzylamine small molecule experimental 100-46-9 107.1531 C7H9N DB02465 Methoxy arachidonyl fluorophosphonate small molecule experimental 180509-15-3 370.4815 C21H36FO2P DB02466 BMS-181156 small molecule experimental 110368-35-9 362.4614 C24H26O3 DB02467 L-methionine (S)-S-oxide small molecule experimental 165.211 C5H11NO3S DB02468 12-Phenylheme small molecule experimental 694.599 C40H38FeN4O4 DB02469 4,6-dideoxy-4-amino-beta-D-glucopyranoside small molecule experimental 163.1717 C6H13NO4 DB02470 D-Glycero-D-Mannopyranose-7-Phosphate small molecule experimental 290.1618 C7H15O10P DB02471 Nojirimycine Tetrazole small molecule experimental 202.168 C6H10N4O4 DB02472 7,8-dihydroinosine small molecule experimental 270.242 C10H14N4O5 DB02473 6-[N-(1-Isopropyl-3,4-Dihydro-7-Isoquinolinyl)Carbamyl]-2-Naphthalenecarboxamidine small molecule experimental 384.4736 C24H24N4O DB02474 BMSC-0013 small molecule experimental 350.3648 C14H26N2O8 DB02475 Deoxyamidinoproclavaminic acid small molecule experimental 228.2483 C9H16N4O3 DB02477 N-({4-[4-(2-Methyl-1H-imidazol-1-yl)butyl]phenyl}acetyl)-L-seryl-N-(2-cyclohexylethyl)-L-lysinamide small molecule experimental 164931-25-3 596.8038 C33H52N6O4 DB02479 (R)-N-(3-Indol-1-Yl-2-Methyl-Propyl)-4-Sulfamoyl-Benzamide small molecule experimental 371.453 C19H21N3O3S DB02480 (S)-4-bromo-3-hydroxy-3-methylbutyl diphosphate small molecule experimental 343.003 C5H13BrO8P2 DB02481 N-Benzylformamide small molecule experimental 6343-54-0 135.1632 C8H9NO DB02482 Phosphonothreonine small molecule experimental 199.0991 C4H10NO6P DB02483 Etheno-NAD small molecule experimental 687.4465 C23H27N7O14P2 DB02484 Cytidine 5'-diphosphoglycerol small molecule experimental 477.255 C12H21N3O13P2 DB02485 Cytidine-5'-Monophosphate-5-N-Acetylneuraminic Acid small molecule experimental 614.4511 C20H31N4O16P DB02486 2-Hydroxyethyl Disulfide small molecule experimental 1892-29-1 154.251 C4H10O2S2 DB02488 1-(2-Ethanone)-2-Hydroxy-2-(1-Amino-2-Methyl-2-Ethanol)-4-(2-Dimethyl)Ethane-Imidazoline-5-One;Chromophore (Thr-Leu-Gly) small molecule experimental 271.3128 C12H21N3O4 DB02489 9-Methylguanine small molecule experimental 5502-78-3 165.1527 C6H7N5O DB02490 (Diaminomethyl-Methyl-Amino)-Acetic Acid small molecule experimental 133.149 C4H11N3O2 DB02491 4-[4-(1-Amino-1-Methylethyl)Phenyl]-5-Chloro-N-[4-(2-Morpholin-4-Ylethyl)Phenyl]Pyrimidin-2-Amine small molecule experimental 451.992 C25H30ClN5O DB02492 Ghavamiol small molecule experimental 316.306 C9H18NO9S DB02493 Hydantocidin-5'-phosphate small molecule experimental 298.144 C7H11N2O9P DB02494 (S)-3-phenyllactic acid small molecule experimental 20312-36-1 166.1739 C9H10O3 DB02495 9-(4-hydroxybutyl)-N2-phenylguanine small molecule experimental 299.3278 C15H17N5O2 DB02496 1-Deoxy-D-xylulose 5-phosphate small molecule experimental 190079-18-6 214.1104 C5H11O7P DB02497 L-Alpha-Glycerophosphorylserine small molecule experimental 259.151 C6H14NO8P DB02498 Carba-nicotinamide-adenine-dinucleotide small molecule experimental 662.4602 C22H30N7O13P2 DB02499 Dinor-N(Omega)-Hydroxy-L-Arginine small molecule experimental 162.1472 C4H10N4O3 DB02500 6-(Dihydroxy-Isobutyl)-Thymine small molecule experimental 214.2185 C9H14N2O4 DB02501 N(2)-succinyl-L-arginine small molecule experimental 274.2737 C10H18N4O5 DB02502 8-hydroxy-2'-deoxyguanosine small molecule experimental 88847-89-6 283.2407 C10H13N5O5 DB02503 4-(Carboxyvin-2-Yl)Phenylboronic Acid small molecule experimental 191.976 C9H9BO4 DB02504 [3-(1-Benzyl-3-Carbamoylmethyl-2-Methyl-1h-Indol-5-Yloxy)-Propyl-]-Phosphonic Acid small molecule experimental 416.4074 C21H25N2O5P DB02505 N-(R-Carboxy-Ethyl)-Alpha-(S)-(2-Phenylethyl) small molecule experimental 592.7703 C37H44N4O3 DB02506 2,6,8-Trimethyl-3-Amino-9-Benzyl-9-Methoxynonanoic Acid small molecule experimental 335.4809 C20H33NO3 DB02508 Isopentyl Pyrophosphate small molecule experimental 248.108 C5H14O7P2 DB02509 Farnesol small molecule experimental 4602-84-0 222.3663 C15H26O DB02510 5'-O-(L-Prolylsulfamoyl)adenosine small molecule experimental 443.435 C15H21N7O7S DB02511 2-Hydroxy-5-({1-[(2-Naphthyloxy)Methyl]-3-Oxoprop-1-Enyl}Amino)Tyrosine small molecule experimental 422.4306 C23H22N2O6 DB02512 1,6-Fructose Diphosphate (Linear Form) small molecule experimental 340.1157 C6H14O12P2 DB02514 (2Z)-3-{[Oxido(oxo)phosphoranyl]oxy}-2-phenylacrylate small molecule experimental 2007-07-0 225.1147 C9H6O5P DB02515 sn-glycerol 3-phosphate small molecule experimental 17989-41-2 172.0737 C3H9O6P DB02516 (R)-carnitinyl-CoA betaine small molecule experimental 910.718 C28H49N8O18P3S DB02517 D-Glutamic Acid small molecule experimental 6893-26-1 147.1293 C5H9NO4 DB02518 N-Acetylalanine small molecule experimental 97-69-8 131.1299 C5H9NO3 DB02519 Indirubin-5-sulphonate small molecule experimental 244021-67-8 342.326 C16H10N2O5S DB02520 Ditiocarb small molecule experimental 147-84-2 149.278 C5H11NS2 DB02521 Flaviolin small molecule experimental 479-05-0 206.1516 C10H6O5 DB02522 Phosphonopyruvate small molecule experimental 168.042 C3H5O6P DB02523 2-aminooxyethyl-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl]-methyl-sulfonium small molecule experimental 357.409 C13H21N6O4S DB02524 2',3'-O-{4-[Hydroxy(oxido)-ฆห5-azanylidene]-2,6-dinitro-2,5-cyclohexadiene-1,1-diyl}adenosine 5'-(tetrahydrogen triphosphate) small molecule experimental 718.27 C16H17N8O19P3 DB02525 D-galactohydroximo-1,5-lactam small molecule experimental 192.1699 C6H12N2O5 DB02526 CRA_10655 small molecule experimental 336.3877 C19H20N4O2 DB02527 Cyclic adenosine monophosphate small molecule experimental 60-92-4 329.2059 C10H12N5O6P DB02528 Tetrazolyl Histidine small molecule experimental 207.1927 C7H9N7O DB02529 (2R,4S,5R,6R)-5-Acetamido-4-amino-6-(diethylcarbamoyl)oxane-2-carboxylic acid small molecule experimental 301.3388 C13H23N3O5 DB02531 Isobutyric acid small molecule experimental 79-31-2 88.1051 C4H8O2 DB02532 2,4,6-Triaminoquinazoline small molecule experimental 175.1906 C8H9N5 DB02534 2-Allylphenol small molecule experimental 1745-81-9 134.1751 C9H10O DB02535 Aminodi(Ethyloxy)Ethylaminocarbonylbenzenesulfonamide small molecule experimental 331.388 C13H21N3O5S DB02536 D-glyceraldehyde small molecule experimental 453-17-8 90.0779 C3H6O3 DB02537 2-Hydroxy-5-({1-[(4-Methylphenoxy)Methyl]-3-Oxoprop-1-Enyl}Amino)-L-Tyrosine small molecule experimental 386.3985 C20H22N2O6 DB02538 N-[4-(2-Methylimidazo[1,2-a]Pyridin-3-Yl)-2-Pyrimidinyl]Acetamide small molecule experimental 267.2859 C14H13N5O DB02540 10-formyl-5,8,10-trideazafolic acid small molecule experimental 482.4428 C23H22N4O8 DB02541 4-Hydroxybutan-1-Aminium small molecule experimental 90.1442 C4H12NO DB02542 (4s)-5-Fluoro-L-Leucine small molecule experimental 149.1634 C6H12FNO2 DB02543 Pyrrole-2-Carboxylate small molecule experimental 111.0987 C5H5NO2 DB02544 N-(6-{[3-(4-Bromophenyl)-1,2-Benzisothiazol-6-Yl]Oxy}Hexyl)-N-Methylprop-2-En-1-Amine small molecule experimental 459.442 C23H27BrN2OS DB02545 Fexaramine small molecule experimental 574013-66-4 496.6398 C32H36N2O3 DB02547 Guanosine-5'-Diphosphate-Rhamnose small molecule experimental 589.3417 C16H25N5O15P2 DB02548 D-glucitol 6-phosphate small molecule experimental 20479-58-7 262.1517 C6H15O9P DB02549 3'-O-Acetylthymidine-5'-diphosphate small molecule experimental 444.225 C12H18N2O12P2 DB02550 8-(2-Chloro-3,4,5-Trimethoxy-Benzyl)-2-Fluoro-9-Pent-4-Ylnyl-9h-Purin-6-Ylamine small molecule experimental 433.864 C20H21ClFN5O3 DB02551 6-[N-(4-Ethyl-1,2,3,4-Tetrahydro-6-Isoquinolinyl)Carbamyl]-2-Naphthalenecarboxamidine small molecule experimental 372.4629 C23H24N4O DB02552 Geranyl Diphosphate small molecule experimental 314.2091 C10H20O7P2 DB02553 Glutathionylspermidine disulfide small molecule experimental 867.092 C34H66N12O10S2 DB02554 UDP-6-sulfoquinovose small molecule experimental 630.366 C15H24N2O19P2S DB02555 SP4160 small molecule experimental 685.644 C33H42Cl2N8O4 DB02556 D-Phenylalanine small molecule experimental 673-06-3 165.1891 C9H11NO2 DB02557 Phosphoramidon small molecule experimental 36357-77-4 543.5039 C23H34N3O10P DB02558 N-(3-Phenyl-2-Sulfanylpropanoyl)Phenylalanylalanine small molecule experimental 400.491 C21H24N2O4S DB02559 6-(Octahydro-1h-Indol-1-Ylmethyl)Decahydroquinazoline-2,4-Diamine small molecule experimental 307.4774 C17H33N5 DB02560 [(1S)-1-acetamido-2-(4-chlorophenyl)ethyl]-[(2S)-2-amino-3-hydroxy-3-oxo-propoxy]-dihydroxy-boron small molecule experimental 345.564 C13H19BClN2O6 DB02561 Beta-D-Fructopyranose small molecule experimental 7660-25-5 180.1559 C6H12O6 DB02562 Quinonoid 7,8-Tetrahydrobiopterin small molecule experimental 79647-29-3 239.2312 C9H13N5O3 DB02563 Hexanoyl-CoA small molecule experimental 5060-32-2 865.677 C27H46N7O17P3S DB02565 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide small molecule experimental 251456-60-7 307.388 C16H25N3O3 DB02566 8-Hydroxy-4-(1-Hydroxyethyl)Quinoline-2-Carboxylic Acid small molecule experimental 235.2359 C12H13NO4 DB02567 PD173955 small molecule experimental 443.349 C21H16Cl2N4OS DB02569 2',3'-Dehydro-2',3'-Deoxy-Thymidine 5'-Diphosphate small molecule experimental 384.1731 C10H14N2O10P2 DB02570 PD150606 small molecule experimental 308.136 C9H9IO2S DB02571 Allysine small molecule experimental 6665-12-9 145.1564 C6H11NO3 DB02572 1,3-bis-([3-[3-[3-(4-{3-[3-nitro-5-(galactopyranosyloxy)-benzoylamino]-propyl}-piperazin-1-yl)-propylamino-3,4-dioxo-cyclobutenyl]-amino-propoxy-ethoxy-ethoxy]-propyl-]amino-carbonyloxy)-2-amino-propane small molecule experimental 1794.9032 C79H123N15O32 DB02573 2'-deoxycytidine-2'-deoxyadenosine-3',5'-monophosphate small molecule experimental 540.4238 C19H25N8O9P DB02574 BV2 small molecule experimental 1198.2335 C51H79N11O22 DB02576 F-Loop of Vitamin B12 small molecule experimental 78-96-6 76.1176 C3H10NO DB02577 Mesoheme small molecule experimental 616.487 C34H32FeN4O4 DB02578 N-[(6S)-6-Carboxy-6-(glycylamino)hexanoyl]-D-alanyl-D-alanine small molecule experimental 374.3895 C15H26N4O7 DB02579 Acrylic Acid small molecule experimental 79-10-7 72.0627 C3H4O2 DB02580 Pentaglyme small molecule experimental 1191-87-3 266.3312 C12H26O6 DB02581 N(2)-carbamimidoyl-N-{2-[4-(3-{4-[(5-carboxyfuran-2-yl)methoxy]-2,3-dichlorophenyl}-1-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl}-D-leucinamide small molecule experimental 662.564 C30H37Cl2N7O6 DB02582 (6Z)-6-{[(1Z)-1-{[(1R)-1-Carboxy-2-methyl-2-propen-1-yl]imino}-1-hydroxy-3-sulfanyl-2-propanyl]imino}-6-hydroxynorleucine small molecule experimental 361.414 C14H23N3O6S DB02583 N6-(2,5-Dimethoxy-Benzyl)-N6-Methyl-Pyrido[2,3-D]Pyrimidine-2,4,6-Triamine small molecule experimental 175354-76-4 340.3797 C17H20N6O2 DB02585 4-(Hydroxymethyl)Benzamidine small molecule experimental 150.1778 C8H10N2O DB02586 4,7-Dimethyl-[1,10]Phenanthroline small molecule experimental 3248-05-3 208.2585 C14H12N2 DB02587 Colforsin small molecule experimental 66575-29-9 410.5012 C22H34O7 DB02588 (2R)-2-[(1R)-1-{[(2S)-2-Carboxy-2-(4-hydroxyphenyl)acetyl]amino}-1-methoxy-2-oxoethyl]-5-methylene-5,6-dihydro-2H-1,3-oxazine-4-carboxylic acid small molecule experimental 406.3435 C18H18N2O9 DB02589 Se-Ethyl-Isoselenourea small molecule experimental 151.07 C3H8N2Se DB02590 Abequose small molecule experimental 56816-60-5 148.1571 C6H12O4 DB02591 5,6-Dimethylbenzimidazole small molecule experimental 582-60-5 146.1891 C9H10N2 DB02592 Carbaphosphonate small molecule experimental 270.1737 C8H15O8P DB02593 7,8-Dihydroxy-1-Methoxy-3-Methyl-10-Oxo-4,10-Dihydro-1h,3h-Pyrano[4,3-B]Chromene-9-Carboxylic Acid small molecule experimental 322.2669 C15H14O8 DB02594 2'-Deoxycytidine small molecule experimental 951-77-9 227.2172 C9H13N3O4 DB02595 (2R,3S,5S)-2-(Hydroxymethyl)-5-[(2-sulfoethyl)carbamoyl]-3-pyrrolidiniumyl 2-acetamido-2-deoxy-4-O-sulfo-beta-D-glucopyranoside small molecule experimental 92953-54-3 552.551 C16H30N3O14S2 DB02596 alpha,beta-Methyleneadenosine 5'-triphosphate small molecule experimental 7292-42-4 505.2082 C11H18N5O12P3 DB02597 [2(R,S)-2-Sulfanylheptanoyl]-Phe-Ala small molecule experimental 380.502 C19H28N2O4S DB02598 N-Alpha-Acetyl-3,5-Diiodotyrosylglycine small molecule experimental 532.0696 C13H14I2N2O5 DB02599 2,6-Diamino-8-Propylsulfanylmethyl-3h-Quinazoline-4-One small molecule experimental 264.347 C12H16N4OS DB02600 Oseltamivir acid small molecule experimental 187227-45-8 284.3514 C14H24N2O4 DB02601 4-Hydroxyphenylglycine small molecule experimental 37784-25-1 167.164 C8H9NO3 DB02602 AL7182 small molecule experimental 374.456 C13H14N2O5S3 DB02603 1-Amino-6-Cyclohex-3-Enylmethyloxypurine small molecule experimental 246.3082 C13H18N4O DB02604 2-Deoxy-Glucose-6-Phosphate small molecule experimental 244.1364 C6H13O8P DB02606 2-Butanol small molecule experimental 78-92-2 74.1216 C4H10O DB02607 Adenosine Phosphonoacetic Acid small molecule experimental 389.2579 C12H16N5O8P DB02608 N-[(1R,2R)-1,3-Dihydroxy-1-(4-nitrophenyl)-2-propanyl]acetamide small molecule experimental 4423-58-9 254.2393 C11H14N2O5 DB02609 4-Hydroxy-L-Threonine-5-Monophosphate small molecule experimental 215.0985 C4H10NO7P DB02610 N-(2,3,4,5,6-Pentaflouro-Benzyl)-4-Sulfamoyl-Benzamide small molecule experimental 380.29 C14H9F5N2O3S DB02611 Balanol Analog 1 small molecule experimental 370.3991 C20H22N2O5 DB02613 Capric dimethyl amine oxide small molecule experimental 2605-79-0 201.3489 C12H27NO DB02614 1(R)-1-Acetamido-2-(3-Carboxyphenyl)Ethyl Boronic Acid small molecule experimental 251.044 C11H14BNO5 DB02615 Compound 19 small molecule experimental 463.588 C27H29NO4S DB02616 FR117016 small molecule experimental 369.467 C16H15N7S2 DB02617 1-(N-Imidazolyl)-2-Hydroxy-2-(2,3-Dichlorophenyl)Octane small molecule experimental 341.275 C17H22Cl2N2O DB02618 Ethyl Dimethyl Ammonio Propane Sulfonate small molecule experimental 195.28 C7H17NO3S DB02619 12-Bromo-1-dodecanol small molecule experimental 3344-77-2 265.23 C12H25BrO DB02620 3-(4-{2-[2-(2-bromo-acetylamino)-ethyldisulfanyl]-ethylcarbamoyl}-cyclohexylcarbamoyl)-pyrazine-2-carboxylic acid small molecule experimental 469.58 C19H27N5O5S2 DB02621 Latrunculin A small molecule experimental 76343-93-6 421.55 C22H31NO5S DB02622 2-(Oxalyl-Amino)-Benzoic Acid small molecule experimental 209.1556 C9H7NO5 DB02623 Aminophosphonic acid-guanylate ester small molecule experimental 442.2158 C10H16N6O10P2 DB02624 Homoserine Lactone small molecule experimental 1192-20-7 101.1039 C4H7NO2 DB02625 (2r)-2-{[Formyl(Hydroxy)Amino]Methyl}Hexanoic Acid small molecule experimental 189.209 C8H15NO4 DB02626 Phenylferricrocin-iron small molecule experimental 833.667 C34H51FeN9O12 DB02627 4,4'-Biphenyldiboronic Acid small molecule experimental 241.843 C12H12B2O4 DB02628 1-[3,3-Dimethyl-2-(2-Methylamino-Propionylamino)-Butyryl]-Pyrrolidine-2-Carboxylic Acid(1,2,3,4-Tetrahydro-Naphthalen-1-Yl)-Amide small molecule experimental 442.5942 C25H38N4O3 DB02629 N,N-[2,5-O-di-2-fluoro-benzyl-glucaryl]-di-[1-amino-indan-2-ol] small molecule experimental 688.7137 C38H38F2N2O8 DB02630 L-xylitol 5-phosphate small molecule experimental 64913-51-5 232.1257 C5H13O8P DB02632 4-nitrophenyl-beta-D-galactoside small molecule experimental 3150-24-1 301.2494 C12H15NO8 DB02633 Cibacron Blue small molecule experimental 84166-13-2 774.157 C29H20ClN7O11S3 DB02635 N-[O-Phosphono-Pyridoxyl]-Isoleucine small molecule experimental 362.3154 C14H23N2O7P DB02636 9-Hydroxy-8-Methoxy-6-Nitro-Phenanthrol[3,4-D][1,3]Dioxole-5-Carboxylic Acid small molecule experimental 357.2711 C17H11NO8 DB02637 Oxaloacetate Ion small molecule experimental 131.0636 C4H3O5 DB02639 7-(alpha-D-Glucopyranosyloxy)-4-methyl-2H-1-benzopyran-2-one small molecule experimental 17833-43-1 338.3093 C16H18O8 DB02640 Fumagillin small molecule experimental 23110-15-8 458.551 C26H34O7 DB02641 Heptanamide small molecule experimental 628-62-6 129.2001 C7H15NO DB02642 [[N-(Benzyloxycarbonyl)Amino]Methyl]Phosphate small molecule experimental 245.169 C9H12NO5P DB02643 N-Dodecyl-N,N-Dimethyl-3-Ammonio-1-Propanesulfonate small molecule experimental 336.554 C17H38NO3S DB02644 N-omega-propyl-L-arginine small molecule experimental 217.2886 C9H21N4O2 DB02645 3,4-Epoxybutyl-Alpha-D-Glucopyranoside small molecule experimental 250.2457 C10H18O7 DB02646 Nitrosoethane small molecule experimental 925-91-7 59.0672 C2H5NO DB02647 N-(5-Cyclopropyl-1h-Pyrazol-3-Yl)Benzamide small molecule experimental 227.2618 C13H13N3O DB02648 (3-Carboxy-2-(R)-Hydroxy-Propyl)-Trimethyl-Ammonium small molecule experimental 461-06-3 162.2068 C7H16NO3 DB02649 3-Amino-3-Oxopropanoic Acid small molecule experimental 2345-56-4 103.0767 C3H5NO3 DB02650 Trichloroacetaldehyde small molecule experimental 75-87-6 147.388 C2HCl3O DB02651 {[2-(1h-1,2,3-Benzotriazol-1-Yl)-2-(3,4-Difluorophenyl)Propane-1,3-Diyl]Bis[4,1-Phenylene(Difluoromethylene)]}Bis(Phosphonic Acid) small molecule experimental 685.4474 C29H23F6N3O6P2 DB02652 L-[(N-Hydroxyamino)Carbonyl]Phenylalanine small molecule experimental 224.2133 C10H12N2O4 DB02654 6-hydroxy-FAD small molecule experimental 52301-43-6 801.5491 C27H33N9O16P2 DB02655 D-Aspartic Acid small molecule experimental 1783-96-6 133.1027 C4H7NO4 DB02656 LY-294002 small molecule experimental 154447-36-6 307.3432 C19H17NO3 DB02657 Glucosamine 6-Phosphate small molecule experimental 3616-42-0 259.151 C6H14NO8P DB02658 2,4-Dinitrophenyl 2-Deoxy-2-Fluoro-Beta-D-Allopyranoside small molecule experimental 348.238 C12H13FN2O9 DB02660 Filaminast small molecule experimental 141184-34-1 292.3303 C15H20N2O4 DB02661 Adenosine-5'-diphosphate-2',3'-vanadate small molecule experimental 508.1255 C10H13N5O12P2V DB02662 Novo Nordisk a/S Compound small molecule experimental 335.0521 C9H6INO5 DB02663 2-Amino-4-(Hydroxymethyl-Phosphinyl)Butanoic Acid small molecule experimental 51276-47-2 181.1268 C5H12NO4P DB02664 1-Butane Boronic Acid small molecule experimental 101.94 C4H11BO2 DB02665 (1R,2S)-2-Phenylcyclopropanaminium small molecule experimental 1986-47-6 134.1983 C9H12N DB02666 (C8-R)-hydantocidin 5'-phosphate small molecule experimental 459.2998 C13H22N3O13P DB02667 Factor IIIm small molecule experimental 15713-12-9 1331.34 C61H86CoN13O15P DB02668 JE-2147 small molecule experimental 186538-00-1 575.718 C32H37N3O5S DB02669 RB106 small molecule experimental 412.502 C22H24N2O4S DB02670 4-Deoxy-Alpha-D-Glucose small molecule experimental 164.1565 C6H12O5 DB02671 1-Methylimidazole small molecule experimental 616-47-7 83.1118 C4H7N2 DB02673 (4aS,6R,8aS)-11-[8-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)octyl]-6-hydroxy-3-methoxy-5,6,9,10-tetrahydro-4aH-[1]benzofuro[3a,3,2-ef][2]benzazepin-11-ium small molecule experimental 529.6466 C32H37N2O5 DB02674 4-(2-Oxo-Hexahydro-Thieno[3,4-D]Imidazol-4-Yl)-Butyricacid small molecule experimental 230.284 C9H14N2O3S DB02675 (4-Hydroxymaltosephenyl)Glycine small molecule experimental 491.4432 C20H29NO13 DB02676 2-[3-(2-Hydroxy-1,1-Dihydroxymethyl-Ethylamino)-Propylamino]-2-Hydroxymethyl-Propane-1,3-Diol small molecule experimental 282.3339 C11H26N2O6 DB02677 D-naphthyl-1-acetamido boronic acid alanine small molecule experimental 361.177 C17H22BN2O6 DB02678 beta-D-Galactosamine small molecule experimental 14196-86-2 179.1711 C6H13NO5 DB02679 Cyanamide small molecule experimental 420-04-2 42.04 CH2N2 DB02680 1,3-Dinitrobenzene small molecule experimental 99-65-0 168.107 C6H4N2O4 DB02681 2,8-bis[oxido(oxo)vanadio]-1,1,1,3,5,5,7,7,9,9,9-undecaoxopentavanadoxane-2,8-diium small molecule experimental 660.5791 O19V7 DB02683 Inhibitor Bea428 small molecule experimental 768.8977 C42H52N6O8 DB02684 5'-O-(L-Cysteinylsulfamoyl)adenosine small molecule experimental 449.463 C13H19N7O7S2 DB02685 3-Methylphenylalanine small molecule experimental 179.2157 C10H13NO2 DB02686 Undecyl-Beta-D-Maltopyranoside small molecule experimental 496.5889 C23H44O11 DB02688 2,3-Didehydroalanine small molecule experimental 1948-56-7 87.0773 C3H5NO2 DB02689 S-{2-[Amino(Dihydroxy)-Lambda~4~-Sulfanyl]Ethyl}-D-Cysteine small molecule experimental 228.29 C5H12N2O4S2 DB02690 NU1025 small molecule experimental 90417-38-2 176.172 C9H8N2O2 DB02691 Glycocholic acid small molecule experimental 475-31-0 464.624 C26H42NO6 DB02693 (4S,5S)-1,2-dithiane-4,5-diol small molecule experimental 152.235 C4H8O2S2 DB02694 Pantoyl Adenylate small molecule experimental 477.363 C16H24N5O10P DB02695 O1-Pentyl-Mannose small molecule experimental 250.2888 C11H22O6 DB02696 6-Aminohexyl-uridine-C1,5'-diphosphate small molecule experimental 40248-31-5 503.3353 C15H27N3O12P2 DB02697 Hydroxyaminovaline small molecule experimental 132.161 C5H12N2O2 DB02698 N-(M-Trifluoromethylphenyl) Phenoxazine-4,6-Dicarboxylic Acid small molecule experimental 415.3189 C21H12F3NO5 DB02699 4-Oxoretinol small molecule experimental 62702-55-0 300.4351 C20H28O2 DB02700 3-Deoxy-D-Glucosamine small molecule experimental 163.1717 C6H13NO4 DB02702 XV638 small molecule experimental 183854-11-7 758.908 C41H38N6O5S2 DB02704 (2R,3R,4R,5R)-3,4-Dihydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,5-bis(2-phenylethyl)hexanediamide small molecule experimental 648.7872 C40H44N2O6 DB02705 6-[N-(1-Isopropyl-1,2,3,4-Tetrahydro-7-Isoquinolinyl)Carbamyl]-2-Naphthalenecarboxamidine small molecule experimental 386.4894 C24H26N4O DB02706 Mercaptocarboxylate Inhibitor small molecule experimental 429.516 C19H19N5O3S2 DB02707 Pentyl Trihydrogen Diphosphate small molecule experimental 248.108 C5H14O7P2 DB02710 2,3,-Dihydroxybenzoylserine small molecule experimental 127658-43-9 241.1974 C10H11NO6 DB02711 4-{2,6,8-Trioxo-9-[(2S,3R,4R)-2,3,4,5-Tetrahydroxypentyl]-1,2,3,6,8,9-Hexahydro-7h-Purin-7-Yl}Butyl Dihydrogen Phosphate small molecule experimental 454.3264 C14H23N4O11P DB02712 Sorbinil small molecule experimental 68367-52-2 236.1992 C11H9FN2O3 DB02713 Acetylamino-Acetic Acid small molecule experimental 543-24-8 117.1033 C4H7NO3 DB02714 3'-Uridinemonophosphate small molecule experimental 84-53-7 324.1813 C9H13N2O9P DB02715 Compound 18 small molecule experimental 31112-66-0 463.588 C27H29NO4S DB02716 7-methyl-guanosine-5'-triphosphate small molecule experimental 538.2149 C11H19N5O14P3 DB02717 Cellotetraose small molecule experimental 38819-01-1 666.5777 C24H42O21 DB02719 C-(1-hydrogyl-beta-D-glucopyranosyl) formamide small molecule experimental 361440-32-6 223.1806 C7H13NO7 DB02720 alpha-D-glucopyranosyl-2-carboxylic acid amide small molecule experimental 58825-13-1 207.1812 C7H13NO6 DB02721 4-Iodopyrazole small molecule experimental 3469-69-0 193.9738 C3H3IN2 DB02722 4-O-methyl-beta-D-glucuronic acid small molecule experimental 208.166 C7H12O7 DB02723 4-Oxo-2-Phenylmethanesulfonyl-Octahydro-Pyrrolo[1,2-a]Pyrazine-6-Carboxylic Acid [1-(N-Hydroxycarbamimidoyl)-Piperidin-4-Ylmethyl]-Amide small molecule experimental 492.592 C22H32N6O5S DB02724 Delta-2-Albomycin A1 small molecule experimental 1045.828 C37H57FeN12O18S DB02725 2-Amino-4-(4-Amino-Cyclohexa-2,5-Dienyl)-Butyric Acid small molecule experimental 196.2462 C10H16N2O2 DB02726 2-Phosphoglycolic Acid small molecule experimental 13147-57-4 156.0313 C2H5O6P DB02727 2-butyl-1-hydroxyguanidine small molecule experimental 140215-98-1 131.1762 C5H13N3O DB02728 7-Hydroxy-2-Oxo-Chromene-3-Carboxylic Acid Ethyl Ester small molecule experimental 234.2048 C12H10O5 DB02729 SD146 small molecule experimental 183854-21-9 824.9243 C49H44N8O5 DB02730 4-Methylthio-Alpha-D-Mannose small molecule experimental 210.248 C7H14O5S DB02731 Ethylmercurithiosalicylic acid small molecule experimental 148-61-8 382.83 C9H10HgO2S DB02732 [(2R,3S,4R,5R)-5-(4-acetonyl-3-carbamoyl-pyridin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphate small molecule experimental 719.4884 C24H31N7O15P2 DB02733 Purvalanol small molecule experimental 432.904 C20H25ClN6O3 DB02734 4-Deoxy-D-Mannuronic Acid small molecule experimental 176.1241 C6H8O6 DB02735 2-Amino-3-Oxo-4-Sulfo-Butyric Acid small molecule experimental 201.15 C3H7NO7S DB02736 Acetamide small molecule experimental 60-35-5 59.0672 C2H5NO DB02738 Adenosine-5'-Pentaphosphate small molecule experimental 667.1408 C10H18N5O19P5 DB02740 3-Indolebutyric Acid small molecule experimental 133-32-4 203.2371 C12H13NO2 DB02741 CD564 small molecule experimental 386.4828 C26H26O3 DB02742 Kifunensine small molecule experimental 109944-15-2 232.1907 C8H12N2O6 DB02743 beta-D-galactopyranosyl-(1->4)-beta-D-galactopyranose small molecule experimental 342.2965 C12H22O11 DB02744 RPR131247 small molecule experimental 445.515 C19H19N5O4S2 DB02745 Uridine small molecule experimental 58-96-8 244.2014 C9H12N2O6 DB02746 Phthalic Acid small molecule experimental 88-99-3 166.1308 C8H6O4 DB02747 Diamino-N-[(4S)-5-anilino-4-{[(2S)-2-{[(1R)-1-carboxyethyl]amino}-4-phenylbutanoyl]amino}-5-oxopentyl]methaniminium small molecule experimental 483.5832 C25H35N6O4 DB02749 Pyromellitic Acid small molecule experimental 89-05-4 254.1498 C10H6O8 DB02750 S-(Methylmercury)-L-Cysteine small molecule experimental 335.77 C4H9HgNO2S DB02751 Glycocyamine small molecule experimental 352-97-6 117.1066 C3H7N3O2 DB02752 Tosyl-D-Proline small molecule experimental 269.317 C12H15NO4S DB02753 Selenoinosine small molecule experimental 40093-99-0 331.19 C10H12N4O4Se DB02754 9-Butyl-8-(3,4,5-Trimethoxybenzyl)-9h-Purin-6-Amine small molecule experimental 371.4335 C19H25N5O3 DB02755 1-3 Sugar Ring of Pentamannosyl 6-Phosphate small molecule experimental 584.417 C18H33O19P DB02756 Pyroquilon small molecule experimental 57369-32-1 173.2111 C11H11NO DB02757 Pyrazole small molecule experimental 288-13-1 68.0773 C3H4N2 DB02758 Indolepropionic acid small molecule experimental 830-96-6 189.2105 C11H11NO2 DB02759 4-methyl-umbelliferyl-N-acetyl-chitobiose small molecule experimental 53643-12-2 582.5538 C26H34N2O13 DB02760 1,6-Di-O-Phosphono-D-Allitol small molecule experimental 342.1316 C6H16O12P2 DB02761 S-Mercaptocysteine small molecule experimental 5652-32-4 153.223 C3H7NO2S2 DB02762 RU79072 small molecule experimental 250.1473 C10H7N2O4P DB02763 5-Mercapto-2-Nitro-Benzoic Acid small molecule experimental 15139-21-6 199.184 C7H5NO4S DB02765 R-9-(2-hydroxypropyl)adenine small molecule experimental 14047-28-0 193.2058 C8H11N5O DB02766 N-[(2R)-4-diazonio-3-oxoniumylidene-1-phenylbutan-2-yl]-1-phenylmethoxymethanimidate small molecule experimental 324.3538 C18H18N3O3 DB02767 (R)-3-hydroxytetradecanoic acid small molecule experimental 28715-21-1 244.3703 C14H28O3 DB02768 Tert-Butyloxycarbonyl Group small molecule experimental 102.1317 C5H10O2 DB02770 7-alpha-D-Ribofuranosyl-2-aminopurine-5'-phosphate small molecule experimental 347.2212 C10H14N5O7P DB02772 Sucrose small molecule approved 57-50-1 342.2965 C12H22O11 DB02773 (3-Chloro-4-Propoxy-Phenyl)-Acetic Acid small molecule experimental 228.672 C11H13ClO3 DB02774 1,3-Propanediol small molecule experimental 504-63-2 76.0944 C3H8O2 DB02776 1-Hexadecanosulfonic Acid small molecule experimental 15015-81-3 306.504 C16H34O3S DB02777 Diundecyl Phosphatidyl Choline small molecule experimental 622.8342 C32H65NO8P DB02778 2,5-Anhydroglucitol-1,6-Biphosphate small molecule experimental 324.1163 C6H14O11P2 DB02779 Dodecyltrimethylammonium small molecule experimental 10182-91-9 228.4372 C15H34N DB02780 Beta-3-Cysteine small molecule experimental 135.185 C4H9NO2S DB02781 4-{(Z)-[2-[3-(Methylsulfanyl)Propanoyl]-5-Oxo-1-(2-Oxoethyl)-1,5-Dihydro-4h-Imidazol-4-Ylidene]Methyl}Benzenolate small molecule experimental 331.366 C16H15N2O4S DB02783 4'-Deoxy-4'-Acetylyamino-Pyridoxal-5'-Phosphate small molecule experimental 322.2085 C10H15N2O8P DB02784 N-(Bromoacetyl)-beta-alanyl-N-(2-{4-[(carboxycarbonyl)amino]phenyl}ethyl)-L-serinamide small molecule experimental 487.302 C18H23BrN4O7 DB02785 (2S)-1-[(2S,4R)-4-Benzyl-2-hydroxy-5-{[(1S,2R,5S)-2-hydroxy-5-methylcyclopentyl]amino}-5-oxopentyl]-4-{[6-chloro-5-(4-methyl-1-piperazinyl)-2-pyrazinyl]carbonyl}-N-(2-methyl-2-propanyl)-2-piperazineca rboxamide small molecule experimental 727.336 C37H55ClN8O5 DB02786 2-Anhydro-3-Fluoro-Quinic Acid small molecule experimental 192.1418 C7H9FO5 DB02787 N-Acetylmannosaminitol small molecule experimental 225.2396 C8H19NO6 DB02788 (S)-acetoin small molecule experimental 88.1051 C4H8O2 DB02789 Pregnenolone small molecule approved 145-13-1 316.4776 C21H32O2 DB02790 Phenyl-uridine-5'-diphosphate small molecule experimental 480.2571 C15H18N2O12P2 DB02792 Deglucobalhimycin small molecule experimental 1303.12 C60H65Cl2N9O20 DB02793 Isochorismic Acid small molecule experimental 22642-82-6 224.169 C10H8O6 DB02794 (2S)-2-({4-[(2S)-1-(2-Amino-4-oxo-1,4-dihydro-6-quinazolinyl)-3-{[2-({(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]tetrahydro-2-furanyl}amino)-2-oxoethyl]amino}-2-hydroxy-2-propanyl]benzoyl}ami no)pentanedioic acid small molecule experimental 752.6197 C30H37N6O15P DB02795 P-Anisic Acid small molecule experimental 100-09-4 152.1473 C8H8O3 DB02796 9-deazainosine small molecule experimental 89458-19-5 267.238 C11H13N3O5 DB02797 3-Nitrophenylboronic Acid small molecule experimental 13331-27-6 166.927 C6H6BNO4 DB02798 Alpha-Methylene Adenosine Monophosphate small molecule experimental 345.2484 C11H16N5O6P DB02799 N-[2-(1-Maleimidyl)Ethyl]-7-Diethylaminocoumarin-3-Carboxamide small molecule experimental 383.3978 C20H21N3O5 DB02800 5-hydroxymethyl-5,6-dihydrofolic acid small molecule experimental 473.4393 C20H23N7O7 DB02801 2,3-Anhydro-quinic acid small molecule experimental 227002-11-1 174.1513 C7H10O5 DB02802 3-(alpha-D-Galactopyranosyloxy)-5-nitrobenzamide small molecule experimental 344.2741 C13H16N2O9 DB02803 3-Phenyl-1,2-Propandiol small molecule experimental 152.1904 C9H12O2 DB02804 A-98881 small molecule experimental 583.6741 C34H37N3O6 DB02805 Arabinouridine 3'-phosphate small molecule experimental 324.1813 C9H13N2O9P DB02806 2-Methoxyethanol small molecule experimental 109-86-4 76.0944 C3H8O2 DB02807 3-deoxy-D-lyxo-hexonic acid small molecule experimental 180.1559 C6H12O6 DB02808 Trifluorofurnesyl Diphosphate small molecule experimental 436.2975 C15H25F3O7P2 DB02809 Brodimoprim-4,6-Dicarboxylate small molecule experimental 496.332 C20H24BrN4O6 DB02810 N-(2-Acetamido)Iminodiacetic Acid small molecule experimental 26239-55-4 190.154 C6H10N2O5 DB02811 Diethyl phosphonate small molecule experimental 762-04-9 138.1021 C4H11O3P DB02812 RWJ-56423 small molecule experimental 446.523 C20H26N6O4S DB02813 2-Acetamido-2-Deoxy-D-Glucono-1,5-Lactone small molecule experimental 19026-22-3 219.1919 C8H13NO6 DB02814 3'-Deazo-Thiamin Diphosphate small molecule experimental 423.318 C13H19N3O7P2S DB02816 7-(1-Methyl-1,2,3-Triazol-4-Yl)-6-Formyl-2,7-Dihydro-[1,4]Thiazepine-3-Carboxylic Acid, Brl42715, C6-(N1-Methyl-1,2,3-Triazolylmethylene)Penem small molecule experimental 266.276 C10H10N4O3S DB02817 5-Exo-Hydroxycamphor small molecule experimental 168.2328 C10H16O2 DB02818 Iodo-Willardiine small molecule experimental 325.0606 C7H8IN3O4 DB02819 Mono-[3,4-Dihydroxy-5-(5-Methyl-Benzoimidazol-1-Yl)-Tetrahydor-Furan-2-Ylmethyl] Ester small molecule experimental 344.257 C13H17N2O7P DB02820 1-Azepan-1-Yl-2-Phenyl-2-(4-Thioxo-1,4-Dihydro-Pyrazolo[3,4-D]Pyrimidin-5-Yl)Ethanone Adduct small molecule experimental 1026.861 C40H44N12O15P2S DB02821 Canaline small molecule experimental 496-93-5 134.1338 C4H10N2O3 DB02822 Para-Bromobenzyl Alcohol small molecule experimental 873-75-6 187.034 C7H7BrO DB02823 Phosphonoacetic Acid small molecule experimental 4408-78-0 140.0319 C2H5O5P DB02824 N-Pyridoxyl-Glycine-5-Monophosphate small molecule experimental 306.2091 C10H15N2O7P DB02825 Methylphosphinate small molecule experimental 79.015 CH4O2P DB02827 7-(1,1-Dioxo-1h-Benzo[D]Isothiazol-3-Yloxymethyl)-2-(Oxalyl-Amino)-4,7-Dihydro-5h-Thieno[2,3-C]Pyran-3-Carboxylic Acid small molecule experimental 466.442 C18H14N2O9S2 DB02828 5-Fluorolevulinic Acid small molecule experimental 76385-49-4 134.1057 C5H7FO3 DB02829 4-(Acetylamino)-3-[(Aminoacetyl)Amino]Benzoic Acid small molecule experimental 252.2466 C11H14N3O4 DB02830 FR236913 small molecule experimental 446.5016 C24H26N6O3 DB02831 Dihydrogenphosphate small molecule experimental 29505-79-1 96.9872 H2O4P DB02832 Siroheme small molecule experimental 52553-42-1 914.645 C42H42FeN4O16 DB02833 [4-(2-Amino-4-Methyl-Thiazol-5-Yl)-Pyrimidin-2-Yl]-(3-Nitro-Phenyl)-Amine small molecule experimental 328.349 C14H12N6O2S DB02834 IDD552 small molecule experimental 414.331 C17H10F4N2O4S DB02835 Alpha-D-Glucose 1,6-Bisphosphate small molecule experimental 10139-18-1 340.1157 C6H14O12P2 DB02836 Guanosine 5'-diphosphate 2':3'-cyclic monophosphate small molecule experimental 505.1651 C10H14N5O13P3 DB02837 4-(Hydrogen sulfate)-beta-D-galactopyranose small molecule experimental 30591-62-9 260.219 C6H12O9S DB02838 3,4-Dihydro-2h-Pyrrolium-5-Carboxylate small molecule experimental 113.1146 C5H7NO2 DB02839 2,4-Dihydroxybenzoic Acid small molecule experimental 89-86-1 154.1201 C7H6O4 DB02840 4-(1,3-Benzodioxol-5-Yl)-5-(5-Ethyl-2,4-Dihydroxyphenyl)-2h-Pyrazole-3-Carboxylic Acid small molecule experimental 368.3401 C19H16N2O6 DB02841 [(2-Ethoxy-1-Naphthoyl)Amino]Methylboronic Acid small molecule experimental 273.092 C14H16BNO4 DB02842 9-amino-n-[3-(dimethylamino)propyl]acridine-4-carboxamide small molecule experimental 322.4042 C19H22N4O DB02843 alpha-D-glucose-1-phosphate small molecule experimental 59-56-3 260.1358 C6H13O9P DB02844 S-Adenosyl-1,8-Diamino-3-Thiooctane small molecule experimental 76426-40-9 423.533 C18H29N7O3S DB02845 Methylphosphinic Acid small molecule experimental 4206-94-4 80.023 CH5O2P DB02846 L-thioproline small molecule experimental 2756-91-4 133.169 C4H7NO2S DB02847 (2s,3r)-1-Amino-2-Methylbutane-2,3-Diol small molecule experimental 119.1622 C5H13NO2 DB02848 {4-[3-(6,7-Diethoxy-Quinazolin-4-Ylamino)-Phenyl]-Thiazol-2-Yl}-Methanol small molecule experimental 422.5 C22H22N4O3S DB02849 N-Pyridoxyl-1-Amino-Cyclopropanecarboxylic Acid-5-Monophosphate small molecule experimental 332.2463 C12H17N2O7P DB02850 DAS869 small molecule experimental 442.528 C23H26N2O5S DB02851 Thiocamphor small molecule experimental 7519-74-6 168.299 C10H16S DB02852 Domoic Acid small molecule experimental 14277-97-5 311.3303 C15H21NO6 DB02853 D-Proline small molecule experimental 344-25-2 115.1305 C5H9NO2 DB02854 Aetiocholanolone small molecule experimental 53-42-9 290.4403 C19H30O2 DB02855 N-(3-Propylcarbamoyloxirane-2-Carbonyl)-Isoleucyl-Proline small molecule experimental 134448-10-5 385.4552 C18H31N3O6 DB02856 Ethyl N-methylcarbamate small molecule experimental 105-40-8 103.1198 C4H9NO2 DB02857 Guanosine small molecule experimental 118-00-3 283.2407 C10H13N5O5 DB02858 3-(4-Benzenesulfonyl-Thiophene-2-Sulfonylamino)-Phenylboronic Acid small molecule experimental 423.291 C16H14BNO6S3 DB02859 Soraphen A small molecule experimental 122547-72-2 520.6549 C29H44O8 DB02860 Calyculin A small molecule experimental 101932-71-2 1009.185 C50H81N4O15P DB02861 4-(Aminosulfonyl)-N-[(3,4,5-Trifluorophenyl)Methyl]-Benzamide small molecule experimental 344.309 C14H11F3N2O3S DB02862 Gluco-Phenylimidazole small molecule experimental 276.2878 C14H16N2O4 DB02864 Biliverdin Ix Gamma Chromophore small molecule experimental 582.6463 C33H34N4O6 DB02865 Glucosamine 4-Phosphate small molecule experimental 259.151 C6H14NO8P DB02866 Dansylamide small molecule experimental 250.317 C12H14N2O2S DB02867 D-Mannose 1-Phosphate small molecule experimental 260.1358 C6H13O9P DB02868 Deacetoxyvinzolidine small molecule experimental 165659-77-8 826.419 C46H56ClN5O7 DB02869 3-amino-5-phenylpentane small molecule experimental 301.403 C17H19NO2S DB02870 N-Allylaniline small molecule experimental 589-09-3 133.1903 C9H11N DB02871 3-Butylthiolane 1-Oxide small molecule experimental 160.277 C8H16OS DB02872 Cis-[4,5-Bis-(4-Bromophenyl)-2-(2-Ethoxy-4-Methoxyphenyl)-4,5-Dihydroimidazol-1-Yl]-[4-(2-Hydroxyethyl)Piperazin-1-Yl]Methanone small molecule experimental 686.434 C31H34Br2N4O4 DB02873 1-(2,6-Dichlorophenyl)-5-(2,4-Difluorophenyl)-7-Piperazin-1-Yl-3,4-Dihydroquinazolin-2(1h)-One small molecule experimental 489.345 C24H20Cl2F2N4O DB02875 CRA_1802 small molecule experimental 270.2617 C14H11FN4O DB02876 3-(4-carbamoyl-1-carboxy-2-methylsulfonyl-buta-1,3-dienylamino)-indolizine-2-carboxylic acid small molecule experimental 377.372 C16H15N3O6S DB02877 Arotinoid acid small molecule experimental 71441-28-6 348.4779 C24H28O2 DB02878 3-(2-Aminoethyl)-4-(Aminomethyl)Heptanedioic Acid small molecule experimental 232.2768 C10H20N2O4 DB02879 2,3-Di-O-Sulfo-Alpha-D-Glucopyranose small molecule experimental 340.282 C6H12O12S2 DB02880 N-[(1R)-1-(4-Bromophenyl)ethyl]-5-fluoro-2-hydroxybenzamide small molecule experimental 163669-81-6 338.172 C15H13BrFNO2 DB02881 4-(4-Hydroxy-3-Isopropylphenylthio)-2-Isopropylphenol small molecule experimental 302.431 C18H22O2S DB02882 Cyanocinnoline small molecule experimental 364.452 C24H20N4 DB02883 2',3'-Dideoxycytidine-5'-Monophosphate small molecule experimental 291.1977 C9H14N3O6P DB02884 3-Cyclohexyl-L-alanine small molecule experimental 27527-05-5 171.2368 C9H17NO2 DB02885 4-Imino-5-Methidyl-2-Trifluoromethylpyrimidine small molecule experimental 175.1113 C6H4F3N3 DB02887 Stavudine triphosphate small molecule experimental 26194-89-8 464.153 C10H15N2O13P3 DB02888 FKB-001 small molecule experimental 624.7146 C35H42F2N2O6 DB02889 4-O-(4,6-Dideoxy-4-{[4,5,6-Trihydroxy-3-(Hydroxymethyl)Cyclohex-2-En-1-Yl]Amino}-Beta-D-Lyxo-Hexopyranosyl)-Alpha-D-Erythro-Hexopyranose small molecule experimental 483.4642 C19H33NO13 DB02890 6-hydroxyuridine-5'-phosphate small molecule experimental 29741-00-2 340.1807 C9H13N2O10P DB02891 Tricyclazole small molecule experimental 41814-78-2 189.237 C9H7N3S DB02892 L-2-Amino-6-Methylene-Pimelic Acid small molecule experimental 187.1931 C8H13NO4 DB02893 D-Methionine small molecule approved 348-67-4 149.211 C5H11NO2S DB02894 Sulfamic Acid 2,3-O-(1-Methylethylidene)-4,5-O-Sulfonyl-Beta-Fructopyranose Ester small molecule experimental 361.346 C9H15NO10S2 DB02895 3-(Prop-2-Ene-1-Sulfinyl)-Propene-1-Thiol small molecule experimental 162.273 C6H10OS2 DB02896 Methylthioinosine small molecule experimental 342-69-8 298.318 C11H14N4O4S DB02897 Acetylphosphate small molecule experimental 140.0319 C2H5O5P DB02898 (5R)-5-{[(2-Amino-3H-purin-6-yl)oxy]methyl}-2-pyrrolidinone small molecule experimental 248.2413 C10H12N6O2 DB02899 N-Carboxymethionine small molecule experimental 193.221 C6H11NO4S DB02900 alpha-D-mannose 6-phosphate small molecule experimental 40436-60-0 260.1358 C6H13O9P DB02902 3'-phospho-5'-adenylyl sulfate small molecule experimental 482-67-7 507.264 C10H15N5O13P2S DB02903 1,3-bis-([[3-(4-{3-[3-nitro-5-(galactopyranosyloxy)-benzoylamino]-propyl}-piperazin-1-yl)-propylamino-3,4-dioxo-cyclobutenyl]-amino-ethyl]-amino-carbonyloxy)-2-amino-propane small molecule experimental 1474.4815 C63H91N15O26 DB02904 Beta-3-Serine small molecule experimental 119.1192 C4H9NO3 DB02905 N7-(5'-Phospho-alpha-ribosyl)-2-hydroxypurine small molecule experimental 348.206 C10H13N4O8P DB02906 (2s,4s)-Alpha-Campholinic Acid small molecule experimental 186.2481 C10H18O3 DB02907 2-Amino-Vinyl-Phosphate small molecule experimental 139.0471 C2H6NO4P DB02908 RU78783 small molecule experimental 252.0982 C7H10O6P2 DB02909 5-(2-Chlorophenyl)Furan-2-Carboxylic Acid small molecule experimental 222.624 C11H7ClO3 DB02910 Octanoyl-Coenzyme A small molecule experimental 893.73 C29H50N7O17P3S DB02911 2,4-Diamino-6-Phenyl-5,6,7,8,-Tetrahydropteridine small molecule experimental 242.2798 C12H14N6 DB02912 Propanoyl-CoA small molecule experimental 317-66-8 823.597 C24H40N7O17P3S DB02914 Anhydrovitamin A small molecule experimental 1224-78-8 268.4363 C20H28 DB02915 4-(2,4-Dimethyl-1,3-thiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]-2-pyrimidinamine small molecule experimental 350.361 C16H13F3N4S DB02916 [(2r,3s,4r,5r)-5-(6-Amino-9h-Purin-9-Yl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methyl Sulfamate small molecule experimental 346.32 C10H14N6O6S DB02917 N-Hydroxy-4-(Methyl{[5-(2-Pyridinyl)-2-Thienyl]Sulfonyl}Amino)Benzamide small molecule experimental 389.449 C17H15N3O4S2 DB02918 Zardaverine small molecule experimental 101975-10-4 268.2162 C12H10F2N2O3 DB02919 2,4-Diamino-6-[N-(3',4',5'-Trimethoxybenzyl)-N-Methylamino]Pyrido[2,3-D]Pyrimidine small molecule experimental 370.4057 C18H22N6O3 DB02920 Zn(Ii)-(20-Oxo-Protoporphyrin Ix) small molecule experimental 642.051 C34H32N4O5Zn DB02921 (South)-Methanocarba-Thymidine small molecule experimental 252.2664 C12H16N2O4 DB02922 Hexafluoroacetone Hydrate small molecule experimental 184.0372 C3H2F6O2 DB02923 Biphenyl-2,3-Diol small molecule experimental 1133-63-7 186.2066 C12H10O2 DB02924 (4R)-limonene 1ฆม,2ฆม-epoxide small molecule experimental 6909-30-4 152.2334 C10H16O DB02927 Mixed Carbamic Phosphoric Acid Anhydride of 7,8-Diaminononanic Acid small molecule experimental 312.2567 C10H21N2O7P DB02928 3-Amino-6-Hydroxy-Tyrosine small molecule experimental 212.2026 C9H12N2O4 DB02929 K201 free base small molecule experimental 145903-06-6 424.599 C25H32N2O2S DB02930 Adenosine 5'-[gamma-thio]triphosphate small molecule experimental 35094-46-3 523.247 C10H16N5O12P3S DB02931 CoA-s-acetyl tryptamine small molecule experimental 967.771 C33H48N9O17P3S DB02932 (R)-Bicalutamide small molecule experimental 113299-40-4 430.373 C18H14F4N2O4S DB02933 5'-Deoxy-5'-(Methylthio)-Tubercidin small molecule experimental 296.345 C12H16N4O3S DB02934 9-(6-deoxy-alpha-L-talofuranosyl)-6-methylpurine small molecule experimental 280.2798 C12H16N4O4 DB02935 Diglyme small molecule experimental 111-96-6 134.1736 C6H14O3 DB02936 4-(1-Benzyl-3-Carbamoylmethyl-2-Methyl-1h-Indol-5-Yloxy)-Butyric Acid small molecule experimental 380.437 C22H24N2O4 DB02937 Gamma-Arsono-Beta, Gamma-Methyleneadenosine-5'-Diphosphate small molecule experimental 549.156 C11H18AsN5O12P2 DB02938 Heptanoic acid small molecule experimental 111-14-8 130.1849 C7H14O2 DB02940 (4s)-2-[(1e)-1-Aminoprop-1-Enyl]-4,5-Dihydro-1,3-Thiazole-4-Carboxylic Acid small molecule experimental 186.231 C7H10N2O2S DB02941 3-(1-Aminoethyl)Nonanedioic Acid small molecule experimental 231.2887 C11H21NO4 DB02942 Inositol 1,3-Bisphosphate small molecule experimental 340.1157 C6H14O12P2 DB02943 N-(4-Aminobutanoyl)-S-(4-methoxybenzyl)-L-cysteinylglycine small molecule experimental 383.463 C17H25N3O5S DB02945 alpha-L-iduronic acid small molecule experimental 71031-08-8 194.1394 C6H10O7 DB02946 Carpropamide small molecule experimental 127640-90-8 334.669 C15H18Cl3NO DB02947 2-Fluoro-2'-Deoxyadenosine small molecule experimental 269.2324 C10H12FN5O3 DB02948 Fosmidomycin small molecule experimental 66508-53-0 183.0997 C4H10NO5P DB02949 2-Acetyl-Protoporphyrin Ix small molecule experimental 634.503 C34H34FeN4O5 DB02950 Hymenialdisine small molecule experimental 324.133 C11H10BrN5O2 DB02951 3-Hydroxypyruvic Acid small molecule experimental 1113-60-6 104.0615 C3H4O4 DB02952 2-aminoisobutyric acid small molecule experimental 62-57-7 103.1198 C4H9NO2 DB02953 2-Thiomethyl-3-Phenylpropanoic Acid small molecule experimental 196.266 C10H12O2S DB02954 (Carboxyhydroxyamino)Ethanoic Acid small molecule experimental 135.0755 C3H5NO5 DB02955 Ricinoleic Acid small molecule experimental 141-22-0 298.467 C18H34O3 DB02956 Pentasulfide-Sulfur small molecule experimental 160.325 S5 DB02957 Orotidylic acid small molecule experimental 2149-82-8 368.1908 C10H13N2O11P DB02958 Selenomethionine Selenoxide small molecule experimental 212.11 C5H11NO3Se DB02960 1-Carboxyethylaminomethyl-4-Aminomethylbenzene small molecule experimental 209.2649 C11H17N2O2 DB02961 Rhamnose small molecule experimental 3615-41-6 164.1565 C6H12O5 DB02962 Benzimidazole small molecule experimental 51-17-2 118.1359 C7H6N2 DB02963 (5-Chloropyrazolo[1,5-a]Pyrimidin-7-Yl)-(4-Methanesulfonylphenyl)Amine small molecule experimental 322.77 C13H11ClN4O2S DB02964 8,9,10-Trihydroxy-7-hydroxymethyl-2-thioxo-6-oxa-1,3-diaza-spiro[4.5]decan-4-one small molecule experimental 227458-60-8 264.256 C8H12N2O6S DB02965 Ndelta-(N'-Sulphodiaminophosphinyl)-L-Ornithine small molecule experimental 290.235 C5H15N4O6PS DB02966 Fluoro-Willardiine small molecule experimental 217.1545 C7H8FN3O4 DB02967 N-Ethylmaleimide small molecule experimental 128-53-0 125.1253 C6H7NO2 DB02968 Penicillin G Acyl-Serine small molecule experimental 437.467 C19H23N3O7S DB02969 5-(2-hydroxyethyl)-4-methylthiazole small molecule experimental 137-00-8 143.207 C6H9NOS DB02970 2-Propyl-Aniline small molecule experimental 135.2062 C9H13N DB02971 2-Amino-4-(2-Amino-Ethoxy)-Butyric Acid small molecule experimental 162.187 C6H14N2O3 DB02972 1-Benzyl-(R)-Propylamine small molecule experimental 149.2328 C10H15N DB02973 4-(5-Bromo-2-Oxo-2h-Indol-3-Ylazo)-Benzenesulfonamide small molecule experimental 393.215 C14H9BrN4O3S DB02974 4-(4-Chlorophenyl)Imidazole small molecule experimental 178.618 C9H7ClN2 DB02975 GE-2270A small molecule experimental 134861-34-0 1290.51 C56H55N15O10S6 DB02976 Uridine-5'-diphosphate-2-deoxy-2-fluorogalactose small molecule experimental 568.2928 C15H23FN2O16P2 DB02977 PNU177836 small molecule experimental 605.7196 C31H47N3O9 DB02978 Beta-Hydroxyleucine small molecule experimental 147.1723 C6H13NO3 DB02979 N1,N14-Bis((S-Methyl)Isothioureido)Tetradecane small molecule experimental 374.651 C18H38N4S2 DB02980 Thymidine-5'-(dithio)phosphate small molecule experimental 354.34 C10H15N2O6PS2 DB02981 Vitamin B6 Complexed with 2-Amino-Hexanoic Acid small molecule experimental 362.3154 C14H23N2O7P DB02982 Bombykol small molecule experimental 238.4088 C16H30O DB02983 Para-Mercury-Benzenesulfonic Acid small molecule experimental 357.76 C6H5HgO3S DB02984 4-[3-Methylsulfanylanilino]-6,7-Dimethoxyquinazoline small molecule experimental 327.401 C17H17N3O2S DB02985 8-iodo-guanine small molecule experimental 277.0226 C5H4IN5O DB02986 N-(2-Thienylmethyl)-2,5-Thiophenedisulfonamide small molecule experimental 338.447 C9H10N2O4S4 DB02987 Cysteine-S-acetamide small molecule experimental 17528-66-4 178.21 C5H10N2O3S DB02988 Imino-Tryptophan small molecule experimental 202.2093 C11H10N2O2 DB02989 CRA_10972 small molecule experimental 358.822 C18H19ClN4O2 DB02990 S-(2-Acetamidoethyl) hexadecanethioate small molecule experimental 357.594 C20H39NO2S DB02991 S-Ethyl-N-[4-(Trifluoromethyl)Phenyl]Isothiourea small molecule experimental 248.268 C10H11F3N2S DB02992 1-Deoxy-6-O-Phosphono-1-[(Phosphonomethyl)Amino]-L-Threo-Hexitol small molecule experimental 355.1734 C7H19NO11P2 DB02993 8-Methyl-9-Oxoguanine small molecule experimental 166.1374 C6H6N4O2 DB02994 Cacodylic acid small molecule experimental 75-60-5 137.9974 C2H7AsO2 DB02995 Cyclohexylammonium Ion small molecule experimental 100.1821 C6H14N DB02996 2-(Thiomethylene)-4-Methylpentanoic Acid small molecule experimental 162.25 C7H14O2S DB02998 Metribolone small molecule experimental 965-93-5 284.3927 C19H24O2 DB02999 Quisqualic acid small molecule experimental 52809-07-1 189.1262 C5H7N3O5 DB03000 S-9-(2-hydroxypropyl)adenine small molecule experimental 14047-27-9 193.2058 C8H11N5O DB03001 Peridinin small molecule experimental 33281-81-1 630.8101 C39H50O7 DB03002 p-Iodophenol small molecule experimental 540-38-5 220.0078 C6H5IO DB03003 Glutathione sulfonic acid small molecule experimental 3773-07-7 355.322 C10H17N3O9S DB03004 (2S)-2-amino-6-[[(3R,4R)-1-[(1S)-1-carboxy-2-[(S)-methylsulfinyl]ethyl]-2-oxo-4-sulfanylazetidin-3-yl]amino]-6-oxohexanoic acid small molecule experimental 395.452 C13H21N3O7S2 DB03005 3,8-Diamino-6-Phenyl-5-[6-[1-[2-[(1,2,3,4-Tetrahydro-9-Acridinyl)Amino]Ethyl]-1h-1,2,3-Triazol-5-Yl]Hexyl]-Phenanthridinium small molecule experimental 661.8603 C42H45N8 DB03006 Arsanilic acid small molecule experimental 98-50-0 217.0542 C6H8AsNO3 DB03007 9r,13r-Opda small molecule experimental 292.4131 C18H28O3 DB03008 5-fluoro-beta-L-gulosyl fluoride small molecule experimental 200.1374 C6H10F2O5 DB03009 2-{[2-Oxo-2-(1-piperidinyl)ethyl]sulfanyl}-6-(trifluoromethyl)-4(1H)-pyrimidinone small molecule experimental 321.319 C12H14F3N3O2S DB03010 Patupilone small molecule experimental 152044-54-7 507.683 C27H41NO6S DB03011 Adenosine-5'-(Dithio)Phosphate small molecule experimental 379.352 C10H14N5O5PS2 DB03012 Phenylalanine-N-Sulfonamide small molecule experimental 244.268 C9H12N2O4S DB03013 N-acetyl-beta-D-glucosaminyl-(1->4)-N-acetyl-beta-D-glucosamine small molecule experimental 35061-50-8 424.4003 C16H28N2O11 DB03015 6-hydroxy-1,6-dihydro purine nucleoside small molecule experimental 271.2499 C10H15N4O5 DB03016 CRA_1801 small molecule experimental 253.2593 C13H11N5O DB03017 Lauric acid small molecule approved 143-07-7 200.3178 C12H24O2 DB03018 3,4-dimethylaniline small molecule experimental 95-64-7 121.1796 C8H11N DB03019 4-(2,5-Dichloro-Thiophen-3-Yl)-Pyrimidin-2-Ylamine small molecule experimental 246.116 C8H5Cl2N3S DB03020 5-beta-D-ribofuranosylnicotinamide adenine dinucleotide small molecule experimental 663.4251 C21H27N7O14P2 DB03021 Ulapualide A small molecule experimental 883.0352 C46H66N4O13 DB03022 3-[2,6,8-Trioxo-9-[(2R,3S,4R)-2,3,4,5-tetrahydroxypentyl]-3H-purin-7-yl]propyl dihydrogen phosphate small molecule experimental 440.2998 C13H21N4O11P DB03023 1-Tert-Butyl-3-(4-Chloro-Phenyl)-1h-Pyrazolo[3,4-D]Pyrimidin-4-Ylamine small molecule experimental 302.782 C15H17ClN5 DB03024 2-Methyl-3-(2-Aminothiazolo)Propanal small molecule experimental 170.232 C7H10N2OS DB03025 (S)-oct-1-en-3-ol small molecule experimental 24587-53-9 128.212 C8H16O DB03026 Phosphoglycolohydroxamic Acid small molecule experimental 51528-59-7 171.0459 C2H6NO6P DB03028 1h-Benoximidazole-2-Carboxylic Acid small molecule experimental 162.1454 C8H6N2O2 DB03030 4-(2-Thienyl)-1-(4-Methylbenzyl)-1h-Imidazole small molecule experimental 254.35 C15H14N2S DB03031 Adamantane-1-Carboxylic Acid-5-Dimethylamino-Naphthalene-1-Sulfonylamino-Octyl-Amide small molecule experimental 539.772 C31H45N3O3S DB03032 S-octylglutathione small molecule experimental 419.536 C18H33N3O6S DB03033 4-methoxybenzenesulfinate small molecule experimental 171.19 C7H7O3S DB03034 D-Levofloxacin small molecule experimental 100986-86-5 361.3675 C18H20FN3O4 DB03035 1,8-Di-Hydroxy-4-Nitro-Anthraquinone small molecule experimental 285.2085 C14H7NO6 DB03037 Oxidized Acetyl Dithranol small molecule experimental 298.247 C16H10O6 DB03038 LY341770 small molecule experimental 451.4386 C20H21N9O4 DB03039 4-(Aminosulfonyl)-N-[(2,5-Difluorophenyl)Methyl]-Benzamide small molecule experimental 326.318 C14H12F2N2O3S DB03040 Nitrilotriacetic acid small molecule experimental 139-13-9 191.1388 C6H9NO6 DB03041 UDP-alpha-D-glucuronic acid small molecule experimental 2616-64-0 580.2853 C15H22N2O18P2 DB03042 5-Phosphoarabinonic Acid small molecule experimental 246.1092 C5H11O9P DB03043 (S)-2-Amino-3-(6h-Selenolo[2,3-B]-Pyrrol-4-Yl)-Propionic Acid small molecule experimental 257.15 C9H10N2O2Se DB03045 Pantothenyl-Aminoethanol-Acetate Pivalic Acid small molecule experimental 388.4559 C18H32N2O7 DB03046 7-Methoxy-8-[1-(Methylsulfonyl)-1h-Pyrazol-4-Yl]Naphthalene-2-Carboximidamide small molecule experimental 344.388 C16H16N4O3S DB03047 L-Alpha-Phosphatidyl-Beta-Oleoyl-Gamma-Palmitoyl-Phosphatidylethanolamine small molecule experimental 709.9329 C39H68NO8P DB03048 6-Carboxymethyluracil small molecule experimental 170.1228 C6H6N2O4 DB03049 S-Selanyl Cysteine small molecule experimental 200.12 C3H7NO2SSe DB03051 (S)-2-Tetrahydrofuroic acid small molecule experimental 87392-05-0 116.1152 C5H8O3 DB03052 Dazoxiben small molecule experimental 78218-09-4 232.2353 C12H12N2O3 DB03053 1-Aminocyclopropylphosphonate small molecule experimental 136.0663 C3H7NO3P DB03054 Bromoform small molecule experimental 75-25-2 252.731 CHBr3 DB03056 4-Piperidino-Piperidine small molecule experimental 168.2792 C10H20N2 DB03057 Malonaldehyde small molecule experimental 542-78-9 72.0627 C3H4O2 DB03058 2-Aminobenzyl alcohol small molecule experimental 5344-90-1 123.1525 C7H9NO DB03059 Acetoacetyl-CoA small molecule experimental 1420-36-6 851.607 C25H40N7O18P3S DB03060 Sri-9662 small molecule experimental 337.3758 C18H19N5O2 DB03061 (R)-N-(1-Methyl-Hexyl)-Formamide small molecule experimental 143.2267 C8H17NO DB03062 (1-Methyl-1h-Imidazol-2-Yl)-(3-Methyl-4-{3-[(Pyridin-3-Ylmethyl)-Amino]-Propoxy}-Benzofuran-2-Yl)-Methanone small molecule experimental 404.4617 C23H24N4O3 DB03063 N-[(2S,3S)-4-[2-[(5S)-3a,4,5,6,7,7a-Hexahydro-1,3-benzodioxol-5-yl]ethyl-[3-(1,3-dioxoisoindol-2-yl)propanoyl]amino]-3-hydroxy-1-phenylbutan-2-yl]-3,5-dimethoxy-4-phenylmethoxybenzamide small molecule experimental 805.9112 C46H51N3O10 DB03064 3-Decyl-2,5-Dioxo-4-Hydroxy-3-Pyrroline small molecule experimental 253.3373 C14H23NO3 DB03065 7-Nitroindazole-2-Carboxamidine small molecule experimental 205.1735 C8H7N5O2 DB03066 D-Lactic acid small molecule experimental 10326-41-7 90.0779 C3H6O3 DB03067 4-{2,4-Bis[(3-Nitrobenzoyl)Amino]Phenoxy}Phthalic Acid small molecule experimental 586.4627 C28H18N4O11 DB03068 Zebularine small molecule experimental 3690-10-6 228.202 C9H12N2O5 DB03069 Cytidine-5'-diphospho-beta-D-xylose small molecule experimental 535.291 C14H23N3O15P2 DB03070 Selenazole-4-carboxyamide-adenine dinucleotide small molecule experimental 716.35 C19H25N7O14P2Se DB03071 4-Methylidene-5-One small molecule experimental 199.2071 C8H13N3O3 DB03072 2-{3-[4-(4-Fluorophenyl)-3,6-Dihydro-1(2h)-Pyridinyl]Propyl}-8-Methyl-4(3h)-Quinazolinone small molecule experimental 377.4546 C23H24FN3O DB03073 3-Methoxybenzamide small molecule experimental 5813-86-5 151.1626 C8H9NO2 DB03074 7-cyano-7-deazaguanine small molecule experimental 175.1475 C7H5N5O DB03075 (Diphosphono)Aminophosphonic Acid small molecule experimental 256.9702 H6NO9P3 DB03076 3-[[(3R,4S,5S,6R)-7-Benzyl-4,5-dihydroxy-1,1-dioxo-3,6-bis(phenoxymethyl)-1,2,7-thiadiazepan-2-yl]methyl]-N-methylbenzamide small molecule experimental 631.738 C34H37N3O7S DB03077 3-Amino-4-{3-[2-(2-Propoxy-Ethoxy)-Ethoxy]-Propylamino}-Cyclobut-3-Ene-1,2-Dione small molecule experimental 300.3508 C14H24N2O5 DB03078 PASBN small molecule experimental 292.2238 C14H13O5P DB03079 Alpha-Ribazole-5'-Phosphate Derivative small molecule experimental 330.2305 C12H15N2O7P DB03081 [N-[N-(4-Methoxy-2,3,6-trimethylphenylsulfonyl)-L-aspartyl]-D-(4-amidino-phenylalanyl)]-piperidine small molecule experimental 146663-95-8 601.714 C29H39N5O7S DB03082 6-[(Z)-Amino(Imino)Methyl]-N-[4-(Aminomethyl)Phenyl]-4-(Pyrimidin-2-Ylamino)-2-Naphthamide small molecule experimental 411.4591 C23H21N7O DB03083 IC261 small molecule experimental 311.3319 C18H17NO4 DB03084 Cyclopropyl-{4-[5-(3,4-Dichlorophenyl)-2-[(1-Methyl)-Piperidin]-4-Yl-3-Propyl-3h-Imidazol-4-Yl]-Pyrimidin-2-Yl}Amine small molecule experimental 485.452 C25H30Cl2N6 DB03086 N'-(2s,3r)-3-Amino-4-Cyclohexyl-2-Hydroxy-Butano-N-(4-Methylphenyl)Hydrazide small molecule experimental 305.4152 C17H27N3O2 DB03087 2-(Sec-Butyl)Thiazole small molecule experimental 141.234 C7H11NS DB03090 Ethylaminobenzylmethylcarbonyl Group small molecule experimental 304.3841 C17H24N2O3 DB03091 Isoglutamine small molecule experimental 636-65-7 146.1445 C5H10N2O3 DB03092 5-Hydroxymethyl-Chonduritol small molecule experimental 176.1672 C7H12O5 DB03093 8-(2,5-Dimethoxy-Benzyl)-2-Fluoro-9h-Purin-6-Ylamine small molecule experimental 303.2917 C14H14FN5O2 DB03094 3,5-Dihydro-5-Methylidene-4h-Imidazol-4-On small molecule experimental 216.2376 C8H16N4O3 DB03095 Tetramethylammonium small molecule experimental 51-92-3 74.1448 C4H12N DB03096 2-Morpholinoethylamine small molecule experimental 2038-03-1 130.1882 C6H14N2O DB03097 PMP-hydroxyisoxazole, pyridoxamine-5-phosphate-hydroxyisoxazole small molecule experimental 331.2185 C11H14N3O7P DB03098 [Methylseleno]Acetate small molecule experimental 152.03 C3H5O2Se DB03099 5-Amino 6-Nitro Uracil small molecule experimental 172.099 C4H4N4O4 DB03100 6-Nitroindazole small molecule experimental 163.1335 C7H5N3O2 DB03101 Ribose-1-Phosphate small molecule experimental 230.1098 C5H11O8P DB03102 2-(Oxalyl-Amino)-4,7-Dihydro-5h-Thieno[2,3-C]Pyran-3-Carboxylic Acid small molecule experimental 271.247 C10H9NO6S DB03103 Thymidine-5'- Diphosphate small molecule experimental 402.1884 C10H16N2O11P2 DB03104 2-[4-[(Z)-2-Acetamido-3-oxo-3-[[(3S)-2-oxo-1-[(4-phenylphenyl)methyl]azepan-3-yl]amino]prop-1-enyl]-2-formylphenyl]acetic acid small molecule experimental 567.6316 C33H33N3O6 DB03105 L-Pentahomoserine small molecule experimental 6152-89-2 133.1457 C5H11NO3 DB03107 beta-Alanine small molecule experimental 107-95-9 89.0932 C3H7NO2 DB03108 4-phospho-D-erythronic acid small molecule experimental 216.0832 C4H9O8P DB03109 2-acetylamino-2-deoxy-b-D-allopyranose small molecule experimental 221.2078 C8H15NO6 DB03110 2-Chlorophenol small molecule experimental 95-57-8 128.556 C6H5ClO DB03111 Glucosamine 1-Phosphate small molecule experimental 259.151 C6H14NO8P DB03112 6-(2-Oxo-Hexahydro-Thieno[3,4-D]Imidazol-4-Yl)-Hexanoic Acid small molecule experimental 258.337 C11H18N2O3S DB03113 3-Fluoro-2-(Phosphonooxy)Propanoic Acid small molecule experimental 188.0483 C3H6FO6P DB03114 PAS219 small molecule experimental 298.2714 C14H19O5P DB03115 5-Bromo-N-[(2S)-2,3-dihydroxypropoxy]-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide small molecule experimental 561.089 C16H13BrF3IN2O4 DB03116 5-(1-Carboxy-1-Phosphonooxy-Ethoxyl)-Shikimate-3-Phosphate small molecule experimental 422.1732 C10H16O14P2 DB03117 2-carboxypropyl-coenzyme A small molecule experimental 853.623 C25H42N7O18P3S DB03118 (2Z)-1-(5-Chloro-1H-indol-3-yl)-3-hydroxy-3-(1H-tetrazol-5-yl)-2-propen-1-one small molecule experimental 289.677 C12H8ClN5O2 DB03120 p-Toluenesulfonic acid small molecule experimental 104-15-4 172.202 C7H8O3S DB03121 (1-Benzyl-5-methoxy-2-methyl-1H-indol-3-yl)acetic acid small molecule experimental 59283-35-1 309.3591 C19H19NO3 DB03124 5-[4-(1-Carboxymethyl-2-Oxo-Propylcarbamoyl)-Benzylsulfamoyl]-2-Hydroxy-Benzoic Acid small molecule experimental 464.446 C20H20N2O9S DB03125 2,4-Diamino-5-(3,4,5-Trimethoxy-Benzyl)-Pyrimidin-1-Ium small molecule experimental 291.3257 C14H19N4O3 DB03126 Mant-Adp small molecule experimental 544.349 C18H22N6O10P2 DB03127 Benzamidine small molecule experimental 618-39-3 121.1598 C7H9N2 DB03129 Diamino-N-[3-(1,3,2-dioxaborolan-2-yloxy)propyl]methaniminium small molecule experimental 188.013 C6H15BN3O3 DB03130 S-P-Nitrobenzyloxycarbonylglutathione small molecule experimental 488.469 C18H24N4O10S DB03132 3-(2-Benzothiazolylthio)-1-Propanesulfonic Acid small molecule experimental 289.394 C10H11NO3S3 DB03133 2-(Beta-D-Glucopyranosyl)-5-Methyl-1,2,3-Benzimidazole small molecule experimental 294.3031 C14H18N2O5 DB03134 L-2-aminopimelic acid small molecule experimental 26630-55-7 175.1824 C7H13NO4 DB03135 [2(Formyl-Hydroxy-Amino)-Ethyl]-Phosphonic Acid small molecule experimental 169.0731 C3H8NO5P DB03136 4-Iodobenzo[B]Thiophene-2-Carboxamidine small molecule experimental 303.143 C9H8IN2S DB03137 8-(2,5-Dimethoxy-Benzyl)-2-Fluoro-9-Pent-9h-Purin-6-Ylamine small molecule experimental 369.3928 C19H20FN5O2 DB03138 Perchlorate small molecule experimental 14797-73-0 99.451 ClO4 DB03139 6-[5-(2-Oxo-Hexahydro-Thieno[3,4-D]Imidazol-4-Yl)-Pentanoylamino]-Hexanoic Acid small molecule experimental 357.468 C16H27N3O4S DB03140 4-Carboxyphenylboronic Acid small molecule experimental 165.939 C7H7BO4 DB03141 3-{[(5R,6R)-5-Benzyl-6-hydroxy-2,4-bis(4-hydroxybenzyl)-3-oxo-1,2,4-triazepan-1-yl]sulfonyl}benzonitril small molecule experimental 598.669 C32H30N4O6S DB03142 Alpha-L-Arabinose small molecule experimental 150.1299 C5H10O5 DB03143 Nonan-1-Ol small molecule experimental 28473-21-4 144.2545 C9H20O DB03144 N(5)-[(hydroxyamino)(imino)methyl]-L-ornithine small molecule experimental 190.2004 C6H14N4O3 DB03145 4-Methyl-5-Hydroxyethylthiazole Phosphate small molecule experimental 223.187 C6H10NO4PS DB03146 2-deazo-6-thiophosphate guanosine-5'-monophosphate small molecule experimental 445.259 C10H15N4O10P2S DB03148 Adenosine 5'-methylenediphosphate small molecule experimental 3768-14-7 425.2283 C11H17N5O9P2 DB03150 2',3'-Dideoxythymidine-5'-Monophosphate small molecule experimental 306.2091 C10H15N2O7P DB03151 mu4-sulfido-quadro-tetracopper small molecule experimental 286.249 Cu4S DB03152 B-2-Octylglucoside small molecule experimental 292.3685 C14H28O6 DB03153 3H-pyrazolo[4,3-d]pyrimidin-7-ol small molecule experimental 136.1115 C5H4N4O DB03154 {[7-(Difluoro-Phosphono-Methyl)-Naphthalen-2-Yl]-Difluoro-Methyl}-Phosphonic Acid small molecule experimental 388.1453 C12H10F4O6P2 DB03155 2'-fluoro-2'-deoxyuridine 3'-monophosphate small molecule experimental 326.1723 C9H12FN2O8P DB03156 beta-D-glucuronic acid small molecule experimental 23018-83-9 194.1394 C6H10O7 DB03157 N,O-Didansyl-L-Tyrosine small molecule experimental 647.761 C33H33N3O7S2 DB03158 D-Myo-Inositol-1,4-Bisphosphate small molecule experimental 47055-78-7 340.1157 C6H14O12P2 DB03159 CRA_8696 small molecule experimental 327.3792 C21H17N3O DB03160 N-Pyridoxyl-7-Keto-8-Aminopelargonic Acid-5'-Monophosphate small molecule experimental 418.3786 C17H27N2O8P DB03161 Thymidine-5'-diphospho-beta-D-xylose small molecule experimental 534.303 C15H24N2O15P2 DB03162 4-oxo-4,5-dihydro-1,2,5-thiadiazole-3-carboxylic acid small molecule experimental 45654-48-6 146.125 C3H2N2O3S DB03163 2-oxopropyl-CoM small molecule experimental 198.26 C5H10O4S2 DB03164 6-amino-1-methyl-7H-purin-1-ium small molecule experimental 150.1612 C6H8N5 DB03165 2-Dimethylamino-Ethyl-Diphosphate small molecule experimental 249.096 C4H13NO7P2 DB03167 Pentabromophenol small molecule experimental 608-71-9 488.592 C6HBr5O DB03168 Nicotinamide adenine dinucleotide cyclohexanone small molecule experimental 759.5522 C27H35N7O15P2 DB03169 (S)-Hmg-Coa small molecule experimental 906.62 C27H39N7O20P3S DB03170 Dephospho Coenzyme A small molecule experimental 687.554 C21H35N7O13P2S DB03171 Indole-3-Propanol Phosphate small molecule experimental 255.2069 C11H14NO4P DB03172 Tubercidin small molecule experimental 69-33-0 266.2533 C11H14N4O4 DB03173 CRA_10433 small molecule experimental 335.3996 C20H21N3O2 DB03174 Phosphonoacetaldehyde small molecule experimental 124.0325 C2H5O4P DB03175 Propyl alcohol small molecule approved 71-23-8 60.095 C3H8O DB03176 KB-141 small molecule experimental 219691-94-8 355.213 C17H16Cl2O4 DB03177 5-methylbenzimidazole small molecule experimental 614-97-1 132.1625 C8H8N2 DB03178 Guanosine-2',3'-cyclophosphorothioate small molecule experimental 38557-85-6 361.271 C10H12N5O6PS DB03179 Sinapoyl coenzyme A small molecule experimental 971.713 C32H44N7O20P3S DB03180 4,5-Dimethyl-1,2-phenylenediamine small molecule experimental 3171-45-7 136.1943 C8H12N2 DB03181 2-[4-(4-Hydroxy-3-Isopropyl-Phenoxy)-3,5-Dimethyl-Phenyl]-2h-[1,2,4]Triazine-3,5-Dione small molecule experimental 367.3984 C20H21N3O4 DB03182 alpha-Fluoro-carboxymethyldethia coenzyme A complex small molecule experimental 811.5 C23H37FN7O18P3 DB03183 1-(4-Aminophenyl)-3,5-Dimethyl-1h-Pyrazole-4-Carboxylic Acid Ethyl Ester small molecule experimental 259.3037 C14H17N3O2 DB03184 5-Amino-3-Methyl-Pyrrolidine-2-Carboxylic Acid small molecule experimental 144.1717 C6H12N2O2 DB03185 1-Beta-Ribofuranosyl-1,3-Diazepinone small molecule experimental 242.2286 C10H14N2O5 DB03186 Adenylate-3'-phosphate-[[2'-deoxy-uridine-5'-phosphate]-3'-phosphate] small molecule experimental 797.3476 C19H27N7O20P4 DB03187 6-(Hydroxyethyldithio)-8-(Aminomethylthio)Octanoic Acid small molecule experimental 313.5 C11H23NO3S3 DB03189 Cu-Cyclam small molecule experimental 263.87 C10H24CuN4 DB03190 6-o-Capryloylsucrose small molecule experimental 136152-82-4 468.4926 C20H36O12 DB03191 3-Oxiran-2ylalanine small molecule experimental 131.1299 C5H9NO3 DB03192 (R)-3-hydroxydecanoyl-CoA small molecule experimental 937.783 C31H54N7O18P3S DB03193 Stearic acid small molecule approved 57-11-4 284.4772 C18H36O2 DB03194 Methyl beta-L-fucopyranoside small molecule experimental 24332-98-7 178.1831 C7H14O5 DB03195 3'-Fluoro-3'-deoxythymidine 5'-monophosphate small molecule experimental 25520-83-6 324.1995 C10H14FN2O7P DB03196 4-Nitrophenyl-Ara small molecule experimental 271.2234 C11H13NO7 DB03197 6-Hydroxymethylpterin small molecule experimental 712-29-8 193.1628 C7H7N5O2 DB03198 Thio-Maltohexaose small molecule experimental 1039.056 C36H62O28S3 DB03199 4-Methoxy-E-Rhodomycin T small molecule experimental 599.6256 C31H37NO11 DB03200 7-Alpha-D-Ribofuranosyl-Purine-5'-Phosphate small molecule experimental 332.2066 C10H13N4O7P DB03201 D-Cysteine small molecule experimental 921-01-7 121.158 C3H7NO2S DB03202 2-[5-Methanesulfonylamino-2-(4-Aminophenyl)-6-Oxo-1,6-Dihydro-1-Pyrimidinyl]-N-(3,3,3-Trifluoro-1-Isopropyl-2-Oxopropyl)Acetamide small molecule experimental 489.469 C19H22F3N5O5S DB03203 Sphingosine small molecule experimental 123-78-4 299.4919 C18H37NO2 DB03204 4-amino-5-aminomethyl-2-methylpyrimidine small molecule experimental 95-02-3 138.1704 C6H10N4 DB03205 Pyrroloquinoline Quinone small molecule experimental 72909-34-3 330.206 C14H6N2O8 DB03207 2-(Biphenyl-4-Sulfonyl)-1,2,3,4-Tetrahydro-Isoquinoline-3-Carboxylic Acid small molecule experimental 393.456 C22H19NO4S DB03208 Beta-1,2,3,4,6-Penta-O-Galloyl-D-Glucopyranose small molecule experimental 940.6772 C41H32O26 DB03210 4-Aminohydrocinnamic Acid small molecule experimental 165.1891 C9H11NO2 DB03211 (3-Formyl-but-3-Enyl)-Phosphonic Acid small molecule experimental 164.0963 C5H9O4P DB03212 4-Deoxyglucarate small molecule experimental 192.1235 C6H8O7 DB03213 Bis(5-Amidino-2-Benzimidazolyl)Methane Ketone small molecule experimental 348.3619 C17H16N8O DB03214 Vinylglycine small molecule experimental 70982-53-5 101.1039 C4H7NO2 DB03215 (2s,5s)-5-Carboxymethylproline small molecule experimental 173.1665 C7H11NO4 DB03216 (1'R,2'S)-9-(2-Hydroxy-3'-Keto-Cyclopenten-1-yl)Adenine small molecule experimental 233.2266 C10H11N5O2 DB03217 DPI59 small molecule experimental 238.1764 C11H11O4P DB03218 N-acetyl-N'-beta-D-glucopyranosyl urea small molecule experimental 264.2325 C9H16N2O7 DB03219 11-Deoxy-Beta-Rhodomycin small molecule experimental 769.8312 C40H51NO14 DB03220 FR-234938 small molecule experimental 256461-79-7 323.3889 C19H21N3O2 DB03221 AL7099A small molecule experimental 403.497 C14H17N3O5S3 DB03222 dATP small molecule experimental 1927-31-7 491.1816 C10H16N5O12P3 DB03223 Diphthamide small molecule experimental 75645-22-6 298.366 C13H24N5O3 DB03224 2-Formyl-Protoporphryn Ix small molecule experimental 620.476 C33H32FeN4O5 DB03225 D-Tryptophan small molecule experimental 153-94-6 204.2252 C11H12N2O2 DB03226 Trifluoroethanol small molecule experimental 75-89-8 100.0398 C2H3F3O DB03227 Nicotinamide Mononucleotide small molecule experimental 335.2271 C11H16N2O8P DB03228 5-[Bis-2(Chloro-Ethyl)-Amino]-2,4-Dintro-Benzamide small molecule experimental 351.143 C11H12Cl2N4O5 DB03229 2-Oxo-4-Methylpentanoic Acid small molecule experimental 130.1418 C6H10O3 DB03230 Adenosine-5'-Propylphosphate small molecule experimental 389.301 C13H20N5O7P DB03231 3-(5-Amino-7-oxo-3,7-dihydro-2H-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-N-(2-{[2-(hydroxymethyl)phenyl]sulfanyl}benzyl)benzamide small molecule experimental 499.544 C25H21N7O3S DB03232 2-[(2e,6e,10e,14e,18e,22e,26e)-3,7,11,15,19,23,27,31-Octamethyldotriaconta-2,6,10,14,18,22,26,30-Octaenyl]Phenol small molecule experimental 639.0474 C46H70O DB03233 3'-deoxy-3'-aminothymidine monophosphate small molecule experimental 42214-32-4 321.2237 C10H16N3O7P DB03234 (4'-{[Allyl(Methyl)Amino]Methyl}-1,1'-Biphenyl-4-Yl)(4-Bromophenyl)Methanone small molecule experimental 420.342 C24H22BrNO DB03235 N-{3-[4-(3-aminopropyl)piperazin-1-yl]propyl}-3-(alpha-D-galactopyranosyloxy)-5-nitrobenzamide small molecule experimental 527.568 C23H37N5O9 DB03236 (2s)-4-(Beta-Alanylamino)-2-Aminobutanoic Acid small molecule experimental 189.2123 C7H15N3O3 DB03237 2,3-Dihydroxy-5-Oxo-Hexanedioate small molecule experimental 190.1076 C6H6O7 DB03238 3,5-Difluoroaniline small molecule experimental 129.1074 C6H5F2N DB03239 3',5'-Dinitro-N-Acetyl-L-Thyronine small molecule experimental 405.3157 C17H15N3O9 DB03240 (S)-2-Amino-3-(1,3,5,7-Pentahydro-2,4-Dioxo-Cyclopenta[E]Pyrimidin-1-Yl) Proionic Acid small molecule experimental 239.2279 C10H13N3O4 DB03241 1-Amino-1-Carbonyl Pentane small molecule experimental 115.1735 C6H13NO DB03242 P-Aminophenyl-Alpha-D-Galactopyranoside small molecule experimental 271.2665 C12H17NO6 DB03243 4-Fluorobenzylamine small molecule experimental 126.1515 C7H9FN DB03244 (S)-2-[4-(Aminomethyl)-1h-1,2,3-Triazol-1-Yl]-4-Methylpentanoic Acid small molecule experimental 212.2489 C9H16N4O2 DB03245 S-4-Nitrobutyryl-CoA small molecule experimental 882.622 C25H41N8O19P3S DB03246 Beta-L-Arabinose small molecule experimental 5328-37-0 150.1299 C5H10O5 DB03248 2-(Phosphonooxy)Butanoic Acid small molecule experimental 184.0844 C4H9O6P DB03249 2'-O-Methyl-3'-Methyl-3'-Deoxy-Arabinofuranosyl-Thymine-5'-Phosphate small molecule experimental 350.2616 C12H19N2O8P DB03250 2-(Beta-D-Glucopyranosyl)-5-Methyl-1,3,4-Benzothiazole small molecule experimental 311.353 C14H17NO5S DB03251 RWJ-51084 small molecule experimental 387.499 C19H25N5O2S DB03252 D-Lysine small molecule experimental 923-27-3 146.1876 C6H14N2O2 DB03253 (2s)-Pyrrolidin-2-Ylmethylamine small molecule experimental 100.1622 C5H12N2 DB03254 4-Phenyl-1h-Imidazole small molecule experimental 144.1732 C9H8N2 DB03255 Phenol small molecule approved 108-95-2 94.1112 C6H6O DB03256 (6R)-Folinic acid small molecule experimental 73951-54-9 473.4393 C20H23N7O7 DB03257 5-[1-(Acetylamino)-3-Methylbutyl]-2,5-Anhydro-3,4-Dideoxy-4-(Methoxycarbonyl)Pentonic Acid small molecule experimental 301.3355 C14H23NO6 DB03258 2'-Deoxycytidine 5'-triphosphate small molecule experimental 2056-98-6 467.1569 C9H16N3O13P3 DB03259 2',6'-Dichloro-Biphenyl-2,6-Diol small molecule experimental 255.097 C12H8Cl2O2 DB03260 Hexamethylene diamine small molecule experimental 124-09-4 116.2046 C6H16N2 DB03262 Al-6619, [2h-Thieno[3,2-E]-1,2-Thiazine-6-Sulfonamide,2-(3-Hydroxyphenyl)-3-(4-Morpholinyl)-, 1,1-Dioxide] small molecule experimental 457.544 C17H19N3O6S3 DB03263 Thiocellobiose small molecule experimental 358.362 C12H22O10S DB03264 Dodecyl-Coa small molecule experimental 949.837 C33H58N7O17P3S DB03266 Glutaral small molecule experimental 111-30-8 100.1158 C5H8O2 DB03267 1-Allyl-3-Butyl-8-(N-Acetyl-4-Aminobenzyl)-Xanthine small molecule experimental 395.4549 C21H25N5O3 DB03268 RU82197 small molecule experimental 555.6209 C32H33N3O6 DB03269 4,6-Dideoxy-4-{[4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino}hexopyranose small molecule experimental 321.3236 C13H23NO8 DB03270 2,6-Difluorobenzenesulfonamide small molecule experimental 193.171 C6H5F2NO2S DB03272 4-Bromo-3-(5'-Carboxy-4'-Chloro-2'-Fluorophenyl)-1-Methyl-5-Trifluoromethyl-Pyrazol small molecule experimental 401.539 C12H6BrClF4N2O2 DB03273 3'-Oxo-Adenosine small molecule experimental 265.2254 C10H11N5O4 DB03274 2',5'-Dideoxyuridine small molecule experimental 35959-50-3 212.2026 C9H12N2O4 DB03275 Cysteinamide small molecule experimental 74401-72-2 120.173 C3H8N2OS DB03276 4-[(10s,14s,18s)-18-(2-Amino-2-Oxoethyl)-14-(1-Naphthylmethyl)-8,17,20-Trioxo-7,16,19-Triazaspiro[5.14]Icos-11-En-10-Yl]Benzylphosphonic Acid small molecule experimental 688.7496 C37H45N4O7P DB03277 alpha-maltotriose small molecule experimental 504.4371 C18H32O16 DB03278 D-Treitol small molecule experimental 122.1198 C4H10O4 DB03279 Dodecyl-Alpha-D-Maltoside small molecule experimental 510.6154 C24H46O11 DB03280 p1-(5'-adenosyl)p5-(5'-thymidyl)pentaphosphate small molecule experimental 891.3541 C20H30N7O23P5 DB03281 2'-Deoxymaltose small molecule experimental 326.2971 C12H22O10 DB03283 beta-L-fucose small molecule experimental 13224-93-6 164.1565 C6H12O5 DB03284 2,6-Anhydro-3-Deoxy-D-Erythro-Hex-2-Enonic Acid small molecule experimental 160.1247 C6H8O5 DB03285 Isoliquiritigenin small molecule experimental 961-29-5 256.2534 C15H12O4 DB03286 C-(1-Azido-Alpha-D-Glucopyranosyl) Formamide small molecule experimental 250.2093 C7H14N4O6 DB03287 4-(2-Amino-Ethoxy)-2-[(3-Hydroxy-2-Methyl-5-Phosphonooxymethyl-Pyridin-4-Ylmethyl)-Amino]-but-3-Enoic Acid small molecule experimental 389.2977 C14H20N3O8P DB03288 5-Chloro-1h-Indole-2-Carboxylic Acid{[Cyclopentyl-(2-Hydroxy-Ethyl)-Carbamoyl]-Methyl}-Amide small molecule experimental 365.854 C18H24ClN3O3 DB03289 Thiarsa Dihydroxy Cysteine small molecule experimental 229.087 C3H8AsNO4S DB03290 L-naphthyl-1-acetamido boronic acid alanine small molecule experimental 361.177 C17H22BN2O6 DB00332 Ipratropium small molecule approved 60205-81-4 332.463 C20H30NO3 DB03291 4-Deoxy-4-Amino-Beta-D-Glucose small molecule experimental 179.1711 C6H13NO5 DB03292 3-Phosphono-D-alanine small molecule experimental 128241-72-5 169.0731 C3H8NO5P DB03293 9-Methyl Uric Acid small molecule experimental 182.1368 C6H6N4O3 DB03294 1-Methyl-3-Oxo-1,3-Dihydro-Benzo[C]Isothiazole-5-Sulfonic Acid Amide small molecule experimental 244.291 C8H8N2O3S2 DB03295 Glutathionylspermidine small molecule experimental 33932-35-3 434.554 C17H34N6O5S DB03296 3'-beta-Sialyl-beta-lactose small molecule experimental 64839-32-3 633.5511 C23H39NO19 DB03297 Benzylsulfonic acid small molecule experimental 100-87-8 172.202 C7H8O3S DB03298 Phenylphosphate small molecule experimental 701-64-4 174.0911 C6H7O4P DB03299 N-Succinyl Phenylglycine small molecule experimental 251.2353 C12H13NO5 DB03300 Pterin Cytosine Dinucleotide small molecule experimental 700.53 C19H26N8O13P2S2 DB03301 2-Allyl-6-Methyl-Phenol small molecule experimental 148.2017 C10H12O DB03302 4,5,6,7-Tetrachloro-3h-Isobenzofuran-1-One small molecule experimental 271.912 C8H2Cl4O2 DB03303 3-deoxy-D-arabino-hexonic acid small molecule experimental 29625-79-4 180.1559 C6H12O6 DB03304 7-Deaza-7-Aminomethyl-Guanine small molecule experimental 179.1793 C7H9N5O DB03305 N(G)-Iminoethylornithine small molecule experimental 36889-13-1 173.2129 C7H15N3O2 DB03306 RU78300 small molecule experimental 232.1272 C8H9O6P DB03307 4-[(6-Amino-4-Pyrimidinyl)Amino]Benzenesulfonamide small molecule experimental 265.292 C10H11N5O2S DB03308 L-Leucyl-Hydroxylamine small molecule experimental 146.1876 C6H14N2O2 DB03309 N-cyclohexyltaurine small molecule experimental 103-47-9 207.29 C8H17NO3S DB03310 Glutathione disulfide small molecule approved 27025-41-8 612.631 C20H32N6O12S2 DB03311 3-(3,5-Dibromo-4-Hydroxy-Benzoyl)-2-Ethyl-Benzofuran-6-Sulfonic Acid [4-(Thiazol-2-Ylsulfamoyl)-Phenyl]-Amide small molecule experimental 741.448 C26H19Br2N3O7S3 DB03313 Cephalosporin C small molecule experimental 61-24-5 415.418 C16H21N3O8S DB03314 5-fluorotryptophan small molecule experimental 16626-02-1 222.2156 C11H11FN2O2 DB03315 Guanosine 3'-monophosphate small molecule experimental 117-68-0 363.2206 C10H14N5O8P DB03316 1,4-Dioxane small molecule experimental 123-91-1 88.1051 C4H8O2 DB03317 Ferroheme C small molecule experimental 26598-29-8 684.65 C34H36FeN4O4S2 DB03318 6-Hydro-1-Methyladenosine-5'-Monophosphate small molecule experimental 361.2478 C11H16N5O7P DB03319 (2S)-2-Ammonio-3-[5-(2-methyl-2-propanyl)-3-oxido-1,2-oxazol-4-yl]propanoate small molecule experimental 227.2371 C10H15N2O4 DB03320 3-Amino-Alanine small molecule experimental 105.1158 C3H9N2O2 DB03321 Des(carbamimidoyl) zanamivir small molecule experimental 130525-62-1 290.2698 C11H18N2O7 DB03322 Dexpropranolol small molecule experimental 5051-22-9 259.3434 C16H21NO2 DB03323 Maltose small molecule experimental 69-79-4 342.2965 C12H22O11 DB03325 Tyrosyladenylate small molecule experimental 509.493 C19H23N7O8S DB03326 Deoxycytidylyl-3',5'-guanosine small molecule experimental 52474-59-6 556.4232 C19H25N8O10P DB03327 {1-[(3-Hydroxy-Methyl-5-Phosphonooxy-Methyl-Pyridin-4-Ylmethyl)-Amino]-Ethyl}-Phosphonic Acid small molecule experimental 356.206 C10H18N2O8P2 DB03328 Dioxo(sulfanyl)molybdenum small molecule experimental 161.01 HMoO2S DB03329 2-Pyridinethiol small molecule experimental 73018-10-7 111.165 C5H5NS DB03330 S-(N-hydroxy-N-iodophenylcarbamoyl)glutathione small molecule experimental 570.356 C17H23IN4O8S DB03331 N-naphthalen-1-ylmethyl-2'-[3,5-dimethoxybenzamido]-2'-deoxy-adenosine small molecule experimental 570.5958 C30H30N6O6 DB03332 5,6-Cyclic-Tetrahydropteridine small molecule experimental 223.1888 C8H9N5O3 DB03333 (4-sulfamoyl-phenyl)-thiocarbamic acid O-(2-thiophen-3-yl-ethyl) ester small molecule experimental 342.457 C13H14N2O3S3 DB03335 (+)-1-bromo-2-propanol small molecule experimental 16088-60-1 138.991 C3H7BrO DB03336 BIA small molecule experimental 439.3851 C20H20F3N3O5 DB03337 1-(2-Amidinophenyl)-3-(Phenoxyphenyl)Urea small molecule experimental 346.3825 C20H18N4O2 DB03338 Heptyl glucoside small molecule experimental 78617-12-6 278.3419 C13H26O6 DB03339 3-Iodo-Benzyl Alcohol small molecule experimental 234.0344 C7H7IO DB03340 3-[(1-Amino-2-Carboxy-Ethyl)-Hydroxy-Phosphinoyl]-2-Methyl-Propionic Acid small molecule experimental 239.1629 C7H14NO6P DB03341 CoA-S-acetyl 5-bromotryptamine small molecule experimental 1046.667 C33H47BrN9O17P3S DB03342 4-(Acetylamino)-3-Guanidinobenzoic Acid small molecule experimental 238.2432 C10H14N4O3 DB03343 Malate Like Intermediate small molecule experimental 132.0716 C4H4O5 DB03344 Inositol-(1,3,4,5,6)-Pentakisphosphate small molecule experimental 580.0554 C6H17O21P5 DB03345 Mercaptoethanol small molecule experimental 60-24-2 78.133 C2H6OS DB03346 3,3',5,5'-tetrachlorobiphenyl-4,4'-diol small molecule experimental 13049-13-3 323.987 C12H6Cl4O2 DB03347 Triethyl phosphate small molecule experimental 78-40-0 182.1547 C6H15O4P DB03349 8-Bromo-Adenosine-5'-Monophosphate small molecule experimental 426.117 C10H13BrN5O7P DB03350 Cobalt hexammine ion small molecule experimental 161.118 CoH18N6 DB03351 Sri-9439 small molecule experimental 331.3745 C18H17N7 DB03352 S-Arsonocysteine small molecule experimental 245.086 C3H8AsNO5S DB03353 2-Iminobiotin small molecule experimental 13395-35-2 243.326 C10H17N3O2S DB03354 2-(Beta-D-Glucopyranosyl)-5-Methyl-1,3,4-Oxadiazole small molecule experimental 246.2173 C9H14N2O6 DB03355 5'-O-(L-Threonylsulfamoyl)adenosine small molecule experimental 447.424 C14H21N7O8S DB03357 (S)-Mandelic acid small molecule experimental 17199-29-0 152.1473 C8H8O3 DB03358 7-Methyl-7,8-dihydroguanosine 5'-(tetrahydrogen triphosphate) small molecule experimental 539.2229 C11H20N5O14P3 DB03359 M-(N,N,N-Trimethylammonio)-2,2,2-Trifluoro-1,1-Dihydroxyethylbenzene small molecule experimental 250.2375 C11H15F3NO2 DB03360 N-Acetylproline small molecule experimental 68-95-1 157.1671 C7H11NO3 DB03361 2-{(9as)-9a-[(1s)-1-Hydroxyethyl]-2,7-Dimethyl-9a,10-Dihydro-5h-Pyrimido[4,5-D][1,3]Thiazolo[3,2-a]Pyrimidin-8-Yl}Ethyl Trihydrogen Diphosphate small molecule experimental 468.359 C14H22N4O8P2S DB03362 N-Dimethyl-Lysine small molecule experimental 174.2407 C8H18N2O2 DB03363 3-Acetylpyridine Adenine Dinucleotide small molecule experimental 662.437 C22H28N6O14P2 DB03364 N-Carbamyl-D-Methionine small molecule experimental 192.236 C6H12N2O3S DB03365 4-[3-Hydroxyanilino]-6,7-Dimethoxyquinazoline small molecule experimental 297.3086 C16H15N3O3 DB03366 Imidazole small molecule experimental 288-32-4 68.0773 C3H4N2 DB03367 PF-00356231 small molecule experimental 766536-21-4 428.503 C25H20N2O3S DB03368 5-Methyl-5-(4-Phenoxy-Phenyl)-Pyrimidine-2,4,6-Trione small molecule experimental 310.3041 C17H14N2O4 DB03369 9-Aminophenanthrene small molecule experimental 947-73-9 193.2438 C14H11N DB03370 FR239087 small molecule experimental 342.22 C15H17Cl2N3O2 DB03371 Modified Ribosylated Glutamyl Ester small molecule experimental 297.2343 C10H16FNO8 DB03372 3-Mercapto-1-(1,3,4,9-Tetrahydro-B-Carbolin-2-Yl)-Propan-1-One small molecule experimental 260.355 C14H16N2OS DB03373 ZK-806711 small molecule experimental 455.5746 C27H31N6O DB03374 3,5-Diiodotyrosine small molecule experimental 300-39-0 432.9816 C9H9I2NO3 DB03376 5'-O-(N-(Alanyl)sulfamoyl)adenosine small molecule experimental 112921-04-7 417.398 C13H19N7O7S DB03379 2-Carboxyethylphosphonic Acid small molecule experimental 154.0584 C3H7O5P DB03380 L-tyrosinamide small molecule experimental 4985-46-0 180.2038 C9H12N2O2 DB03381 Hexadecanal small molecule experimental 629-80-1 240.4247 C16H32O DB03382 S-oxy-L-cysteine small molecule experimental 137.158 C3H7NO3S DB03383 CP-320626 small molecule experimental 186430-23-9 443.898 C23H23ClFN3O3 DB03384 Fica small molecule experimental 238.281 C11H11FN2OS DB03385 4-Methylimidazole small molecule experimental 822-36-6 82.1038 C4H6N2 DB03386 4-Fluorotryptophane small molecule experimental 222.2156 C11H11FN2O2 DB03387 N-Hydroxy-N-Isopropyloxamic Acid small molecule experimental 147.1293 C5H9NO4 DB03388 3-[(2,4-Dichlorobenzoyl)(Isopropyl)Amino]-5-Phenylthiophene-2-Carboxylic Acid small molecule experimental 434.336 C21H17Cl2NO3S DB03389 alpha-D-Xylopyranose small molecule experimental 150.1299 C5H10O5 DB03390 (2R,3R)-2,3-Dihydroxy-4-oxo-4-(propylamino)butanoic acid small molecule experimental 191.1818 C7H13NO5 DB03391 Chromophore (Met-Tyr-Gly) small molecule experimental 349.405 C16H19N3O4S DB03392 (3,4,5-Trihydroxy-6-Hydroxymethyl-Tetrahydro-Pyran-2-Yl)-Phosphoramidic Acid Dimethyl Ester small molecule experimental 287.2042 C8H18NO8P DB03393 Sanglifehrin A small molecule experimental 1090.3902 C60H91N5O13 DB03394 Heptaethylene glycol small molecule experimental 5617-32-3 326.3832 C14H30O8 DB03395 Enalkiren small molecule experimental 113082-98-7 656.8557 C35H56N6O6 DB03396 (2R,3R,4S,5R,6E)-3,4,5-Trihydroxy-N-[(3S,6R)-6-hydroxy-2-oxo-3-azepanyl]-2-methoxy-8,8-dimethyl-6-nonenamide small molecule experimental 388.4559 C18H32N2O7 DB03397 Uridine-Diphosphate-N-Acetylglucosamine small molecule experimental 607.3537 C17H27N3O17P2 DB03399 Ethyl Isocyanide small molecule experimental 56.0864 C3H6N DB03400 3-(P-Tolyl)Propionic Acid small molecule experimental 164.2011 C10H12O2 DB03401 1D-myo-inositol 1,4,5-trisphosphate small molecule experimental 85166-31-0 420.0956 C6H15O15P3 DB03402 1,2-Di-1-(3,7,11,15-Tetramethyl-Hexadecane)-Sn-Glycero-3-Phosphate small molecule experimental 733.1369 C43H89O6P DB03403 Cytidine-5'-Monophosphate small molecule experimental 63-37-6 323.1965 C9H14N3O8P DB03405 N2-[(Benzyloxy)carbonyl]-N-[(3R)-1-{N-[(benzyloxy)carbonyl]-L-leucyl}-4-oxo-3-pyrrolidinyl]-L-leucinamide small molecule experimental 594.6985 C32H42N4O7 DB03406 O1-Methyl-4-Deoxy-4-Thio-Alpha-D-Glucose small molecule experimental 210.248 C7H14O5S DB03407 4-Nitrocatechol small molecule experimental 3316-09-4 155.1082 C6H5NO4 DB03408 gamma-Glutamylcysteine small molecule experimental 636-58-8 250.272 C8H14N2O5S DB03409 L-Octahydroindole-2-carboxylic acid small molecule experimental 80875-98-5 169.2209 C9H15NO2 DB03410 4-hydroxycoumarin small molecule experimental 1076-38-6 162.144 C9H6O3 DB03411 2-Hydroxymethyl-Pyrrolidine-3,4-Diol small molecule experimental 133.1457 C5H11NO3 DB03412 6-hydroxynorleucine small molecule experimental 6033-32-5 147.1723 C6H13NO3 DB03413 Deoxyuridine-5'-Diphosphate small molecule experimental 388.1618 C9H14N2O11P2 DB03414 5-Thio-a/B-D-Mannopyranosylamine small molecule experimental 195.237 C6H13NO4S DB03415 3-thiaoctanoyl-CoA small molecule experimental 911.769 C28H48N7O17P3S2 DB03416 Thiamine(1+) monophosphate small molecule experimental 10023-48-0 344.327 C12H17N4O4PS DB03417 (2S,3R)-2-[[4-(Tert-butylcarbamoyl)piperazine-1-carbonyl]amino]-6-(diaminomethylideneamino)-3-formylhexanoic acid small molecule experimental 427.4985 C18H33N7O5 DB03418 Diacetyldeuteroheme small molecule experimental 648.486 C34H32FeN4O6 DB03419 Uracil small molecule experimental 66-22-8 112.0868 C4H4N2O2 DB03420 2,4-deoxy-4-guanidino-5-N-acetyl-neuraminic acid small molecule experimental 334.3257 C12H22N4O7 DB03421 2-Phenethyl-2,3-Dihydro-Phthalazine-1,4-Dione small molecule experimental 266.2946 C16H14N2O2 DB03422 1,3-Thiazole-4-Carboxylic Acid small molecule experimental 129.137 C4H3NO2S DB03423 S-Adenosyl-L-Homoselenocysteine small molecule experimental 431.31 C14H20N6O5Se DB03425 2s,4r-4-Methylglutamate small molecule experimental 160.1479 C6H10NO4 DB03426 Digalactosyl Diacyl Glycerol (Dgdg) small molecule experimental 949.2989 C51H96O15 DB03427 delta-(L-alpha-Aminoadipoyl)-L-cysteinyl-D-vinylglycine small molecule experimental 347.387 C13H21N3O6S DB03428 SU9516 small molecule experimental 241.2453 C13H11N3O2 DB03429 Tetrastearoyl cardiolipin small molecule experimental 1466.0585 C81H158O17P2 DB03430 (S)-4-hydroxymandelonitrile small molecule experimental 71807-09-5 149.1467 C8H7NO2 DB03432 Beta-Amino Isobutyrate small molecule experimental 102.1118 C4H8NO2 DB03433 {3-[(3-Hydroxy-2-Methyl-5-Phosphonooxymethyl-Pyridin-4-Ylmethyl)-Amino]-2-Methyl-Propyl}-Phosphonic Acid small molecule experimental 386.232 C11H20N2O9P2 DB03434 3-(N-morpholino)propanesulfonic acid small molecule experimental 1132-61-2 209.263 C7H15NO4S DB03435 Uridine-5'-Diphosphate small molecule experimental 58-98-0 404.1612 C9H14N2O12P2 DB03436 Gallichrome small molecule experimental 784.424 C28H44GaN9O13 DB03437 (2R,4S)-2-[(1R)-1-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid small molecule experimental 401.461 C14H19N5O5S2 DB03438 Lysophosphatidylglycerol small molecule experimental 483.5531 C22H44O9P DB03439 4,6-dideoxy-4-amino-alpha-D-glucose small molecule experimental 163.1717 C6H13NO4 DB03440 N-hexadecanoylglycine small molecule experimental 2441-41-0 313.4754 C18H35NO3 DB03441 2-Benzyl-3-Iodopropanoic Acid small molecule experimental 290.0976 C10H11IO2 DB03442 Acid yellow 54 free acid small molecule experimental 68957-71-1 496.471 C18H16N4O9S2 DB03443 bis(5-amidino-benzimidazolyl)methanone zinc small molecule experimental 415.787 C17H18N8OZn DB03444 6-bromoindirubin-3'-oxime small molecule experimental 667463-62-9 356.174 C16H10BrN3O2 DB03445 (3S)-3-(dioxidosulfanyl)-N-[(1E)-3-oxoprop-1-en-1-yl]-4-(1H-1,2,3-triazol-1-yl)-D-valine small molecule experimental 302.307 C10H14N4O5S DB03446 N-Benzyl-3-(alpha-D-galactopyranosyloxy)benzamide small molecule experimental 389.3991 C20H23NO7 DB03447 Uridylyl-2'-5'-phospho-adenosine small molecule experimental 573.4073 C19H24N7O12P DB03448 2'-Deoxyuridine 3'-Monophosphate small molecule experimental 308.1819 C9H13N2O8P DB03449 N-(4-{2-[(3-chlorobenzyl)amino]ethyl}phenyl)thiophene-2-carboximidamide small molecule experimental 369.911 C20H20ClN3S DB03450 Cephalothin Group small molecule experimental 398.454 C16H18N2O6S2 DB03451 Lexacalcitol small molecule experimental 131875-08-6 460.689 C29H48O4 DB03452 3-Trimethylsilylsuccinic Acid small molecule experimental 190.2692 C7H14O4Si DB03453 Methyl (2S)-2-[[2-[(3R)-1-carbamimidoylpiperidin-3-yl]acetyl]amino]-3-[4-(2-phenylethynyl)phenyl]propanoate small molecule experimental 193744-04-6 446.5414 C26H30N4O3 DB03454 3-methyl-benzene-1,2-diol small molecule experimental 488-17-5 124.1372 C7H8O2 DB03455 (1H-indol-3-yl)-(2-mercapto-ethoxyimino)-acetic acid small molecule experimental 266.316 C12H14N2O3S DB03456 N2-[(benzyloxy)carbonyl]-n1-[(3S)-1-cyanopyrrolidin-3-yl]-l-leucinamide small molecule experimental 358.4347 C19H26N4O3 DB03458 N(4)-Adenosyl-N(4)-methyl-2,4-diaminobutanoic acid small molecule experimental 111770-79-7 381.387 C15H23N7O5 DB03459 Sparfosic acid small molecule experimental 51321-79-0 255.1193 C6H10NO8P DB03460 Violaxanthin small molecule experimental 126-29-4 600.884 C40H56O4 DB03461 Nicotinamide adenine dinucleotide phosphate small molecule experimental 53-59-8 743.405 C21H28N7O17P3 DB03462 Thymine small molecule experimental 65-71-4 126.1133 C5H6N2O2 DB03464 Formycin-5'-Monophosphate small molecule experimental 347.2212 C10H14N5O7P DB03466 BMS184394 small molecule experimental 388.4987 C26H28O3 DB03467 Naringenin small molecule experimental 480-41-1 272.2528 C15H12O5 DB03468 1,2,3,4-Tetrahydro-Isoquinoline-7-Sulfonic Acid Amide small molecule experimental 212.269 C9H12N2O2S DB03469 Heme D small molecule experimental 712.484 C34H32FeN4O10 DB03470 Trypanothione small molecule experimental 723.862 C27H49N9O10S2 DB03471 6-phenyl-4(R)-(7-phenyl-heptanoylamino)-hexanoic acid small molecule experimental 395.5344 C25H33NO3 DB03472 Cyclohexyl-Hexyl-Beta-D-Maltoside small molecule experimental 508.5996 C24H44O11 DB03473 N5-Methylglutamine small molecule experimental 160.1711 C6H12N2O3 DB03474 Reactive Red 1 Dye small molecule experimental 612.573 C19H16N8O10S3 DB03475 1-[4-Carboxy-2-(3-Pentylamino)Phenyl]-5,5'-Di(Hydroxymethyl)Pyrrolidin-2-One small molecule experimental 350.4094 C18H26N2O5 DB03476 Trans-6-(2-Phenylcyclopropyl)-Naphthalene-2-Carboxamidine small molecule experimental 286.3703 C20H18N2 DB03477 1-Phenylsulfonamide-3-Trifluoromethyl-5-Parabromophenylpyrazole small molecule experimental 446.242 C16H11BrF3N3O2S DB03478 2'-O-Acetyl Adenosine-5-Diphosphoribose small molecule experimental 601.3524 C17H25N5O15P2 DB03479 8,9,10-trihydroxy-7-hydroxymethyl-3-methyl-6-oxa-1,3-diaza-spiro[4.5]decane-2,4-dione small molecule experimental 262.2167 C9H14N2O7 DB03480 Brequinar Analog small molecule experimental 357.377 C23H16FNO2 DB03481 5,10-Dimethylene Tetrahydromethanopterin small molecule experimental 788.6934 C31H45N6O16P DB03482 8-demethyl-8-dimethylamino-flavin-adenine-dinucleotide small molecule experimental 814.591 C28H36N10O15P2 DB03483 (4S)-5-[[(2S)-1-[[(2S)-1-Amino-3-[4-[difluoro(phosphono)methyl]phenyl]-1-oxopropan-2-yl]amino]-3-[4-[difluoro(phosphono)methyl]phenyl]-1-oxopropan-2-yl]amino]-4-benzamido-5-oxopentanoic acid small molecule experimental 804.5731 C32H34F4N4O12P2 DB03484 sn-glycero-3-phosphoethanolamine small molecule experimental 59734-15-5 215.1415 C5H14NO6P DB03485 alpha-D-Fucopyranose small molecule experimental 6189-71-5 164.1565 C6H12O5 DB03486 Phosphomethylphosphonic acid guanosyl ester small molecule experimental 441.2277 C11H17N5O10P2 DB03487 (S)-Aspartimide small molecule experimental 73537-92-5 114.1026 C4H6N2O2 DB03488 Uridine-5'-diphosphate-2-deoxy-2-fluoro-alpha-D-galactose small molecule experimental 568.2928 C15H23FN2O16P2 DB03489 2-Keto-3-Deoxygluconate small molecule experimental 178.14 C6H10O6 DB03490 3-Pyridin-4-Yl-2,4-Dihydro-Indeno[1,2-.C.]Pyrazole small molecule experimental 233.2679 C15H11N3 DB03491 2'-Deoxyguanosine-5'-Diphosphate small molecule experimental 427.2011 C10H15N5O10P2 DB03492 lambda-bis(2,2'-bipyridine)imidazole osmium (II) small molecule experimental 569.68 C23H19N6Os DB03493 7-Methylguanosine small molecule experimental 298.2752 C11H16N5O5 DB03495 4,6-Dideoxy-4-{[4,5,6-Trihydroxy-3-(Hydroxymethyl)Cyclohex-2-En-1-Yl]Amino}-Alpha-D-Lyxo-Hexopyranosyl-(1->4)-Alpha-D-Threo-Hexopyranosyl-(1->6)-Alpha-L-Threo-Hexopyranose small molecule experimental 645.6048 C25H43NO18 DB03496 Alvocidib small molecule experimental 146426-40-6 401.84 C21H20ClNO5 DB03497 L-serine O-sulfate small molecule experimental 626-69-7 185.156 C3H7NO6S DB03498 Mercaptomethyl Phosphonate small molecule experimental 126.071 CH3O3PS DB03499 D-Malic acid small molecule experimental 636-61-3 134.0874 C4H6O5 DB03500 Tricosanoic acid small molecule experimental 2433-96-7 354.6101 C23H46O2 DB03501 Galactose-uridine-5'-diphosphate small molecule experimental 2956-16-3 566.3018 C15H24N2O17P2 DB03502 (4s)-4-{[(2s)-2-Amino-3-Oxopropyl]Sulfanyl}-L-Homoserinate small molecule experimental 238.261 C7H14N2O5S DB03503 4-Acetyl-4-guanidino-6-methyl(propyl)carboxamide-4,5-dihydro-2H-pyran-2-carboxylic acid small molecule experimental 341.3629 C14H23N5O5 DB03504 9-Butyl-8-(2-Chloro-3,4,5-Trimethoxy-Benzyl)-9h-Purin-6-Ylamine small molecule experimental 405.879 C19H24ClN5O3 DB03505 2,6-diaminoquinazolin-4-ol small molecule experimental 53745-23-6 176.1753 C8H8N4O DB03506 9-Deazaadenine small molecule experimental 2227-98-7 134.1386 C6H6N4 DB03507 6-[3-(4-Morpholinyl)Propyl]-2-(3-Nitrophenyl)-5-Thioxo-5,6,-Dihydro-7h-Thienol[2',3':4,5]Pyrrolo[1,2-C]Imidazol-7-One small molecule experimental 456.538 C21H20N4O4S2 DB03508 Diethylene glycol ethyl methyl ether small molecule experimental 1002-67-1 148.2001 C7H16O3 DB03509 2-(4-Chlorophenyl)-5-Quinoxalinecarboxamide small molecule experimental 283.712 C15H10ClN3O DB03510 6-O-Phosphoryl Inosine Monophosphate small molecule experimental 428.1859 C10H14N4O11P2 DB03511 alpha-D-galacturonic acid small molecule experimental 6294-16-2 194.1394 C6H10O7 DB03512 Uridine-2',3'-vanadate small molecule experimental 343.1411 C9H12N2O9V DB03513 (S)-2-Amino-3-(4h-Selenolo[3,2-B]-Pyrrol-6-Yl)-Propionic Acid small molecule experimental 257.15 C9H10N2O2Se DB03514 4-Vinylguaiacol small molecule experimental 7786-61-0 150.1745 C9H10O2 DB03515 Equilenin small molecule experimental 517-09-9 266.3343 C18H18O2 DB03517 [Methylthio]Acetate small molecule experimental 105.136 C3H5O2S DB03518 Mevalonic acid small molecule experimental 150-97-0 148.1571 C6H12O4 DB03520 6-Chloro-2-fluoropurine small molecule experimental 1651-29-2 172.548 C5H2ClFN4 DB03522 Aspartic Acid-4-Carboxymethyl Ester small molecule experimental 191.1388 C6H9NO6 DB03523 Brequinar small molecule experimental 96187-53-0 375.3675 C23H15F2NO2 DB03524 N-[3-[4-(3-aminopropyl)piperazin-1-yl]propyl]-3-[(2-thiophen-2-ylacetyl)amino]-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzamide small molecule experimental 621.745 C29H43N5O8S DB03525 RU79073 small molecule experimental 229.1696 C9H12NO4P DB03526 AL5927 small molecule experimental 362.445 C12H14N2O5S3 DB03528 9-Beta-D-Xylofuranosyl-Adenine small molecule experimental 267.2413 C10H13N5O4 DB03530 Acylated ceftazidime small molecule experimental 469.492 C17H19N5O7S2 DB03531 Flavin-adenine dinucleotide-N5-isobutyl ketone small molecule experimental 855.6396 C31H39N9O16P2 DB03532 Phosphomethylphosphonic acid guanylate ester small molecule experimental 521.2076 C11H18N5O13P3 DB03533 Acetyleneurea small molecule experimental 496-46-8 142.116 C4H6N4O2 DB03534 3-[(Acetyl-Methyl-Amino)-Methyl]-4-Amino-N-Methyl-N-(1-Methyl-1h-Indol-2-Ylmethyl)-Benzamide small molecule experimental 378.4674 C22H26N4O2 DB03535 Z-Pro-Prolinal small molecule experimental 330.3783 C18H22N2O4 DB03536 Benzyl N-[(2S)-5-(diaminomethylamino)-1-[[(2S)-4-fluoro-3-oxobutan-2-yl]amino]-1-oxopentan-2-yl]carbamate small molecule experimental 397.4444 C18H28FN5O4 DB03537 [4-(4-Hydroxy-Benzyl)-2-(2-Hydroxy-1-Methyl-Ethyl)-5-Oxo-Imidazolidin-1-Yl]-Acetic Acid small molecule experimental 305.286 C14H15N3O5 DB03539 2-(Acetylamino)-2-Deoxy-6-O-Methyl-Alpha-D-Allopyranose small molecule experimental 200.1919 C8H12N2O4 DB03540 Norcamphor small molecule experimental 110.1537 C7H10O DB03541 10-Propargyl-5,8-Dideazafolic Acid small molecule experimental 477.4693 C24H23N5O6 DB03542 L-Myo-Inositol-1-Phosphate small molecule experimental 258.1199 C6H11O9P DB03543 1-(O-Carboxy-Phenylamino)-1-Deoxy-D-Ribulose-5-Phosphate small molecule experimental 351.2464 C12H18NO9P DB03544 S-Phosphocysteine small molecule experimental 201.138 C3H8NO5PS DB03546 N-({4-[(1R)-4-[(2R,4S,5S)-2,4-diamino-6-oxohexahydropyrimidin-5-yl]-1-(2,2,2-trifluoro-1,1-dihydroxyethyl)butyl]phenyl}carbonyl)-L-glutamic acid small molecule experimental 549.4975 C22H30F3N5O8 DB03548 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid small molecule experimental 238.192 C8H14O8 DB03549 Biotinyl P-Nitroaniline small molecule experimental 364.419 C16H20N4O4S DB03550 Isopenicillin N small molecule experimental 58678-43-6 359.398 C14H21N3O6S DB03551 (3R,4R)-3-Hydroxy-4-(hydroxymethyl)-1-[(4-oxo-4,4a,5,7a-tetrahydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]pyrrolidinium small molecule experimental 267.3043 C12H19N4O3 DB03552 3-Tyrosine small molecule experimental 587-33-7 181.1885 C9H11NO3 DB03553 Glutaric Acid small molecule experimental 110-94-1 132.1146 C5H8O4 DB03554 5-Iodouracil small molecule experimental 696-07-1 237.9833 C4H3IN2O2 DB03555 CRA_11092 small molecule experimental 382.4313 C21H23FN4O2 DB03556 2-(2-{2-[2-(2-{2-[2-(2-Ethoxy-Ethoxy)-Ethoxy]-Ethoxy}-Ethoxy)-Ethoxy]-Ethoxy}-Ethoxy)-Ethanol, Polyethyleneglycol Peg400 small molecule experimental 398.4889 C18H38O9 DB03557 4-[[(2S)-1-[[6-[(1-Amino-1-oxo-3-sulfanylpropan-2-yl)amino]-6-oxohexyl]amino]-3-[4-[difluoro(phosphono)methyl]phenyl]-1-oxopropan-2-yl]amino]-3-[[2-[4-[difluoro(phosphono)methyl]phenyl]acetyl]amino]-4-oxobutanoic acid small molecule experimental 873.7 C32H41F4N5O13P2S DB03558 SP-876 small molecule experimental 499.492 C20H25N3O10S DB03559 Cyclohexylformamide small molecule experimental 766-93-8 127.1842 C7H13NO DB03560 P-Hydroxybenzaldehyde small molecule experimental 123-08-0 122.1213 C7H6O2 DB03562 Tetrahydrodeoxyuridine small molecule experimental 230.2179 C9H14N2O5 DB03564 (4r)-2-Methylpentane-2,4-Diol small molecule experimental 118.1742 C6H14O2 DB03565 1-O-Octyl-2-Heptylphosphonyl-Sn-Glycero-3-Phosphoethanolamine small molecule experimental 489.5207 C20H45NO8P2 DB03566 Spermidine small molecule experimental 124-20-9 145.2459 C7H19N3 DB03567 alpha-N-Acetyl-D-galactosamine small molecule experimental 14215-68-0 221.2078 C8H15NO6 DB03568 Butyric Acid small molecule experimental 107-92-6 88.1051 C4H8O2 DB03569 4,5-Dehydro-L-Iduronic Acid small molecule experimental 192.1235 C6H8O7 DB03570 Tris-Hydroxymethyl-Methyl-Ammonium small molecule experimental 122.143 C4H12NO3 DB03571 3-(5-amino-7-hydroxy-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-N-(3,5-dichlorobenzyl)-benzamide small molecule experimental 430.248 C18H13Cl2N7O2 DB03572 FR230513 small molecule experimental 309.3624 C18H19N3O2 DB03573 WRR-99 small molecule experimental 364.436 C19H28N2O5 DB03574 Ferricrocin-iron small molecule experimental 776.601 C28H50FeN9O13 DB03576 N-Pyridoxyl-Threonine-5-Monophosphate small molecule experimental 350.2616 C12H19N2O8P DB03577 Alpha-Benzyl-Aminobenzyl-Phosphonic Acid small molecule experimental 277.2555 C14H16NO3P DB03578 Pyruvamide small molecule experimental 631-66-3 87.0773 C3H5NO2 DB03581 Glucose-6-Phosphate small molecule experimental 56-73-5 260.1358 C6H13O9P DB03582 N~2~-Succinylornithine small molecule experimental 232.2337 C9H16N2O5 DB03583 (2E,3S)-3-hydroxy-5'-[(4-hydroxypiperidin-1-yl)sulfonyl]-3-methyl-1,3-dihydro-2,3'-biindol-2'(1'H)-one small molecule experimental 441.5 C22H23N3O5S DB03584 4-Thio-beta-D-glucopyranose small molecule experimental 196.221 C6H12O5S DB03586 (3R,4R,5S,6R)-6-Fluoro-3,4,5-trihydroxytetrahydro-2H-pyran-2-olate small molecule experimental 167.1124 C5H8FO5 DB03587 Pyruvaldehyde small molecule experimental 78-98-8 72.0627 C3H4O2 DB03588 Diphenylacetic acid small molecule experimental 117-34-0 212.2439 C14H12O2 DB03589 Mesoxalic acid small molecule experimental 473-90-5 118.045 C3H2O5 DB03590 2,6-Diaminopimelic Acid small molecule experimental 190.1971 C7H14N2O4 DB03591 RU82209 small molecule experimental 613.5887 C31H34F2N3O6P DB03592 Pterin-6-Yl-Methyl-Monophosphate small molecule experimental 273.1427 C7H8N5O5P DB03593 7-methyl-5'-guanylic acid small molecule experimental 378.2551 C11H17N5O8P DB03594 1,2,4-Triazole small molecule experimental 63598-71-0 69.0653 C2H3N3 DB03595 CRA_9785 small molecule experimental 336.2686 C15H11F3N4O2 DB03596 N-[2-(1h-Indol-5-Yl)-Butyl]-4-Sulfamoyl-Benzamide small molecule experimental 371.453 C19H21N3O3S DB03597 gamma-Glutamyl[S-(2-iodobenzyl)cysteinyl]glycine small molecule experimental 523.343 C17H22IN3O6S DB03598 Al-6629, [2h-Thieno[3,2-E]-1,2-Thiazine-6-Sulfonamide,2-(3-Methoxyphenyl)-3-(4-Morpholinyl)-, 1,1-Dioxide] small molecule experimental 471.571 C18H21N3O6S3 DB03600 Capric acid small molecule experimental 334-48-5 172.2646 C10H20O2 DB03601 5-deoxyflavanone small molecule experimental 578-86-9 256.2534 C15H12O4 DB03602 S-benzylglutathione small molecule experimental 397.446 C17H23N3O6S DB03603 Glucaric acid small molecule experimental 87-73-0 210.1388 C6H10O8 DB03605 (2s)-2-[(2,4-Dichloro-Benzoyl)-(3-Trifluoromethyl-Benzyl)-Amino]-3-Phenyl-Propionic Acid small molecule experimental 496.306 C24H18Cl2F3NO3 DB03606 (S)-Rolipram small molecule experimental 85416-73-5 275.348 C16H21NO3 DB03607 [(1R)-1-acetamido-2-(4-chlorophenyl)ethyl]-[(2S)-2-amino-3-hydroxy-3-oxo-propoxy]-dihydroxy-boron small molecule experimental 345.564 C13H19BClN2O6 DB03608 Diminazene small molecule experimental 536-71-0 281.3158 C14H15N7 DB03609 3'-deoxyguanosine small molecule experimental 3608-58-0 267.2413 C10H13N5O4 DB03610 4-(trifluoromethyl)phenol small molecule experimental 402-45-9 162.1092 C7H5F3O DB03611 L-2-amino-4-methoxy-cis-but-3-enoic acid small molecule experimental 131.1299 C5H9NO3 DB03612 3-Hydroxybutyryl-Coenzyme A small molecule experimental 853.62 C25H42N7O18P3S DB03613 4-hydroxyphenacyl coenzyme A small molecule experimental 901.666 C29H42N7O18P3S DB03615 Ribostamycin small molecule approved 25546-65-0 454.4727 C17H34N4O10 DB03616 Kabiramide C small molecule experimental 946.1342 C48H75N5O14 DB03617 Modified Acarbose Hexasaccharide small molecule experimental 937.8872 C37H63NO26 DB03618 2-(acetylamino)-2-deoxy-4-O-beta-D-galactopyranosyl-alpha-D-glucopyranose small molecule experimental 383.3484 C14H25NO11 DB03621 L-709,587 small molecule experimental 937.1654 C52H76N2O13 DB03622 5-[4-(2-Hydroxyethyl)-1-piperidinyl]-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione small molecule experimental 331.3663 C17H21N3O4 DB03623 9-(4-Hydroxyphenyl)-2,7-Phenanthroline small molecule experimental 272.3007 C18H12N2O DB03624 7-(Carboxyamino)-8-Amino-Nonanoic Acid small molecule experimental 232.2768 C10H20N2O4 DB03626 5-Methoxy-1,2-Dimethyl-3-(Phenoxymethyl)Indole-4,7-Dione small molecule experimental 311.3319 C18H17NO4 DB03627 Adamantane small molecule experimental 136.234 C10H16 DB03628 ISO24 small molecule experimental 229.1696 C9H12NO4P DB03629 Pyridoxal-5'-Phosphate-N-Oxide small molecule experimental 263.1413 C8H10NO7P DB03630 2-Iodobenzylthio Group small molecule experimental 250.1 C7H7IS DB03631 3-(4-hydroxy-3-imino-6-oxo-cyclohexa-1,4-dienyl)-alanine small molecule experimental 210.1867 C9H10N2O4 DB03632 Argifin small molecule experimental 243975-37-3 675.7 C29H41N9O10 DB03633 Lpc-Ether small molecule experimental 510.7076 C26H57NO6P DB03634 1,3-DI(N-Propyloxy-A-mannopyranosyl)-carbomyl 5-methyazido-benzene small molecule experimental 659.6395 C27H41N5O14 DB03635 Ethanesulfonic acid small molecule experimental 594-45-6 110.132 C2H6O3S DB03636 Glycinamide small molecule experimental 598-41-4 74.0818 C2H6N2O DB03637 Guanidine-3-propanol small molecule experimental 118.1576 C4H12N3O DB03638 Cytidyl-2'-5'-phospho-guanosine small molecule experimental 588.422 C19H25N8O12P DB03639 1-Guanidinium-7-Aminoheptane small molecule experimental 174.2871 C8H22N4 DB03640 Beta-Hydroxyaspartic Acid small molecule experimental 149.1021 C4H7NO5 DB03641 2'-deoxyuridine 5'-alpha,beta-imido-diphosphate small molecule experimental 387.177 C9H15N3O10P2 DB03642 N-[(2S)-4-Methyl-1-oxo-1-{[(4S)-3-oxo-1-(2-pyridinylsulfonyl)-4-azepanyl]amino}-2-pentanyl]-1-benzofuran-2-carboxamide small molecule experimental 526.605 C26H30N4O6S DB03643 CRA_1144 small molecule experimental 252.2713 C14H12N4O DB03644 3-hydroxyanthranilic acid small molecule experimental 548-93-6 153.1354 C7H7NO3 DB03645 Phosphonoacetohydroxamic Acid small molecule experimental 155.0465 C2H6NO5P DB03646 2,3-di-O-phytanyl-sn-glycerol small molecule experimental 653.157 C43H88O3 DB03647 3-[Isopropyl(4-Methylbenzoyl)Amino]-5-Phenylthiophene-2-Carboxylic Acid small molecule experimental 379.472 C22H21NO3S DB03648 (2S,2'S)-2,2'-(1,2-Hydrazinediylbis{methylene[(2S)-1-oxo-2,1-hexanediyl]imino})bis(6-amino-N-phenylhexanamide) small molecule experimental 694.966 C38H62N8O4 DB03649 [{(5-Chloro-2-Pyridinyl)Amino} Methylene]-1,1-Bisphosphonate small molecule experimental 302.546 C6H9ClN2O6P2 DB03650 (3e)-3-[(4-Hydroxyphenyl)Imino]-1h-Indol-2(3h)-One small molecule experimental 238.2414 C14H10N2O2 DB03651 Picric acid small molecule experimental 88-89-1 229.1039 C6H3N3O7 DB03652 beta-D-Galactopyranuronic acid small molecule experimental 18968-14-4 194.1394 C6H10O7 DB03653 5-{[Ethyl(Methyl)Amino]Methyl}-2-Methyl-5,6-Dihydropyrimidin-4-Amine small molecule experimental 180.2501 C9H16N4 DB03654 S,S-Propylthiocysteine small molecule experimental 179.304 C6H13NOS2 DB03656 Tribenuron Methyl small molecule experimental 101200-48-0 395.39 C15H17N5O6S DB03657 1-deoxy-1-methoxycarbamido-beta-D-glucopyranose small molecule experimental 188679-87-0 237.2072 C8H15NO7 DB03658 (2R,4S)-2-[(1R)-1-{[(2R)-2-Amino-2-(4-hydroxyphenyl)acetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid small molecule experimental 367.42 C16H21N3O5S DB03659 Butylamine small molecule experimental 109-73-9 73.1368 C4H11N DB03660 4-Iodo-L-phenylalanine small molecule experimental 24250-85-9 291.0857 C9H10INO2 DB03661 L-cysteic acid small molecule experimental 498-40-8 169.156 C3H7NO5S DB03662 Vitamin B6 Complexed with 2-Amino-Pentanoic Acid small molecule experimental 348.2888 C13H21N2O7P DB03663 1-[(2-Amino-6,9-Dihydro-1h-Purin-6-Yl)Oxy]-3-Methyl-2-Butanol small molecule experimental 235.2425 C10H13N5O2 DB03664 P1-(adenosine-5'-P5-(uridine-5')pentaphosphate small molecule experimental 893.3269 C19H28N7O24P5 DB03666 Zidovudine monophosphate small molecule experimental 29706-85-2 347.2212 C10H14N5O7P DB03667 Acetic Acid Salicyloyl-Amino-Ester small molecule experimental 195.1721 C9H9NO4 DB03668 6-oxouridine 5'-phosphate small molecule experimental 340.1807 C9H13N2O10P DB03669 4-Fluorophenethyl Alcohol small molecule experimental 140.1549 C8H9FO DB03670 2-(Oxalyl-Amino)-4,5,6,7-Tetrahydro-Thieno[2,3-C]Pyridine-3-Carboxylic Acid small molecule experimental 270.262 C10H10N2O5S DB03671 Digoxigenin small molecule experimental 1672-46-4 390.5131 C23H34O5 DB03672 9-N-Phenylmethylamino-Tacrine small molecule experimental 288.3862 C20H20N2 DB03673 beta-2-Thienyl-L-alanine small molecule experimental 22951-96-8 171.217 C7H9NO2S DB03675 2,3-Dihydroxy-Valerianic Acid small molecule experimental 148.1571 C6H12O4 DB03676 Cystein-S-Yl Cacodylate small molecule experimental 241.14 C5H12AsNO3S DB03677 N-Cyclohexyl-N'-Decylurea small molecule experimental 282.4647 C17H34N2O DB03678 (6,7-Difluoro-Quinazolin-4-Yl)-(1-Methyl-2,2-Diphenyl-Ethyl)-Amine small molecule experimental 375.4139 C23H19F2N3 DB03679 2-Hydroxy-Tryptophan small molecule experimental 220.2246 C11H12N2O3 DB03680 Tartronate small molecule experimental 118.045 C3H2O5 DB03682 Dibenzofuran-4,6-Dicarboxylic Acid small molecule experimental 256.2103 C14H8O5 DB03683 2-{[Formyl(Hydroxy)Amino]Methyl}-4-Methylpentanoic Acid small molecule experimental 189.209 C8H15NO4 DB03685 Uridine monophosphate small molecule experimental 58-97-9 324.1813 C9H13N2O9P DB03686 S-(4-nitrobenzyl)glutathione small molecule experimental 6803-19-6 442.444 C17H22N4O8S DB03687 4-(Cytidine 5'-diphospho)-2-C-methyl-D-erythritol small molecule experimental 263016-94-0 521.3075 C14H25N3O14P2 DB03688 Hydracrylic acid small molecule experimental 503-66-2 90.0779 C3H6O3 DB03690 (Z,Z)-4-Hydroxy-N,N,N-Trimethyl-10-Oxo-7-[(1-Oxo-9-Octadecenyl)Oxy]-3,5,9-Trioxa-4-Phosphaheptacos-18-En-1-Aminium-4-Oxide small molecule experimental 787.1214 C44H85NO8P DB03691 WRR-112 small molecule experimental 364.436 C19H28N2O5 DB03692 1-Hexadecanosulfonyl-O-L-Serine small molecule experimental 393.582 C19H39NO5S DB03693 N-(2-Aminoethyl)-5-Chloroisoquinoline-8-Sulfonamide small molecule experimental 285.75 C11H12ClN3O2S DB03694 N-phenylthiourea small molecule experimental 103-85-5 152.217 C7H8N2S DB03696 Lanosterol small molecule experimental 79-63-0 426.7174 C30H50O DB03697 4-Sulfonamide-[1-(4-Aminobutane)]Benzamide small molecule experimental 271.336 C11H17N3O3S DB03698 5-Mercaptoethanol-2-decenoyl-coenzyme A small molecule experimental 994.877 C33H55N7O18P3S2 DB03699 Succinyl-Coenzyme A small molecule experimental 604-98-8 867.607 C25H40N7O19P3S DB03700 D-Threonine small molecule experimental 632-20-2 119.1192 C4H9NO3 DB03702 N-{4-[(Carboxymethyl)carbamoyl]benzoyl}-L-valyl-N-[(3S)-1,1,1-trifluoro-4-methyl-2-oxo-3-pentanyl]-L-prolinamide small molecule experimental 570.558 C26H33F3N4O7 DB03703 Cyclohexanol small molecule experimental 108-93-0 100.1589 C6H12O DB03704 12-Hydroxydodecanoic Acid small molecule experimental 505-95-3 216.3172 C12H24O3 DB03705 6-Methylamino-5-Nitroisocytosine small molecule experimental 185.1408 C5H7N5O3 DB03706 1-Hydroxy-2-S-glutathionyl-3-para-nitrophenoxy-propane small molecule experimental 502.496 C19H26N4O10S DB03707 S-Ethyl-N-Phenyl-Isothiourea small molecule experimental 180.27 C9H12N2S DB03708 Adenosine 5'-phosphosulfate small molecule experimental 485-84-7 427.284 C10H14N5O10PS DB03709 Bicine small molecule experimental 150-25-4 163.1717 C6H13NO4 DB03710 [(1S)-4-(1-Aminobutylideneamino)-1-carboxybutyl]azanium small molecule experimental 202.274 C9H20N3O2 DB03711 6-Hydroxy-6-Methyl-Heptan-3-One small molecule experimental 144.2114 C8H16O2 DB03712 RU85053 small molecule experimental 585.6469 C33H35N3O7 DB03714 4-Carbamoyl-4-{[6-(Difluoro-Phosphono-Methyl)-Naphthalene-2-Carbonyl]-Amino}-Butyric Acid small molecule experimental 430.2966 C17H17F2N2O7P DB03716 5'-Fluoro-5'-Deoxyadenosine small molecule experimental 269.236 C10H12FN5O3 DB03717 3-Hydroxy-4-(3,4,5-trihydroxy-tetrahydro-pyran-2-yloxy)-piperidin-2-one small molecule experimental 284045-95-0 263.2445 C10H17NO7 DB03718 6-aza uridine 5'-monophosphate small molecule experimental 2018-19-1 325.1693 C8H12N3O9P DB03719 N-Ethyl-5'-Carboxamido Adenosine small molecule experimental 308.2932 C12H16N6O4 DB03720 alpha,beta-Dehydroaminobutyric acid small molecule experimental 71018-10-5 101.1039 C4H7NO2 DB03721 N-acetyl-alpha-neuraminic acid small molecule experimental 21646-00-4 309.2699 C11H19NO9 DB03722 3,4-Dihydro-5-Methyl-Isoquinolinone small molecule experimental 161.2004 C10H11NO DB03723 2'-Deoxy-Thymidine-Beta-L-Rhamnose small molecule experimental 548.3296 C16H26N2O15P2 DB03724 (1s,2s)-1-Amino-1-(1,3-Thiazol-2-Yl)Propan-2-Ol small molecule experimental 158.221 C6H10N2OS DB03725 5'-Guanylylmethylenebisphosphonate small molecule experimental 13912-93-1 521.2076 C11H18N5O13P3 DB03726 Purine Riboside-5'-Monophosphate small molecule experimental 332.2066 C10H13N4O7P DB03727 Coproporphyrin I small molecule experimental 654.7089 C36H38N4O8 DB03728 p-Chlorobenzoic acid small molecule experimental 74-11-3 156.566 C7H5ClO2 DB03729 2-Amino-1H-benzimidazol-5-ol small molecule experimental 51276-85-8 149.15 C7H7N3O DB03730 3,9-Dimethyladenine small molecule experimental 164.1878 C7H10N5 DB03731 S-2-(Boronoethyl)-L-Cysteine small molecule experimental 210.036 C5H13BNO5S DB03732 Etheno-Nadp small molecule experimental 663.317 C17H24N5O17P3 DB03733 Ethylene Dichloride small molecule experimental 107-06-2 98.959 C2H4Cl2 DB03734 Xylarohydroxamate small molecule experimental 194.12 C5H8NO7 DB03735 9-(2-Deoxy-Beta-D-Ribofuranosyl)-6-Methylpurine small molecule experimental 250.2539 C11H14N4O3 DB03736 2-Cyclopropylmethylenepropanal small molecule experimental 112.1696 C7H12O DB03737 4-((3r,4s,5r)-4-Amino-3,5-Dihydroxy-Hex-1-Ynyl)-5-Fluoro-3-[1-(3-Methoxy-1h-Pyrrol-2-Yl)-Meth-(Z)-Ylidene]-1,3-Dihydro-Indol-2-One small molecule experimental 385.3889 C20H20FN3O4 DB03738 Pantothenoylaminoethenethiol small molecule experimental 276.353 C11H20N2O4S DB03739 3-Hydroxyimino Quinic Acid small molecule experimental 205.1653 C7H11NO6 DB03740 N-acetyl-alpha-D-glucosamine small molecule experimental 10036-64-3 221.2078 C8H15NO6 DB03741 2-Methylbutanoic Acid small molecule experimental 102.1317 C5H10O2 DB03742 Compound 4-D small molecule experimental 463.588 C27H29NO4S DB03744 Cp403700, (S)-1-{2-[(5-Chloro-1h-Indole-2-Carbonyl)-Amino]-3-Phenyl-Propionyl}-Azetidine-3-Carboxylate small molecule experimental 425.865 C22H20ClN3O4 DB03745 Arabinose-5-phosphate small molecule experimental 232.1257 C5H13O8P DB03746 3-Amino-4,5-Dihydroxy-Cyclohex-1-Enecarboxylate small molecule experimental 172.1586 C7H10NO4 DB03747 N-Acetyl-glucosamine thiazoline small molecule experimental 179030-22-9 219.258 C8H13NO4S DB03748 Methyl-[4-(4-Piperidine-1-Ylmethyl-Phenyl)-Cyclohexyl]-Carbaminic Acid-(4-Chlorophenyl)-Ester small molecule experimental 441.005 C26H33ClN2O2 DB03749 4-(1h-Imidazol-4-Yl)-3-(5-Ethyl-2,4-Dihydroxy-Phenyl)-1h-Pyrazole small molecule experimental 270.2866 C14H14N4O2 DB03750 Isovaleric Acid small molecule experimental 503-74-2 102.1317 C5H10O2 DB03751 2'deoxy-Thymidine-5'-Diphospho-Alpha-D-Glucose small molecule experimental 564.329 C16H26N2O16P2 DB03752 P-(2'-Iodo-5'-Thenoyl)Hydrotropic Acid small molecule experimental 386.205 C14H11IO3S DB03753 Flurbiprofen Methyl Ester small molecule experimental 258.2875 C16H15FO2 DB03755 Adenosine-5'-[Beta, Gamma-Methylene]Tetraphosphate small molecule experimental 585.1881 C11H19N5O15P4 DB03757 N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-alanyl-L-alaninamide small molecule experimental 41036-24-2 259.3021 C11H21N3O4 DB03758 Radicicol small molecule experimental 12772-57-5 364.777 C18H17ClO6 DB03759 FG-9041 small molecule experimental 2379-57-9 252.142 C8H4N4O6 DB03760 Dihydrolipoic Acid small molecule experimental 462-20-4 208.341 C8H16O2S2 DB03761 5-fluoro-2'-deoxyuridine-5'-monophosphate small molecule experimental 134-46-3 326.1723 C9H12FN2O8P DB03763 5-methyl-2'-deoxypseudouridine small molecule experimental 65358-15-8 242.2286 C10H14N2O5 DB03764 4-Hydroperoxy-2-Methoxy-Phenol small molecule experimental 156.136 C7H8O4 DB03765 2'-cytidylic acid small molecule experimental 85-94-9 323.1965 C9H14N3O8P DB03767 Morpholine-4-Carboxylic Acid [1s-(2-Benzyloxy-1r-Cyano-Ethylcarbamoyl)-3-Methyl-Butyl]Amide small molecule experimental 402.4873 C21H30N4O4 DB03768 N-[2-Hydroxy-2-(8-Isopropyl-6,9-Dioxo-2-Oxa-7,10-Diaza-Bicyclo[11.2.2]Heptadeca-1(16),13(17),14-Trien-11-Yl)-Ethyl]-N-(3-Methyl-Butyl)-Benzenesulfonamide,Inhibitor 3 small molecule experimental 573.744 C30H43N3O6S DB03769 D-Eritadenine small molecule experimental 23918-98-1 253.2147 C9H11N5O4 DB03770 N-hydroxyguanidine small molecule experimental 13115-21-4 75.0699 CH5N3O DB03771 Allyl-{4-[3-(4-Bromo-Phenyl)-Benzofuran-6-Yloxy]-but-2-Enyl}-Methyl-Amine small molecule experimental 412.32 C22H22BrNO2 DB03772 2-Hexyloxy-6-Hydroxymethyl-Tetrahydro-Pyran-3,5-Diol small molecule experimental 248.316 C12H24O5 DB03773 alpha-D-quinovopyranose small molecule experimental 7658-08-4 164.1565 C6H12O5 DB03774 Glutamyl Group small molecule experimental 132.1378 C5H10NO3 DB03775 Dethiobiotin small molecule experimental 533-48-2 214.2615 C10H18N2O3 DB03776 Lactaldehyde small molecule experimental 598-35-6 74.0785 C3H6O2 DB03777 Bisindolylmaleimide I small molecule experimental 133052-90-1 412.4837 C25H24N4O2 DB03779 Glucosaminyl-(Alpha-6)-D-Myo-Inositol small molecule experimental 341.3117 C12H23NO10 DB03780 2-Aminoquinazolin-4(3h)-One small molecule experimental 161.1607 C8H7N3O DB03781 2-[4-(2,4-Dichlorophenoxy)Phenoxy]Propanoic Acid small molecule experimental 327.159 C15H12Cl2O4 DB03782 N-(1-adamantyl)-N'-(4-guanidinobenzyl)urea small molecule experimental 341.459 C19H27N5O DB03784 Elaidamide small molecule experimental 4303-70-2 281.4766 C18H35NO DB03785 Mevinolinic acid small molecule experimental 75225-51-3 422.5549 C24H38O6 DB03787 (5-Hydroxy-6-methyl-4-{[(E)-(3-oxo-1,2-oxazolidin-4-ylidene)amino]methyl}-3-pyridinyl)methyl dihydrogen phosphate small molecule experimental 331.2185 C11H14N3O7P DB03788 GC-24 small molecule experimental 376.445 C24H24O4 DB03789 2,3-Dimethylimidazolium Ion small molecule experimental 97.1384 C5H9N2 DB03790 L-methionine sulfone small molecule experimental 7314-32-1 181.21 C5H11NO4S DB03791 GW-3965 small molecule experimental 405911-09-3 582.052 C33H31ClF3NO3 DB03792 5-Aminouracil small molecule experimental 932-52-5 127.1014 C4H5N3O2 DB03794 Trifluoroalanine small molecule experimental 143.0646 C3H4F3NO2 DB03795 2-Dehydropantoate small molecule experimental 146.1412 C6H10O4 DB03797 3-Aminomethyl-Pyridinium-Adenine-Dinucleotide small molecule experimental 649.4416 C21H29N7O13P2 DB03798 2'-Deoxycytidine-5'-Monophosphate small molecule experimental 1032-65-1 307.1971 C9H14N3O7P DB03799 Trifluoromethionine small molecule experimental 203.183 C5H8F3NO2S DB03800 Deoxyuridine monophosphate small molecule experimental 964-26-1 308.1819 C9H13N2O8P DB03801 Lysine Nz-Carboxylic Acid small molecule experimental 190.1971 C7H14N2O4 DB03802 1-[4-(Octahydro-Pyrido[1,2-a]Pyrazin-2-Yl)-Phenyl]-2-Phenyl-1,2,3,4-Tetrahydro-Isoquinolin-6-Ol small molecule experimental 439.5918 C29H33N3O DB03803 N,N-[2,5-O-dibenzyl-glucaryl]-DI-[valinyl-aminomethanyl-pyridine] small molecule experimental 768.8977 C42H52N6O8 DB03804 5-Bromothienyldeoxyuridine small molecule experimental 389.222 C13H13BrN2O5S DB03807 1-(2-Chlorophenyl)-3,5-Dimethyl-1h-Pyrazole-4-Carboxylic Acid Ethyl Ester small molecule experimental 278.734 C14H15ClN2O2 DB03808 Hexamidine small molecule experimental 3811-75-4 354.446 C20H26N4O2 DB03809 9-Butyl-8-(3-Methoxybenzyl)-9h-Purin-6-Amine small molecule experimental 311.3815 C17H21N5O DB03810 3-Methylglutamic acid small molecule experimental 6070-75-3 161.1558 C6H11NO4 DB03811 Histidinol small molecule experimental 142.181 C6H12N3O DB03812 3-{2,6,8-trioxo-9-[(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl]-1,2,3,6,8,9-hexahydro-7H-purin-7-Yl}propyl dihydrogen phosphate small molecule experimental 440.2998 C13H21N4O11P DB03813 2-Decenoyl N-Acetyl Cysteamine small molecule experimental 271.419 C14H25NO2S DB03814 2-(N-morpholino)ethanesulfonic acid small molecule experimental 4432-31-9 195.237 C6H13NO4S DB03815 Fucitol small molecule experimental 13074-06-1 166.1724 C6H14O5 DB03816 Difluoromethionine small molecule experimental 185.192 C5H9F2NO2S DB03817 L-2,4-diaminobutyric acid small molecule experimental 1758-80-1 118.1344 C4H10N2O2 DB03818 N-[Tosyl-D-Prolinyl]Amino-Ethanethiol small molecule experimental 328.45 C14H20N2O3S2 DB03819 Salicylhydroxamic Acid small molecule experimental 89-73-6 153.1354 C7H7NO3 DB03820 (2S,5R,6R)-6-({(6S)-6-[(Ammonioacetyl)amino]-6-carboxylatohexanoyl}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate small molecule experimental 429.468 C17H25N4O7S DB03821 2-Amino-3-Hydroxy-3-Phosphonooxy-Propionic Acid small molecule experimental 201.0719 C3H8NO7P DB03822 Ethyl dihydrogen phosphate small molecule experimental 1623-14-9 126.0483 C2H7O4P DB03823 Epigallocatechin small molecule experimental 970-74-1 306.2675 C15H14O7 DB03824 7-Iodo-1,2,3,4-Tetrahydro-Isoquinoline small molecule experimental 259.0869 C9H10IN DB03825 Rhodamine 6G small molecule experimental 989-38-8 479.02 C28H31ClN2O3 DB03826 5,6-Diaminouracil small molecule experimental 142.116 C4H6N4O2 DB03827 (3s)-3,4-Di-N-Hexanoyloxybutyl-1-Phosphocholine small molecule experimental 451.5344 C21H42NO7P DB03828 RU78299 small molecule experimental 244.1379 C9H9O6P DB03829 Pseudouridine-5'-Monophosphate small molecule experimental 324.1813 C9H13N2O9P DB03830 Phosphorylated Dihydropteroate small molecule experimental 392.2634 C14H13N6O6P DB03831 [(Z)-octadec-9-enyl] (2R)-2,3-bis(oxidanyl)propanoate small molecule experimental 356.5399 C21H40O4 DB03832 3-Carboxy-N,N,N-Trimethyl-2-(Octanoyloxy)Propan-1-Aminium small molecule experimental 288.403 C15H30NO4 DB03833 2-Prolyl-5-Tert-Butyl-[1,3,4]Oxadiazole small molecule experimental 223.2716 C11H17N3O2 DB03834 (3S)-3-(dioxidosulfanyl)-N-[(1Z)-3-oxoprop-1-en-1-yl]-4-(1H-1,2,3-triazol-1-yl)-D-valine small molecule experimental 301.3 C10H13N4O5S DB03835 N-[(5S,7R,8S,9S,10R)-8,9,10-Trihydroxy-7-(hydroxymethyl)-2,4-dioxo-6-oxa-1,3-diazaspiro[4.5]dec-3-yl]acetamide small molecule experimental 305.2414 C10H15N3O8 DB03836 1,3,5-trichlorobenzene small molecule experimental 108-70-3 181.447 C6H3Cl3 DB03837 Morpholine-4-Carboxylic Acid (1-(3-Benzenesulfonyl-1-Phenethylallylcarbamoyl)-3-Methylbutyl)-Amide small molecule experimental 527.675 C28H37N3O5S DB03839 D-Tyrosine small molecule experimental 556-02-5 181.1885 C9H11NO3 DB03840 Tetra(Imidazole)Diaquacopper (Ii) small molecule experimental 367.854 C12H16CuN8O2 DB03841 Niraxostat small molecule experimental 206884-98-2 299.3245 C16H17N3O3 DB03842 2-Chloro-6-Methyl-Aniline small molecule experimental 121.1796 C8H11N DB03844 N-(2,6-Diflouro-Benzyl)-4-Sulfamoyl-Benzamide small molecule experimental 326.318 C14H12F2N2O3S DB03845 P1-(5'-Adenosyl)P5-(5'-(3'azido-3'-Deoxythymidyl))Pentaphosphate small molecule experimental 911.3272 C20H24N10O22P5 DB03846 2'-deoxy-5-(hydroxymethyl)uridine 5'-(dihydrogen phosphate) small molecule experimental 338.2079 C10H15N2O9P DB03847 gamma-carboxy-L-glutamic acid small molecule experimental 53861-57-7 191.1388 C6H9NO6 DB03848 Benzenesulfinic acid small molecule experimental 618-41-7 142.176 C6H6O2S DB03850 Jaspisamide A small molecule experimental 856.998 C44H64N4O13 DB03851 Carbazole Butanoic Acid small molecule experimental 253.2958 C16H15NO2 DB03852 Eucalyptol small molecule experimental 470-82-6 154.2493 C10H18O DB03853 Reactive Red 6 hapten small molecule experimental 1116.01 C35H25N9O22S6 DB03854 Cadaverine small molecule experimental 462-94-2 102.1781 C5H14N2 DB03855 L-Threonohydroxamate 4-Phosphate small molecule experimental 233.1137 C4H12NO8P DB03856 L-Eflornithine small molecule experimental 66640-93-5 182.1685 C6H12F2N2O2 DB03857 1,4-dithio-beta-D-glucopyranose small molecule experimental 212.287 C6H12O4S2 DB03858 S-Acetonylcysteine small molecule experimental 177.221 C6H11NO3S DB03859 1-thio-beta-D-glucopyranose small molecule experimental 7534-35-2 196.221 C6H12O5S DB03860 ICI-164384 small molecule experimental 98007-99-9 525.8054 C34H55NO3 DB03861 (2R,3R,4S,5R)-2-acetamido-3,4-dihydroxy-5-hydroxymethyl-piperidine small molecule experimental 176246-06-3 204.2236 C8H16N2O4 DB03862 Tetrahydrooxazine small molecule experimental 149.1451 C5H11NO4 DB03863 2-O-Methyl-beta-L-fucopyranose small molecule experimental 108266-96-2 178.1831 C7H14O5 DB03864 Monothioglycerol small molecule experimental 108.159 C3H8O2S DB03865 6-Chloro-2-(2-Hydroxy-Biphenyl-3-Yl)-1h-Indole-5-Carboxamidine small molecule experimental 362.832 C21H17ClN3O DB03866 Prostaglandin G2 small molecule experimental 368.4645 C20H32O6 DB03867 3-nitro-L-tyrosine small molecule experimental 621-44-3 226.1861 C9H10N2O5 DB03868 3-Dehydroquinic Acid small molecule experimental 190.1507 C7H10O6 DB03869 5'-O-(L-Serylsulfamoyl)adenosine small molecule experimental 433.397 C13H19N7O8S DB03870 Ara-Alpha(1,3)-Xyl small molecule experimental 282.2445 C10H18O9 DB03871 lambda-bis(2,2'-bipyridine)imidazole ruthenium (II) small molecule experimental 480.51 C23H19N6Ru DB03872 2,3-Dideoxyfucose small molecule experimental 132.1577 C6H12O3 DB03874 (4e,8e,12z,16z)-N,N,4,8,13,17,21-Heptamethyldocosa-4,8,12,16,20-Pentaen-1-Amine small molecule experimental 413.7219 C29H51N DB03876 Thieno[2,3-B]Pyridine-2-Carboxamidine small molecule experimental 178.234 C8H8N3S DB03877 AL-4623 small molecule experimental 138890-59-2 369.481 C11H19N3O5S3 DB03878 N-[4-Methyl-3-[[4-(3-Pyridinyl)-2-Pyrimidinyl]Amino]Phenyl]-3-Pyridinecarboxamide small molecule experimental 382.4179 C22H18N6O DB03879 alpha-L-methyl-fucose small molecule experimental 14687-15-1 178.1831 C7H14O5 DB03880 Batimastat small molecule experimental 130370-60-4 477.64 C23H31N3O4S2 DB03881 (2S,3R,4S,5S)-3,4-Dihydroxy-2-[(methylsulfanyl)methyl]-5-(4-oxo-4,5-dihydro-1H-pyrrolo[3,2-d]pyrimidin-7-yl)pyrrolidinium small molecule experimental 297.353 C12H17N4O3S DB03882 5-Alpha-Androstane-3-Beta,17beta-Diol small molecule experimental 571-20-0 292.4562 C19H32O2 DB03883 Carboxyethyllumazine small molecule experimental 29161-67-9 386.3141 C14H18N4O9 DB03884 Phenylpyruvic acid small molecule experimental 156-06-9 164.158 C9H8O3 DB03885 L-gamma-glutamyl-S-(naphthalen-1-ylmethyl)-L-cysteinylglycine small molecule experimental 447.505 C21H25N3O6S DB03886 Biopterin small molecule experimental 237.2153 C9H11N5O3 DB03887 Alpha-Adenosine Monophosphate small molecule experimental 347.2212 C10H14N5O7P DB03888 N-Allyl-6-{[3-(4-bromophenyl)-1-methyl-1H-indazol-6-yl]oxy}-N-methyl-1-hexanamine small molecule experimental 456.419 C24H30BrN3O DB03889 S-(N-hydroxy-N-bromophenylcarbamoyl)glutathione small molecule experimental 523.356 C17H23BrN4O8S DB03890 N-[2-(1-Formyl-2-Methyl-Propyl)-1-(4-Piperidin-1-Yl-but-2-Enoyl)-Pyrrolidin-3-Yl]-Methanesulfonamide small molecule experimental 399.548 C19H33N3O4S DB03891 Dibenzyl (carbonylbis{2,1-hydrazinediyl[(2S)-4-methyl-1-oxo-1,2-pentanediyl]})biscarbamate small molecule experimental 584.6639 C29H40N6O7 DB03892 5-N-Allyl-arginine small molecule experimental 215.2728 C9H19N4O2 DB03893 Thionicotinamide-Adenine-Dinucleotide small molecule experimental 679.491 C21H27N7O13P2S DB03894 N-Propargyl-1(S)-Aminoindan small molecule experimental 171.2383 C12H13N DB03895 Malachite Green small molecule experimental 10309-95-2 329.458 C23H25N2 DB03896 Triphosphoric acid small molecule experimental 10380-08-2 257.955 H5O10P3 DB03897 Phloretic acid small molecule experimental 501-97-3 166.1739 C9H10O3 DB03898 3-Chloro-4-Hydroxyphenylglycine small molecule experimental 201.607 C8H8ClNO3 DB03899 9-Butyl-8-(4-Methoxybenzyl)-9h-Purin-6-Amine small molecule experimental 311.3815 C17H21N5O DB03900 tert-butanol small molecule experimental 75-65-0 74.1216 C4H10O DB03901 5-Oxoprolinal small molecule experimental 96914-00-0 113.1146 C5H7NO2 DB03902 Oxalic Acid small molecule experimental 144-62-7 90.0349 C2H2O4 DB03903 Tmr small molecule experimental 483.5152 C28H25N3O5 DB03905 Succinamide-CoA small molecule experimental 850.5565 C25H41N8O19P3 DB03906 2-Phenylheme small molecule experimental 692.583 C40H36FeN4O4 DB03907 N-[(E)-3-[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitrobenzamide small molecule experimental 473.3963 C19H19N7O8 DB03908 N,N-[2,5-O-[Dibenzyl]-glucaryl]-DI-[isoleucyl-amido-methane] small molecule experimental 642.7828 C34H50N4O8 DB03909 Adenosine-5'-[Beta, Gamma-Methylene]Triphosphate small molecule experimental 505.2082 C11H18N5O12P3 DB03910 S,S'-(1,3-Phenylene-Bis(1,2-Ethanediyl))Bis-Isothiourea small molecule experimental 282.428 C12H18N4S2 DB03911 L-Xylopyranose small molecule experimental 150.1299 C5H10O5 DB03912 D-pantetheine 4'-phosphate small molecule experimental 2226-71-3 358.348 C11H23N2O7PS DB03913 Coenzyme F420 small molecule experimental 64885-97-8 773.5926 C29H36N5O18P DB03914 [2-(1-amino-2-hydroxy-propyl)-4-(1H-indol-3-ylmethylene)-5-oxo-4,5-dihydro-imidazol-1-yl]-acetaldehyde small molecule experimental 342.3492 C17H18N4O4 DB03915 2-Amino-3-Ketobutyric Acid small molecule experimental 117.1033 C4H7NO3 DB03916 4-{2-[4-(2-Aminoethyl)Piperazin-1-Yl]Pyridin-4-Yl}-N-(3-Chloro-4-Methylphenyl)Pyrimidin-2-Amine small molecule experimental 423.942 C22H26ClN7 DB03917 N-Ethylretinamide small molecule experimental 33631-41-3 327.5035 C22H33NO DB03918 6S-5,6,7,8-Tetrahydrobiopterin small molecule experimental 241.2471 C9H15N5O3 DB03919 Ethyl-Carbamic Acid Methyl Ester small molecule experimental 103.1198 C4H9NO2 DB03920 N-Methyl-Alpha-Beta-Dehydroalanine small molecule experimental 101.1039 C4H7NO2 DB03921 4-(3-Pyridin-2-Yl-1h-Pyrazol-4-Yl)Quinoline small molecule experimental 272.304 C17H12N4 DB03923 Feruloyl Coenzyme A small molecule experimental 959.702 C31H44N7O20P3S DB03924 5,8-Di-Amino-1,4-Dihydroxy-Anthraquinone small molecule experimental 270.2402 C14H10N2O4 DB03925 Freselestat small molecule experimental 208848-19-5 454.5221 C23H30N6O4 DB03926 5alpha-androstane-3beta,17alpha-diol small molecule experimental 5856-11-1 292.4562 C19H32O2 DB03927 Glycyl-L-alpha-amino-epsilon-pimelyl-D-alanine small molecule experimental 303.3116 C12H21N3O6 DB03928 Carboxymethylthio-3-(3-Chlorophenyl)-1,2,4-Oxadiazol small molecule experimental 270.692 C10H7ClN2O3S DB03929 D-Serine small molecule approved 312-84-5 105.0926 C3H7NO3 DB03930 4-Methyl-Pyrroline-5-Carboxylic Acid small molecule experimental 127.1412 C6H9NO2 DB03931 Diguanosine-5'-Triphosphate small molecule experimental 788.4059 C20H27N10O18P3 DB03932 LFA703 small molecule experimental 603.7881 C37H49NO6 DB03933 C-1027 Aromatized chromophore small molecule experimental 847.283 C43H45ClN3O13 DB03934 Protoporphyrin Ix Containing Zn small molecule experimental 626.03 C34H32N4O4Zn DB03935 1,4-Dideoxy-O2-Sulfo-Glucuronic Acid small molecule experimental 274.203 C6H10O10S DB03936 1-Deoxy-Ribofuranose-5'-Phosphate small molecule experimental 214.1104 C5H11O7P DB03937 D-erythrose 4-phosphate small molecule experimental 585-18-2 200.0838 C4H9O7P DB03938 Deacetoxycephalosporin C small molecule experimental 26924-74-3 357.382 C14H19N3O6S DB03939 (4S)-4-hydroxy-3,4-dihydro-2(1H)-pyrimidinone small molecule experimental 114.1026 C4H6N2O2 DB03940 Oxamic Acid small molecule experimental 471-47-6 89.0501 C2H3NO3 DB03941 p-Heptylphenol small molecule experimental 1987-50-4 192.2973 C13H20O DB03942 Carboxylic PRPP small molecule experimental 388.0968 C6H15O13P3 DB03943 D-Asparagine small molecule experimental 2058-58-4 132.1179 C4H8N2O3 DB03944 5-[1-(3,4-Dimethoxy-Benzoyl)-1,2,3,4-Tetrahydro-Quinolin-6-Yl]-6-Methyl-3,6-Dihydro-[1,3,4]Thiadiazin-2-One small molecule experimental 425.501 C22H23N3O4S DB03945 N,N,N-Trimethyl-2-(phosphonooxy)ethanaminium small molecule experimental 3616-04-4 184.1507 C5H15NO4P DB03946 3,4-Dihydroxybenzoic Acid small molecule experimental 99-50-3 154.1201 C7H6O4 DB03947 D-Xylulose small molecule experimental 551-84-8 150.1299 C5H10O5 DB03948 6-Chloropurine Riboside, 5'-Monophosphate small molecule experimental 367.66 C10H13ClN4O7P DB03949 N-[(2S)-3-Phenyl-2-sulfanylpropanoyl]-L-phenylalanyl-L-tyrosine small molecule experimental 492.587 C27H28N2O5S DB03950 (S)-N-(3-Indol-1-Yl-2-Methyl-Propyl)-4-Sulfamoyl-Benzamide small molecule experimental 371.453 C19H21N3O3S DB03951 N-acetyl-D-glucosamine-6-phosphate small molecule experimental 301.1877 C8H16NO9P DB03952 9-(6-deoxy-beta-D-allofuranosyl)-6-methylpurine small molecule experimental 280.2798 C12H16N4O4 DB03953 Thiocitrulline small molecule experimental 156719-37-8 191.251 C6H13N3O2S DB03955 1-deoxymannojirimycin small molecule experimental 84444-90-6 163.1717 C6H13NO4 DB03956 Inositol 2,4,5-trisphosphate small molecule experimental 91840-07-2 420.0956 C6H15O15P3 DB03957 SP2456 small molecule experimental 534.481 C25H33Cl2N7O2 DB03958 7-methyl-guanosine-5'-triphosphate-5'-guanosine small molecule experimental 803.4404 C21H30N10O18P3 DB03959 N,O6-Disulfo-Glucosamine small molecule experimental 339.298 C6H13NO11S2 DB03960 Cp-Coeleneterazine small molecule experimental 449.499 C25H27N3O5 DB03961 2c-Methyl-D-Erythritol 2,4-Cyclodiphosphate small molecule experimental 278.0909 C5H12O9P2 DB03962 Nicotinamide 8-bromo-adenine dinucleotide phosphate small molecule experimental 822.301 C21H27BrN7O17P3 DB03963 S-(Dimethylarsenic)Cysteine small molecule experimental 225.141 C5H12AsNO2S DB03964 4-Hydroxy-Aconitate Ion small molecule experimental 187.0838 C6H3O7 DB03966 Clorobiocin small molecule experimental 39868-96-7 697.128 C35H37ClN2O11 DB03967 Dodecyl sulfate small molecule experimental 151-41-7 266.397 C12H26O4S DB03968 1-Methyl-2-Oxy-5,5-Dimethyl Pyrrolidine small molecule experimental 127.1842 C7H13NO DB03970 (7R)-7-(6,7-Dihydro-5H-cyclopenta[d]imidazo[2,1-b][1,3]thiazol-2-yl)-2,7-dihydro-1,4-thiazepine-3,6-dicarboxylic acid small molecule experimental 363.411 C15H13N3O4S2 DB03971 Acarbose Derived Hexasaccharide small molecule experimental 969.886 C37H63NO28 DB03972 2-Amino-4h-1,3-Benzoxathiin-4-Ol small molecule experimental 183.228 C8H9NO2S DB03973 3-[2,6,8-Trioxo-9-[(2R,3R,4R)-2,3,4,5-tetrahydroxypentyl]-3H-purin-7-yl]propyl dihydrogen phosphate small molecule experimental 440.2998 C13H21N4O11P DB03974 L-homoarginine small molecule experimental 156-86-5 188.2275 C7H16N4O2 DB03975 Mercuribenzoic Acid small molecule experimental 321.7 C7H5HgO2 DB03976 Phosphorylisopropane small molecule experimental 140.0749 C3H9O4P DB03977 Trimethyllysine small molecule experimental 19253-88-4 189.2752 C9H21N2O2 DB03978 Tyrosinal small molecule experimental 165.1891 C9H11NO2 DB03979 1-[Glycerolylphosphonyl]-2-[8-(2-Hexyl-Cyclopropyl)-Octanal-1-Yl]-3-[Hexadecanal-1-Yl]-Glycerol small molecule experimental 734.9806 C39H75O10P DB03980 4-(Fluorophenyl)-1-Cyclopropylmethyl-5-(2-Amino-4-Pyrimidinyl)Imidazole small molecule experimental 309.3408 C17H16FN5 DB03981 1,4-Dideoxy-5-Dehydro-O2-Sulfo-Glucuronic Acid small molecule experimental 256.187 C6H8O9S DB03982 Compound 5, 2-(Naphthalen-1-Yl-Oxalyl-Amino)-Benzoicacid small molecule experimental 335.3102 C19H13NO5 DB03983 {[2-Amino-4-oxo-6,7-di(sulfanyl-ฆสS)-3,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methyl dihydrogenato(2-) phosphate}(dioxo)sulfanylmolybdenum small molecule experimental 554.35 C10H13MoN5O8PS3 DB03984 Morpholine-4-Carboxylic Acid [1-(2-Benzylsulfanyl-1-Formyl-Ethylcarbamoyl)-2-Phenyl-Ethyl]-Amide small molecule experimental 455.57 C24H29N3O4S DB03985 R-azabisabolene small molecule experimental 208.3629 C14H26N DB03986 6-methyl-formycin A small molecule experimental 282.2758 C11H16N5O4 DB03987 2,4-Diamino-6-[N-(3',5'-Dimethoxybenzyl)-N-Methylamino]Pyrido[2,3-D]Pyrimidine small molecule experimental 340.3797 C17H20N6O2 DB03988 2,6-Diamino-Hexanoic Acid Amide small molecule experimental 146.2107 C6H16N3O DB03989 D-Allopyranose small molecule experimental 2595-97-3 180.1559 C6H12O6 DB03990 4'-nitrophenyl-3i-thiolaminaritrioside small molecule experimental 641.596 C24H35NO17S DB03991 2-deoxy-2,3-dehydro-N-acetylneuraminic acid small molecule experimental 24967-27-9 291.2546 C11H17NO8 DB03992 3-(Benzoylamino)-L-Alanine small molecule experimental 208.2139 C10H12N2O3 DB03993 Isocaproic acid small molecule experimental 646-07-1 116.1583 C6H12O2 DB03994 Ethanolamine small molecule experimental 141-43-5 61.0831 C2H7NO DB03995 Betadex small molecule experimental 7585-39-9 1134.9842 C42H70O35 DB03996 3-[(5s)-1-Acetyl-3-(2-Chlorophenyl)-4,5-Dihydro-1h-Pyrazol-5-Yl]Phenol small molecule experimental 314.766 C17H15ClN2O2 DB03997 L-histidinol phosphate small molecule experimental 25679-93-0 221.1509 C6H12N3O4P DB03998 [2-(Methyleneamine)-4-(4-Hydroxy-Benzylidine)-5-Oxo-4,5-Dihydro-Imidazol-1-Yl]-Acetaldehyde small molecule experimental 275.26 C13H13N3O4 DB03999 Butylphosphonate small molecule experimental 138.1021 C4H11O3P DB04000 Bromo-Willardiine small molecule experimental 278.06 C7H8BrN3O4 DB04001 6-(Oxalyl-Amino)-1h-Indole-5-Carboxylic Acid small molecule experimental 248.1916 C11H8N2O5 DB04002 4-Sulfonamide-[4-(Thiomethylaminobutane)]Benzamide small molecule experimental 317.428 C12H19N3O3S2 DB04003 {4-[(2S)-2-Acetamido-3-({(1S)-1-[3-carbamoyl-4-(cyclohexylmethoxy)phenyl]ethyl}amino)-3-oxopropyl]-2-phosphonophenoxy}acetic acid small molecule experimental 619.5999 C29H38N3O10P DB04004 2,6-Diamino-8-(2-Dimethylaminoethylsulfanylmethyl)-3h-Quinazolin-4-One small molecule experimental 293.388 C13H19N5OS DB04005 Uridine 5'-triphosphate small molecule experimental 63-39-8 484.1411 C9H15N2O15P3 DB04006 [2-Amino-6-(2,6-Difluoro-Benzoyl)-Imidazo[1,2-a]Pyridin-3-Yl]-Phenyl-Methanone small molecule experimental 377.3436 C21H13F2N3O2 DB04007 Bromo-WR99210 small molecule experimental 370.245 C14H20BrN5O2 DB04008 Zinc;[amino-[2-[[5-[amino(azaniumylidene)methyl]benzimidazol-1-id-2-yl]methyl]benzimidazol-1-id-5-yl]methylidene]azanium small molecule experimental 397.772 C17H16N8Zn DB04009 Dimethyl Propionate Ester Heme small molecule experimental 644.54 C36H36FeN4O4 DB04010 2-(3'-Methoxyphenyl) Benzimidazole-4-Carboxamide small molecule experimental 267.2826 C15H13N3O2 DB04011 2'-(4-Dimethylaminophenyl)-5-(4-Methyl-1-Piperazinyl)-2,5'-Bi-Benzimidazole small molecule experimental 451.5661 C27H29N7 DB04012 (3r)-4-(P-Toluenesulfonyl)-1,4-Thiazane-3-Carboxylicacid-L-Leucine small molecule experimental 414.539 C18H26N2O5S2 DB04013 1-Deoxy-1-methoxycarbamido-beta-D-gluco-2-heptulopyranosonamide small molecule experimental 280.2319 C9H16N2O8 DB04014 Alsterpaullone small molecule experimental 293.2768 C16H11N3O3 DB04015 Methionine Phosphinate small molecule experimental 169.182 C4H12NO2PS DB04016 2-[3-({Methyl[1-(2-Naphthoyl)Piperidin-4-Yl]Amino}Carbonyl)-2-Naphthyl]-1-(1-Naphthyl)-2-Oxoethylphosphonic Acid small molecule experimental 670.6895 C40H35N2O6P DB04017 Clorgiline small molecule experimental 17780-72-2 272.17 C13H15Cl2NO DB04018 S-Isopropyl-Isothiourea small molecule experimental 118.201 C4H10N2S DB04020 4-(2-{[4-{[3-(4-Chlorophenyl)Propyl]Sulfanyl}-6-(1-Piperazinyl)-1,3,5-Triazin-2-Yl]Amino}Ethyl)Phenol small molecule experimental 485.045 C24H29ClN6OS DB04021 MF268 small molecule experimental 270.4109 C15H30N2O2 DB04022 Guanosine tetraphosphate small molecule experimental 33503-72-9 603.1603 C10H17N5O17P4 DB04023 GDP-alpha-D-mannuronic acid small molecule experimental 619.3246 C16H23N5O17P2 DB04024 Serine-3'-aminoadenosine small molecule experimental 353.3339 C13H19N7O5 DB04026 Pseudotropine small molecule experimental 135-97-7 141.2108 C8H15NO DB04027 D-arginine small molecule experimental 157-06-2 174.201 C6H14N4O2 DB04028 Tyvelose small molecule experimental 5658-12-8 148.1571 C6H12O4 DB04029 Phenylalanylamide small molecule experimental 5241-58-7 164.2044 C9H12N2O DB04030 1,3,4,9-Tetrahydro-2-(Hydroxybenzoyl)-9-[(4-Hydroxyphenyl)Methyl]-6-Methoxy-2h-Pyrido[3,4-B]Indole small molecule experimental 398.4538 C25H22N2O3 DB04031 Serine vanadate small molecule experimental 220.0317 C3H7NO7V DB04032 Adamantane-1-Carboxylic Acid-5-Dimethylamino-Naphthalene-1-Sulfonylamino-Butyl-Amide small molecule experimental 483.666 C27H37N3O3S DB04033 Z-Ala Prolinal small molecule experimental 320.3404 C16H20N2O5 DB04034 Ribulose-5-Phosphate small molecule experimental 230.1098 C5H11O8P DB04035 Ceftazidime BATSI small molecule experimental 330.125 C10H15BN4O6S DB04036 Coenzyme A persulfide small molecule experimental 81918-99-2 799.599 C21H36N7O16P3S2 DB04037 N,N-Bis(4-Chlorobenzyl)-1h-1,2,3,4-Tetraazol-5-Amine small molecule experimental 334.203 C15H13Cl2N5 DB04038 Ergosterol small molecule approved 57-87-4 396.659 C28H44O DB04039 3-Oxo-Pentadecanoic Acid small molecule experimental 256.381 C15H28O3 DB04040 N-[1,3-Di(4-morpholinyl)-2-propanyl]-3-(ฆม-D-galactopyranosyloxy)-5-nitrobenzamide small molecule experimental 556.5628 C24H36N4O11 DB04041 Nitrocefin Acyl-Serine small molecule experimental 619.58 C24H21N5O11S2 DB04042 2-[4-(Hydroxy-Methoxy-Methyl)-Benzyl]-7-(4-Hydroxymethyl-Benzyl)-1,1-Dioxo-3,6-Bis-Phenoxymethyl-1lambda6-[1,2,7]Thiadiazepane-4,5-Diol small molecule experimental 664.765 C35H40N2O9S DB04043 Carboxymycobactin T small molecule experimental 787.635 C35H49FeN5O12 DB04044 4-{2-[(3-Nitrobenzoyl)Amino]Phenoxy}Phthalic Acid small molecule experimental 422.3445 C21H14N2O8 DB04045 (R)-methylmalonyl-CoA small molecule experimental 867.607 C25H40N7O19P3S DB04046 Methyl beta-galactoside small molecule experimental 194.1825 C7H14O6 DB04047 6-hydroxymethylpterin diphosphate small molecule experimental 6863-06-5 353.1226 C7H9N5O8P2 DB04048 N-Carbamoyl-Alanine small molecule experimental 132.1179 C4H8N2O3 DB04049 Coelenteramide small molecule experimental 411.4525 C25H21N3O3 DB04050 N-Propyl Isocyanide small molecule experimental 69.1051 C4H7N DB04051 5-phenylpentanoic acid small molecule experimental 2270-20-4 178.2277 C11H14O2 DB04052 3,4-Xylenol small molecule experimental 95-65-8 122.1644 C8H10O DB04053 Hypophosphite small molecule experimental 15460-68-1 62.9726 O2P DB04054 9-Butyl-8-(2,5-Dimethoxy-Benzyl)-2-Fluoro-9h-Purin-6-Ylamine small molecule experimental 359.398 C18H22FN5O2 DB04055 2,3-Dicarboxy-4-(2-Chloro-Phenyl)-1-Ethyl-5-Isopropoxycarbonyl-6-Methyl-Pyridinium small molecule experimental 406.837 C20H21ClNO6 DB04057 N-[4-([(2-Amino-4-oxo-1,4-dihydropyrido[3,2-d]pyrimidin-6-yl)methyl]{(2E)-3-[4-carbamoyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazol-5-yl]-2-propenoyl}amino)benzoyl]-L-glutamic acid small molecule experimental 815.6374 C32H34N9O15P DB04058 N-Carbamoylphenylalanine small molecule experimental 949-45-1 208.2139 C10H12N2O3 DB04059 8-(Pyrimidin-2-Ylamino)Naphthalene-2-Carboximidamide small molecule experimental 263.2972 C15H13N5 DB04060 (5-methyl-6-oxo-1,6-dihydro-pyridin-3-yl)-1,2-dideoxy-ribofuranose-5-monophosphate small molecule experimental 305.221 C11H16NO7P DB04061 Alpha-Amino-2-Indanacetic Acid small molecule experimental 191.2264 C11H13NO2 DB04062 beta-D-fucose small molecule experimental 28161-52-6 164.1565 C6H12O5 DB04063 alpha-Methylleucine small molecule experimental 105743-53-1 145.1995 C7H15NO2 DB04064 Nogalaviketone small molecule experimental 378.3317 C21H14O7 DB04065 N-Cyclopentyl-N-Cyclobutylformamide small molecule experimental 167.2481 C10H17NO DB04066 p-Coumaric acid small molecule experimental 501-98-4 164.158 C9H8O3 DB04067 4-hydroxybenzyl coenzyme A small molecule experimental 873.656 C28H42N7O17P3S DB04068 2',3'-dideoxy-3'-fluoro-urididine-5'-diphosphate small molecule experimental 390.1528 C9H13FN2O10P2 DB04069 5,6-Dihydro-Benzo[H]Cinnolin-3-Ylamine small molecule experimental 197.2358 C12H11N3 DB04070 6-Deoxyerythronolide B small molecule experimental 386.5228 C21H38O6 DB04071 Cpad small molecule experimental 663.4251 C21H27N7O14P2 DB04072 Alpha-Methylisocitric Acid small molecule experimental 206.1501 C7H10O7 DB04073 N-{3-[4-(3-amino-propyl)-piperazin-1-yl]-propyl}-3-nitro-5-(galactopyranosyl)-beta-benzamide small molecule experimental 527.568 C23H37N5O9 DB04074 alpha-Ketoisovalerate small molecule experimental 759-05-7 116.1152 C5H8O3 DB04075 N-Acetyl-L-Glutamate small molecule experimental 1188-37-0 189.1659 C7H11NO5 DB04076 Hypoxanthine small molecule experimental 68-94-0 136.1115 C5H4N4O DB04079 Heptane-1,2,3-Triol small molecule experimental 148.2001 C7H16O3 DB04080 RU78191 small molecule experimental 180.1574 C9H8O4 DB04081 (4s-Trans)-4-(Methylamino)-5,6-Dihydro-6-Methyl-4h-Thieno(2,3-B)Thiopyran-2-Sulfonamide-7,7-Dioxide small molecule experimental 310.413 C9H14N2O4S3 DB04082 Decyloxy-Methanol small molecule experimental 188.3071 C11H24O2 DB04083 N(6)-(pyridoxal phosphate)-L-lysine small molecule experimental 2440-59-7 375.3141 C14H22N3O7P DB04084 2-deoxy-2-fluoro-ฆม-D-mannose small molecule experimental 62182-14-3 182.147 C6H11FO5 DB04085 Bis(N-maleimidomethyl)ether small molecule experimental 15209-14-0 236.1809 C10H8N2O5 DB04086 2',4'-Dinitrophenyl-2deoxy-2-Fluro-B-D-Cellobioside small molecule experimental 510.3786 C18H23FN2O14 DB04087 Open Form of 2'-Deoxy-Ribofuranose-5'-Phosphate small molecule experimental 216.1263 C5H13O7P DB04088 2-[{4-[(2S)-2-{[(Allyloxy)carbonyl]amino}-3-({4-[3-hydroxy-2-(methoxycarbonyl)phenoxy]butyl}amino)-3-oxopropyl]phenyl}(carboxycarbonyl)amino]benzoic acid small molecule experimental 677.6546 C34H35N3O12 DB04089 AL5300 small molecule experimental 380.483 C11H12N2O5S4 DB04090 RH-1 small molecule experimental 221635-42-3 234.2512 C12H14N2O3 DB04092 Apstatin small molecule experimental 160470-73-5 459.5386 C23H33N5O5 DB04093 Undecanal small molecule experimental 112-44-7 170.2918 C11H22O DB04094 4-hydroxybutan-2-one small molecule experimental 590-90-9 88.1051 C4H8O2 DB04095 9-Deazahypoxanthine small molecule experimental 135.1234 C6H5N3O DB04096 (2R,3R,4R,5R)-4,5-Dihydroxy-2-(hydroxymethyl)-6-oxo-3-piperidinyl beta-D-glucopyranoside small molecule experimental 339.2958 C12H21NO10 DB04097 Uridine-5'-diphosphate-4-deoxy-4-fluoro-alpha-D-galactose small molecule experimental 568.2928 C15H23FN2O16P2 DB04098 Balanol small molecule experimental 550.5134 C28H26N2O10 DB04099 Deamido-Nad+ small molecule experimental 665.4178 C21H27N6O15P2 DB04100 (1,10 Phenanthroline)-(Tri-Carbon Monoxide) Rhenium (I) small molecule experimental 450.446 C15H8N2O3Re DB04101 N'-[4-(2,4-Dimethyl-1,3-thiazol-5-yl)-2-pyrimidinyl]-N-hydroxyimidoformamide small molecule experimental 249.292 C10H11N5OS DB04102 2-Amino-Adenosine small molecule experimental 266.2566 C10H14N6O3 DB04103 3-Methylcytosine small molecule experimental 126.1365 C5H8N3O DB04104 3-Methyladenine small molecule experimental 5142-23-4 149.1533 C6H7N5 DB04105 N-Heptylformamide small molecule experimental 143.2267 C8H17NO DB04107 [(1-{2[(4-Carbamimidoyl-Phenylamino)-Methyl]-1-Methyl-1h-Benzoimidazol-5-Yl}-Cyclopropyl)-Pyridin-2-Yl-Methyleneaminooxy]-Acetic Acid Ethyl Ester small molecule experimental 525.6015 C29H31N7O3 DB04108 (2s,3r)-3-Amino-2-Hydroxy-5-(Ethylsulfanyl)Pentanoyl-((S)-(-)-(1-Naphthyl)Ethyl)Amide small molecule experimental 346.487 C19H26N2O2S DB04109 [4-(1,3,2-Dioxaborolan-2-Yloxy)Methyl]Benzamidine small molecule experimental 221.041 C10H14BN2O3 DB04110 2-Nitro-4-cresol small molecule experimental 119-33-5 153.1354 C7H7NO3 DB04111 Balhimycin small molecule experimental 140932-79-2 1447.25 C66H73Cl2N9O24 DB04112 (2R)-2-Acetamido-3-(octadecyloxy)propyl 2-(methylsulfanyl)ethyl hydrogen phosphate small molecule experimental 539.749 C26H54NO6PS DB04113 N-Formylpiperidine small molecule experimental 2591-86-8 113.1576 C6H11NO DB04114 3-Chloro-9-Ethyl-6,7,8,9,10,11-Hexahydro-7,11-Methanocycloocta[B]Quinolin-12-Amine small molecule experimental 298.81 C18H19ClN2 DB04116 Allolactose small molecule experimental 645-03-4 342.2965 C12H22O11 DB04117 4-(N,N-Dimethylamino)cinnamoyl-CoA small molecule experimental 940.745 C32H47N8O17P3S DB04118 N-Coeleneterazine small molecule experimental 491.5372 C30H25N3O4 DB04119 Hexatantalum Dodecabromide small molecule experimental 2055.623 Br12H11Ta6 DB04120 4-Methyl-1,2-Benzenediol small molecule experimental 452-86-8 124.1372 C7H8O2 DB04121 Guanosine-3'-monophosphate-5'-diphosphate small molecule experimental 523.1804 C10H16N5O14P3 DB04122 beta-D-glucose 6-phosphate small molecule experimental 15209-12-8 260.1358 C6H13O9P DB04123 (P-Iodophenylacetylamino)Methylphosphinic Acid small molecule experimental 339.0668 C9H11INO3P DB04124 Aurodox small molecule experimental 12704-90-4 810.9693 C44H62N2O12 DB04125 N-Alpha-(2-Naphthylsulfonyl)-N(3-Amidino-L-Phenylalaninyl)-4-Acetyl-Piperazine small molecule experimental 507.605 C26H29N5O4S DB04126 N-[1-Hydroxycarboxyethyl-Carbonyl]Leucylamino-2-Methyl-Butane small molecule experimental 316.3932 C15H28N2O5 DB04127 beta-D-arabinofuranose 5-phosphate small molecule experimental 230.1098 C5H11O8P DB04128 5-Nitroso-6-ribityl-amino-2,4(1H,3H)-pyrimidinedione small molecule experimental 290.2301 C9H14N4O7 DB04129 Willardiine small molecule experimental 21416-43-3 199.166 C7H9N3O4 DB04130 5-Methoxybenzimidazole small molecule experimental 148.1619 C8H8N2O DB04131 10-(4-Dimethylamino-5-Hydroxy-6-Methyl-Tetrahydro-Pyran-2-Yloxy)-8-Ethyl-1,8,11-Trihydroxy-7,8,9,10-Tetrahydro-Naphthacene-5,12-Dione small molecule experimental 511.5635 C28H33NO8 DB04132 S-Hexylglutathione small molecule experimental 24425-56-7 391.483 C16H29N3O6S DB04133 Degraded Cephaloridine small molecule experimental 340.418 C14H16N2O4S2 DB04135 (4S)-5-Fluoro-4-hydroxy-3,4-dihydro-2(1H)-pyrimidinone small molecule experimental 132.0931 C4H5FN2O2 DB04136 Lysophosphotidylserine small molecule experimental 485.5491 C21H44NO9P DB04137 Guanosine-5'-Triphosphate small molecule experimental 86-01-1 523.1804 C10H16N5O14P3 DB04138 5-[Bis(2-bromoethyl)amino]-N-(2,3-dioxopropyl)-2,4-dinitrobenzamide small molecule experimental 510.092 C14H14Br2N4O7 DB04139 6-Hydroxypropylthymine small molecule experimental 184.1925 C8H12N2O3 DB04140 1-Benzyl-3-(4-Methoxy-Benzenesulfonyl)-6-Oxo-Hexahydro-Pyrimidine-4-Carboxylic Acid Hydroxyamide small molecule experimental 419.452 C19H21N3O6S DB04141 2-Hexyloxy-6-Hydroxymethyl-Tetrahydro-Pyran-3,4,5-Triol small molecule experimental 264.3154 C12H24O6 DB04142 3-(3,5-Dibromo-4-Hydroxy-Benzoyl)-2-Ethyl-Benzofuran-6-Sulfonic Acid Dimethylamide small molecule experimental 531.215 C19H17Br2NO5S DB04143 Indole-3-Glycerol Phosphate small molecule experimental 287.2057 C11H14NO6P DB04144 Cis-[4,5-Bis-(4-Chlorophenyl)-2-(2-Isopropoxy-4-Methoxyphenyl)-4,5-Dihyd Roimidazol-1-Yl]-Piperazin-1-Yl-Methanone small molecule experimental 567.506 C30H32Cl2N4O3 DB04145 Nicotinyl alcohol small molecule experimental 100-55-0 109.1259 C6H7NO DB04146 I-Coeleneterazine small molecule experimental 567.3751 C26H22IN3O4 DB04147 Dodecyldimethylamine N-oxide small molecule experimental 1643-20-5 229.402 C14H31NO DB04149 (R)-Rolipram small molecule experimental 85416-75-7 275.3428 C16H21NO3 DB04150 N-alpha-Acetyl-3,5-diiodotyrosyl-D-threonine small molecule experimental 576.1222 C15H18I2N2O6 DB04151 1-Methylhistidine small molecule experimental 332-80-9 169.1811 C7H11N3O2 DB04152 2-Amino-3-(3-Hydroxy-7,8-Dihydro-6h-Cyclohepta[D]-4-Isoxazolyl)Propionic Acid small molecule experimental 238.2399 C11H14N2O4 DB04153 S-Hydroxymethyl Glutathione small molecule experimental 337.349 C11H19N3O7S DB04154 N-Methyl-N-[3-(6-Phenyl[1,2,4]Triazolo[4,3-B]Pyridazin-3-Yl)Phenyl]Acetamide small molecule experimental 343.3819 C20H17N5O DB04155 2-Fluoro-2-Deoxy-Beta-D-Galactopyranosyl-Beta-D-Glucopyranose small molecule experimental 344.2875 C12H21FO10 DB04156 Aspartate Beryllium Trifluoride small molecule experimental 200.118 C4H8BeF3NO4 DB04157 N-[(Aminooxy)Carbonyl]Aniline small molecule experimental 152.1506 C7H8N2O2 DB04158 6-(adenosine tetraphosphate-methyl)-7,8-dihydropterin small molecule experimental 764.3243 C17H24N10O17P4 DB04159 Beta-Hydroxytryptophane small molecule experimental 220.2246 C11H12N2O3 DB04160 Pyrophosphoric acid small molecule approved 2466-09-3 177.9751 H4O7P2 DB04161 Propionamide small molecule experimental 79-05-0 73.0938 C3H7NO DB04162 5-Nitro-6-ribityl-amino-2,4(1H,3H)-pyrimidinedione small molecule experimental 306.2295 C9H14N4O8 DB04163 5-Phenylsulfanyl-2,4-Quinazolinediamine small molecule experimental 268.337 C14H12N4S DB04164 1,4-Deoxy-4-((5-Hydroxymethyl-2,3,4-Trihydroxycyclohex-5-Enyl)Amino)Fructose small molecule experimental 315.276 C13H17NO8 DB04165 Valpromide small molecule experimental 143.2267 C8H17NO DB04166 Anthranilic acid small molecule experimental 118-92-3 137.136 C7H7NO2 DB04167 Aceglutamide small molecule experimental 2490-97-3 188.1812 C7H12N2O4 DB04168 Bropirimine small molecule experimental 56741-95-8 266.094 C10H8BrN3O DB04169 3,5-Diaminophthalhydrazide small molecule experimental 192.1747 C8H8N4O2 DB04170 4-bromo-3-hydroxy-3-methyl butyl diphosphate small molecule experimental 343.003 C5H13BrO8P2 DB04171 D-Isovaline small molecule experimental 117.1463 C5H11NO2 DB04172 [2,4,6-Triisopropyl-Phenylsulfonyl-L-[3-Amidino-Phenylalanine]]-Piperazine-N'-Beta-Alanine small molecule experimental 612.826 C32H48N6O4S DB04173 Fructose small molecule approved 180.1559 C6H12O6 DB04174 3'-1-carboxy-1-phosphonooxy-ethoxy-uridine-diphosphate-N-acetylglucosamine small molecule experimental 775.3957 C20H32N3O23P3 DB04175 Mdl-29951 small molecule experimental 101861-63-6 302.11 C12H9Cl2NO4 DB04176 Phosporic Acid Mono-[3,4-Dihydroxy-5-(5-Methoxy-Benzoimidazol-1-Yl)-Tetrahydro-Furan-2-Ylmethyl] Ester small molecule experimental 360.2564 C13H17N2O8P DB04177 Digitoxigenin small molecule experimental 143-62-4 374.5137 C23H34O4 DB04178 Di-Stearoyl-3-Sn-Phosphatidylcholine small molecule experimental 791.1531 C44H89NO8P DB04179 Benzofuran small molecule experimental 271-89-6 118.1326 C8H6O DB04180 4-(Aminosulfonyl)-N-[(2,4-Difluorophenyl)Methyl]-Benzamide small molecule experimental 326.318 C14H12F2N2O3S DB04182 (S)-2-Amino-4-[(2s,3r)-2,3,5-Trihydroxy-4-Oxo-Pentyl]Mercapto-Butyric Acid small molecule experimental 267.299 C9H17NO6S DB04183 Methylmalonic Acid small molecule experimental 516-05-2 118.088 C4H6O4 DB04185 Norvaline small molecule experimental 6600-40-4 117.1463 C5H11NO2 DB04186 N'-(Pyrrolidino[2,1-B]Isoindolin-4-On-8-Yl)-N-(Pyridin-2-Yl)Urea small molecule experimental 308.3345 C17H16N4O2 DB04187 (9S,10S)-9-(S-glutathionyl)-10-hydroxy-9,10-dihydrophenanthrene small molecule experimental 501.552 C24H27N3O7S DB04188 MDL72527 small molecule experimental 99207-33-7 192.3006 C12H20N2 DB04189 N(2)-(2-carboxyethyl)-L-arginine small molecule experimental 246.2636 C9H18N4O4 DB04190 2,5-dibenzyloxy-3-hydroxy-hexanedioic acid bis-[(2-hydroxy-indan-1-yl)-amide] small molecule experimental 636.7334 C38H40N2O7 DB04191 Skf 107457 small molecule experimental 144285-77-8 577.7128 C29H47N5O7 DB04193 L-Homoserine small molecule experimental 672-15-1 119.1192 C4H9NO3 DB04194 Triacetylchitotriose small molecule experimental 13319-32-9 627.5928 C24H41N3O16 DB04195 Heptulose-2-Phosphate small molecule experimental 274.1624 C7H15O9P DB04196 Pteroic acid small molecule experimental 119-24-4 312.2835 C14H12N6O3 DB04197 Descarboxy-nor-N(Omega)-Hydroxy-L-Arginine small molecule experimental 133.1722 C4H13N4O DB04198 Formycin B small molecule experimental 268.2261 C10H12N4O5 DB04199 1-Monohexanoyl-2-Hydroxy-Sn-Glycero-3-Phosphate small molecule experimental 270.2167 C9H19O7P DB04200 Matairesinol small molecule experimental 580-72-3 358.3851 C20H22O6 DB04201 Histidyl-Adenosine Monophosphate small molecule experimental 484.3605 C16H21N8O8P DB04202 Isoformononetin small molecule experimental 268.2641 C16H12O4 DB04203 3-Mercuri-4-Aminobenzenesulfonamide small molecule experimental 371.79 C6H7HgN2O2S DB04204 [(4-{4-[4-(Difluoro-Phosphono-Methyl)-Phenyl]-Butyl}-Phenyl)-Difluoro-Methyl]-Phosphonic Acid small molecule experimental 470.2889 C18H20F4O6P2 DB04205 Thymidine-3',5'-Diphosphate small molecule experimental 402.1884 C10H16N2O11P2 DB04206 7-Aza-L-tryptophan small molecule experimental 49758-35-2 205.2132 C10H11N3O2 DB04207 L-Saccharopine small molecule experimental 997-68-2 276.2863 C11H20N2O6 DB04208 3-(3,4-dimethoxyphenyl)propanoic acid small molecule experimental 2107-70-2 210.2265 C11H14O4 DB04210 3-(alpha-D-galactopyranosyloxy)-N-(3-{4-[3-({2-[(3-{4-[3-({[3-(hexopyranosyloxy)-5-nitrophenyl]carbonyl}amino)propyl]piperazin-1-yl}propyl)amino]-3,4-dioxocyclobut-1-en-1-yl}amino)propyl]piperazin-1-yl}propyl)-5-nitrobenzamide small molecule experimental 1133.1617 C50H72N10O20 DB04211 5-(acetylamino)-3,5-dideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid small molecule experimental 327.2603 C11H18FNO9 DB04212 2-Iminiopropanoate small molecule experimental 87.0773 C3H5NO2 DB04213 N-Cyclohexyl-N'-(Propyl)Phenyl Urea small molecule experimental 260.3746 C16H24N2O DB04214 4-Nitrophenyl Phosphate small molecule experimental 330-13-2 219.0887 C6H6NO6P DB04215 CRA_9076 small molecule experimental 344.206 C16H14BrN3O DB04216 Quercetin small molecule experimental 117-39-5 302.2357 C15H10O7 DB04217 L-2-amino-3-butynoic acid small molecule experimental 73537-09-4 99.088 C4H5NO2 DB04218 1-Deaza-Adenosine small molecule experimental 266.2533 C11H14N4O4 DB04219 Trivanadate small molecule experimental 281.8276 HO8V3 DB04220 CGP 4832 small molecule experimental 113303-81-4 936.065 C49H65N3O15 DB04221 Didecyldimethylammonium small molecule approved 20256-56-8 326.6232 C22H48N DB04222 Sparsomycin small molecule experimental 1404-64-4 361.437 C13H19N3O5S2 DB04223 Nitroarginine small molecule experimental 2149-70-4 219.1985 C6H13N5O4 DB04225 N-Methyldehydrobutyrine small molecule experimental 115.1305 C5H9NO2 DB04226 Dihydro-Acarbose small molecule experimental 647.6207 C25H45NO18 DB04227 9-Amino-2-deoxy-2,3-dehydro-n-acetyl-neuraminic acid small molecule experimental 290.2698 C11H18N2O7 DB04228 Dihydroxyphenylglycine small molecule experimental 162870-29-3 183.1614 C8H9NO4 DB04229 7,10,13-Tri(Carboxymethyl)-5,15-Dioxo-4,7,10,13,16-Pentaaza-1,19-Dithianonadecane small molecule experimental 511.613 C18H33N5O8S2 DB04230 Nitromethyldethia coenzyme A small molecule experimental 794.4933 C22H37N8O18P3 DB04231 Tetra(Imidazole)Diaquacopper (I) small molecule experimental 371.886 C12H20CuN8O2 DB04232 N-Hydroxy-1-(4-Methoxyphenyl)Sulfonyl-4-Benzyloxycarbonyl-Piperazine-2-Carboxamide small molecule experimental 449.478 C20H23N3O7S DB04233 (Hydroxyethyloxy)Tri(Ethyloxy)Octane small molecule experimental 306.4382 C16H34O5 DB04234 N2-({[(4-Bromophenyl)Methyl]Oxy}Carbonyl)-N1-[(1s)-1-Formylpentyl]-L-Leucinamide small molecule experimental 441.359 C20H29BrN2O4 DB04235 4-Amino Hexanoic Acid small molecule experimental 131.1729 C6H13NO2 DB04236 2-Amino-3-(1h-Indol-3-Yl)-Propan-1-Ol small molecule experimental 190.2417 C11H14N2O DB04237 Tris(Hydroxyethyl)Aminomethane small molecule experimental 163.2148 C7H17NO3 DB04238 N-Alpha-(2-Naphthylsulfonyl)-N-(3-Amidino-L-Phenylalaninyl)-D-Pipecolinic Acid small molecule experimental 508.589 C26H28N4O5S DB04239 2-Amino-6-Aminomethyl-8-Phenylsulfanylmethyl-3h-Quinazolin-4-One small molecule experimental 312.389 C16H16N4OS DB04240 (1S)-1-C-{(2R)-6-[(2R)-2-Butanyl]-5,10-dihydroxy-4-oxo-1,2,3,4-tetrahydro-2-anthracenyl}-5-deoxy-1-O-methyl-D-xylulose small molecule experimental 430.4908 C24H30O7 DB04241 N-Pyridoxyl-2-Methylalanine-5-Phosphate small molecule experimental 334.2622 C12H19N2O7P DB04242 4-hydroxybenzoic acid small molecule experimental 99-96-7 138.122 C7H6O3 DB04243 TMP small molecule experimental 338.2079 C10H15N2O9P DB04244 (2R)-2-(3-Biphenylyl)-N-{(2R)-2-hydroxy-3-[(2-pyridinylsulfonyl)amino]propyl}-4-methylpentanamide small molecule experimental 481.607 C26H31N3O4S DB04246 CRA_23653 small molecule experimental 372.443 C22H22N5O DB04248 beta-(1->4)-galactotriose small molecule experimental 504.4371 C18H32O16 DB04249 Zinc Substituted Heme C small molecule experimental 628.067 C34H34N4O4Zn DB04250 Butyrylthiocholine small molecule experimental 190.326 C9H20NOS DB04252 N-Carbamoylaspartic acid small molecule experimental 13184-27-5 176.1274 C5H8N2O5 DB04254 8-Benzo[1,3]Dioxol-,5-Ylmethyl-9-Butyl-2-Fluoro-9h-Purin-6-Ylamine small molecule experimental 343.3555 C17H18FN5O2 DB04255 Inhibitor BEA388 small molecule experimental 633.7312 C35H43N3O8 DB04256 (S)-alpha-methyl-4-carboxyphenylglycine small molecule experimental 150145-89-4 209.1986 C10H11NO4 DB04257 Palmitoleic Acid small molecule experimental 373-49-9 254.4082 C16H30O2 DB04259 7-Methyl-7,8-dihydroguanosine 5'-(dihydrogen phosphate) small molecule experimental 379.2631 C11H18N5O8P DB04260 9-(5,5-Difluoro-5-Phosphonopentyl)Guanine small molecule experimental 337.2198 C10H14F2N5O4P DB04261 Carbamic Acid small molecule experimental 463-77-4 61.04 CH3NO2 DB04262 3-(7-hydroxy-8-ribityllumazine-6-yl) propionic acid small molecule experimental 386.3141 C14H18N4O9 DB04263 Geneticin small molecule experimental 49863-47-0 496.5524 C20H40N4O10 DB04264 (10R)-10-formyl-5,8,10-trideazafolic acid small molecule experimental 482.4428 C23H22N4O8 DB04265 N-acetyl-beta-neuraminic acid small molecule experimental 19342-33-7 309.2699 C11H19NO9 DB04266 5-(6-D-ribitylamino-2,4-dihydroxypyrimidin-5-yl)-1-pentyl-phosphonic acid small molecule experimental 411.3447 C14H26N3O9P DB04267 Dipicolinic acid small molecule experimental 499-83-2 167.1189 C7H5NO4 DB04268 Methylumbelliferyl chitotriose small molecule experimental 785.7463 C34H47N3O18 DB04269 Cyclotheonamide A small molecule experimental 129033-04-1 731.798 C36H45N9O8 DB04270 (S)-3-(4-(2-Carbazol-9-Yl-Ethoxy)-Phenyl)-2-Ethoxy-Propionic Acid small molecule experimental 403.4703 C25H25NO4 DB04271 3,5-Dimethyl-1h-Pyrazole-4-Carboxylic Acid Ethyl Ester small molecule experimental 168.1931 C8H12N2O2 DB04273 8,9-Dichloro-2,3,4,5-Tetrahydro-1h-Benzo[C]Azepine small molecule experimental 216.107 C10H11Cl2N DB04274 (2S)-7-hydroxyflavanone small molecule experimental 2545-13-3 240.254 C15H12O3 DB04275 N-acetylserotonin small molecule experimental 1210-83-9 218.2518 C12H14N2O2 DB04276 4-[[(2S)-2-[[(2S)-3-Carboxy-2-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]butyl-(diaminomethylidene)azanium small molecule experimental 360.4292 C15H30N5O5 DB04277 Fructose -6-Phosphate small molecule experimental 260.1358 C6H13O9P DB04278 2-[2-(2-Cyclohexyl-2-guanidino-acetylamino)-acetylamino]-N-(3-mercapto-propyl)-propionamide small molecule experimental 400.539 C17H32N6O3S DB04279 3-Isopropylmalic Acid small molecule experimental 176.168 C7H12O5 DB04280 3,4-Dihydro-2'-deoxyuridine-5'-monophosphate small molecule experimental 310.1978 C9H15N2O8P DB04281 2-[4-(4-Chlorophenyl)Cyclohexylidene]-3,4-Dihydroxy-1(2h)-Naphthalenone small molecule experimental 366.837 C22H19ClO3 DB04282 2-deoxy-2-fluoro-ฆม-D-glucose small molecule experimental 182.1469 C6H11FO5 DB04283 2-Bromohypoxanthine small molecule experimental 87781-93-9 215.008 C5H3BrN4O DB04284 L-proline betaine small molecule experimental 471-87-4 143.1836 C7H13NO2 DB04285 {4-[(2s,4e)-2-(1,3-Benzothiazol-2-Yl)-2-(1h-1,2,3-Benzotriazol-1-Yl)-5-Phenylpent-4-Enyl]Phenyl}(Difluoro)Methylphosphonic Acid small molecule experimental 602.591 C31H25F2N4O3PS DB04286 beta-D-Ribopyranose small molecule experimental 7296-60-8 150.1299 C5H10O5 DB04287 KH064 small molecule experimental 393569-31-8 487.6298 C31H37NO4 DB04288 2-[Trans-(4-Aminocyclohexyl)Amino]-6-(Benzyl-Amino)-9-Cyclopentylpurine small molecule experimental 405.5391 C23H31N7 DB04289 Genz-10850 small molecule experimental 393.4803 C26H23N3O DB04291 Oxfenicine small molecule experimental 32462-30-9 167.162 C8H9NO3 DB04292 4-[(Isopropylamino)Methyl]Phenylalanine small molecule experimental 236.3101 C13H20N2O2 DB04293 7-(2-Amino-2-Phenyl-Acetylamino)-3-Chloro-8-Oxo-1-Aza-Bicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid small molecule experimental 349.769 C16H16ClN3O4 DB04294 5-Phosphoribosyl-1-(Beta-Methylene) Pyrophosphate small molecule experimental 388.0968 C6H15O13P3 DB04295 N-(Benzoylcarbamoyl)-beta-D-glucopyranosylamine small molecule experimental 326.3019 C14H18N2O7 DB04296 5-Oxo-L-Norleucine small molecule experimental 145.1564 C6H11NO3 DB04297 Trichostatin A small molecule experimental 58880-19-6 302.3682 C17H22N2O3 DB04298 3-(4-Amino-2-Tert-Butyl-5-Methyl-Phenylsulfanyl)-6-Cyclopentyl-4-Hydroxy-6-[2-(4-Hydroxy-Phenyl)-Ethyl]-5,6-Dihydro-Pyran-2-One small molecule experimental 495.673 C29H37NO4S DB04299 Maleic Acid small molecule experimental 110-16-7 116.0722 C4H4O4 DB04300 (1s,3r,4r,6s)-1,3,4,6-Tetrapkisphosphate small molecule experimental 500.0755 C6H16O18P4 DB04301 Bis(5-Amidino-2-Benzimidazolyl)Methane Ketone Hydrate small molecule experimental 366.3772 C17H18N8O2 DB04302 4-Hydroxy-3,5-Dimethyl-5-(2-Methyl-Buta-1,3-Dienyl)-5h-Thiophen-2-One small molecule experimental 82079-32-1 210.293 C11H14O2S DB04303 4-O-methyl-alpha-D-glucuronic acid small molecule experimental 208.166 C7H12O7 DB04304 L-Gluconic Acid small molecule experimental 526-97-6 196.1553 C6H12O7 DB04306 5-[(4-Methylphenyl)Sulfanyl]-2,4-Quinazolinediamine small molecule experimental 282.363 C15H14N4S DB04307 5-Hydroxy-N-Propargyl-1(R)-Aminoindan small molecule experimental 187.2377 C12H13NO DB04308 D-4-hydroxyphenylglycine small molecule experimental 22818-40-2 167.162 C8H9NO3 DB04310 2-[(Formyl-Hydroxy-Amino)-Methyl]-Heptanoic Acid [1-(2-Hydroxymethyl-Pyrrolidine-1-Carbonyl)-2-Methyl-Propyl]-Amide small molecule experimental 13434-13-4 385.4983 C19H35N3O5 DB04311 4-Phenylbutylamine small molecule experimental 149.2328 C10H15N DB04312 2,3-Difluorobenzyl Alcohol small molecule experimental 144.1187 C7H6F2O DB04313 (3S)-3-methyl-D-aspartic acid small molecule experimental 121570-10-3 147.1293 C5H9NO4 DB04314 1-Methylcytosine small molecule experimental 1122-47-0 125.1286 C5H7N3O DB04315 Guanosine-5'-Diphosphate small molecule experimental 146-91-8 443.2005 C10H15N5O11P2 DB04316 D-[(N-Hydroxyamino)Carbonyl]Phenylalanine small molecule experimental 224.2133 C10H12N2O4 DB04317 3,3-Dichloro-2-Phosphonomethyl-Acrylic Acid small molecule experimental 234.959 C4H5Cl2O5P DB04318 Nฆม-[(2S)-2-{[(S)-[(1S)-1-{[(Benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl]methyl}-5-phenylpentanoyl]-L-tryptophanamide small molecule experimental 694.7557 C39H43N4O6P DB04320 2-Bromo-2-Propene-1-Ol small molecule experimental 136.975 C3H5BrO DB04321 N-Hexylphosphonate Ethyl Ester small molecule experimental 194.2084 C8H19O3P DB04322 LY249543 small molecule experimental 443.4531 C21H25N5O6 DB04323 2-Amino-3-(Cystein-S-Yl)-Isoxazolidin-5-Yl-Acetic Acid small molecule experimental 265.287 C8H15N3O5S DB04324 Ovalicin small molecule experimental 298.3746 C16H26O5 DB04325 Phenethylamine small molecule experimental 64-04-0 121.1796 C8H11N DB04327 Phosphatidylethanolamine small molecule experimental 749.0734 C41H83NO8P DB04328 Shikimate-3-Phosphate small molecule experimental 254.1312 C7H11O8P DB04329 Isoquinoline small molecule experimental 119-65-3 129.1586 C9H7N DB04330 Bilh 434 small molecule experimental 608.449 C29H19Cl2N3O6S DB04331 Monastrol small molecule experimental 254753-54-3 292.353 C14H16N2O3S DB04332 2-{2-[2-2-(Methoxy-Ethoxy)-Ethoxy]-Ethoxy}-Ethanol small molecule experimental 208.2521 C9H20O5 DB04333 Octamethylenediamine small molecule experimental 373-44-4 144.2578 C8H20N2 DB04334 6-hydroxydopa quinone small molecule experimental 64192-68-3 211.1715 C9H9NO5 DB04335 Inosine small molecule experimental 58-63-9 268.2261 C10H12N4O5 DB04336 1-(4-Amidinophenyl)-3-(4-Chlorophenyl)Urea small molecule experimental 288.732 C14H13ClN4O DB04337 Isocyanomethane small molecule experimental 593-75-9 41.0519 C2H3N DB04338 SB220025 small molecule experimental 338.3821 C18H19FN6 DB04340 2-[(Dioxidophosphoranyl)oxy]benzoate small molecule experimental 200.0854 C7H5O5P DB04341 S-(3-Iodobenzyl)glutathione small molecule experimental 523.343 C17H22IN3O6S DB04342 7-((Carboxy(4-Hydroxyphenyl)Acetyl)Amino)-7-Methoxy-(3-((1-Methyl-1h-Tetrazol-5-Yl)Thio)Methyl)-8-Oxo-5-Oxa-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid small molecule experimental 520.473 C20H20N6O9S DB04343 Glyoxylic acid small molecule experimental 298-12-4 74.0355 C2H2O3 DB04345 Lumichrome small molecule experimental 1086-80-2 242.2334 C12H10N4O2 DB04346 (2r,4s)-2-Methyl-2,3,3,4-Tetrahydroxytetrahydrofuran small molecule experimental 150.1299 C5H10O5 DB04347 3-Dehydroshikimate small molecule experimental 172.1354 C7H8O5 DB04348 Taurocholic acid small molecule approved 81-24-3 515.703 C26H45NO7S DB04349 (S)-propane-1,2-diol small molecule experimental 4254-15-3 76.0944 C3H8O2 DB04350 Argadin small molecule experimental 289665-92-5 674.7054 C29H42N10O9 DB04351 Aconitate Ion small molecule experimental 171.0844 C6H3O6 DB04352 beta-D-Ribose-5-phosphate small molecule experimental 34980-66-0 230.1098 C5H11O8P DB04353 Tert-butyl N-[(2S,5R)-6-[[(2S)-5-amino-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-benzyl-3,6-dioxo-1-phenylhexan-2-yl]carbamate small molecule experimental 685.822 C38H47N5O7 DB04356 9-Deazaguanine small molecule experimental 65996-58-9 150.138 C6H6N4O DB04357 Pteric acid small molecule experimental 313.2914 C14H13N6O3 DB00453 Clomocycline small molecule experimental 1181-54-0 508.906 C23H25ClN2O9 DB00466 Picrotoxin small molecule experimental 124-87-8 602.5832 C30H34O13 DB04359 Vinylsulfonic acid small molecule experimental 1184-84-5 108.116 C2H4O3S DB04360 Benzo[B]Thiophene-2-Boronic Acid small molecule experimental 178.016 C8H7BO2S DB04361 Methyldiazene small molecule experimental 26981-93-1 44.0559 CH4N2 DB04362 Adenosine Diphosphate 5-(Beta-Ethyl)-4-Methyl-Thiazole-2-Carboxylic Acid small molecule experimental 593.378 C17H19N6O12P2S DB04363 Mesobiliverdin IV alpha small molecule experimental 586.678 C33H38N4O6 DB04364 (R)-acetoin small molecule experimental 88.1051 C4H8O2 DB04365 Arecoline small molecule experimental 63-75-2 155.1943 C8H13NO2 DB04366 3'-Deoxy 3'-Amino Adenosine-5'-Diphosphate small molecule experimental 426.2164 C10H16N6O9P2 DB04367 Debromohymenialdisine small molecule experimental 125118-55-0 245.2373 C11H11N5O2 DB04368 Bb-3497 small molecule experimental 235784-88-0 329.435 C16H31N3O4 DB04369 1,3,2-Dioxaborolan-2-Ol small molecule experimental 87.87 C2H5BO3 DB04370 S-sulphocysteine small molecule experimental 1637-71-4 201.221 C3H7NO5S2 DB04371 AL6528 small molecule experimental 372.44 C13H12N2O5S3 DB04372 L-Dilinoleoyllecithin small molecule experimental 998-06-1 782.0817 C44H80NO8P DB04373 4-Amino-N-{4-[2-(2,6-Dimethyl-Phenoxy)-Acetylamino]-3-Hydroxy-1-Isobutyl-5-Phenyl-Pentyl}-Benzamide small molecule experimental 531.6856 C32H41N3O4 DB04374 4-Carboxy-5-(1-Pentyl)Hexylsulfanyl-1,2,3-Triazole small molecule experimental 299.432 C14H25N3O2S DB04376 13-Acetylphorbol small molecule experimental 406.4694 C22H30O7 DB04377 Meglutol small molecule experimental 503-49-1 162.1406 C6H10O5 DB04378 3-Amino-N-{4-[2-(2,6-Dimethyl-Phenoxy)-Acetylamino]-3-Hydroxy-1-Isobutyl-5-Phenyl-Pentyl}-Benzamide small molecule experimental 531.6856 C32H41N3O4 DB04379 N-Methyl-N-(Methylbenzyl)Formamide small molecule experimental 163.2163 C10H13NO DB04380 Allantoate small molecule experimental 175.1228 C4H7N4O4 DB04381 Crotonaldehyde small molecule experimental 123-73-9 70.0898 C4H6O DB04382 2-Deoxy-alpha-D-galactopyranose small molecule experimental 14215-77-1 164.1565 C6H12O5 DB04383 L-valinol small molecule experimental 2026-48-4 103.1628 C5H13NO DB04384 Fe-Mesopone small molecule experimental 636.53 C34H36FeN4O5 DB04385 3-Deazacytidine small molecule experimental 242.2286 C10H14N2O5 DB04386 4,6-O-(1-Carboxyethylidene)-Beta-D-Glucose small molecule experimental 250.2027 C9H14O8 DB04387 1-Hydroxy-2-Amino-3-Cyclohexylpropane small molecule experimental 157.2533 C9H19NO DB04388 4-Carboxy-4-Aminobutanal small molecule experimental 131.1299 C5H9NO3 DB04389 Ado-P-Ch2-P-Ps-Ado small molecule experimental 770.5 C21H29N10O14P3S DB04391 Aeruginosin 98-B small molecule experimental 654.78 C29H46N6O9S DB04392 Bishydroxy[2h-1-Benzopyran-2-One,1,2-Benzopyrone] small molecule experimental 336.295 C19H12O6 DB04393 Soneclosan small molecule experimental 3380-30-1 255.097 C12H8Cl2O2 DB04394 3-Nitro-4-(2-Oxo-Pyrrolidin-1-Yl)-Benzenesulfonamide small molecule experimental 285.276 C10H11N3O5S DB04395 Phosphoaminophosphonic Acid-Adenylate Ester small molecule experimental 506.1963 C10H17N6O12P3 DB04396 Thiodigalactoside small molecule experimental 51555-87-4 358.362 C12H22O10S DB04397 Alpha-D-Glucose-1-Phosphate-6-Vanadate small molecule experimental 359.0755 C6H13O12PV DB04400 L-erythro-7,8-dihydrobiopterin small molecule experimental 6779-87-9 239.2312 C9H13N5O3 DB04401 Betaine aldehyde small molecule experimental 7418-61-3 102.1549 C5H12NO DB04404 Allosamizoline small molecule experimental 216.2343 C9H16N2O4 DB04405 2-[2-(1,3-Dioxo-1,3-Dihydro-2h-Isoindol-2-Yl)Ethyl]-4-(4'-Ethoxy-1,1'-Biphenyl-4-Yl)-4-Oxobutanoic Acid small molecule experimental 471.5012 C28H25NO6 DB04406 3-(Phosphonomethyl)Pyridine-2-Carboxylic Acid small molecule experimental 217.1159 C7H8NO5P DB04407 4-[4-(4-Methyl-2-Methylamino-Thiazol-5-Yl)-Pyrimidin-2-Ylamino]-Phenol small molecule experimental 313.378 C15H15N5OS DB04408 Ncs-Chromophore small molecule experimental 81604-85-5 659.636 C35H33NO12 DB04409 Naphthalene Trisulfonate small molecule experimental 365.336 C10H5O9S3 DB04410 3-Phenylpropylamine small molecule experimental 2038-57-5 135.21 C9H13N DB04411 Alpha-N-Dichloroacetyl-P-Aminophenylserinol small molecule experimental 293.146 C11H14Cl2N2O3 DB04414 Heptamolybdate small molecule experimental 1097.9 H42Mo7O24 DB04415 3-Amino-1-Chloro-4-Phenyl-Butanol-2-Yl small molecule experimental 199.677 C10H14ClNO DB04416 R-2-{[4'-Methoxy-(1,1'-Biphenyl)-4-Yl]-Sulfonyl}-Amino-6-Methoxy-Hex-4-Ynoic Acid small molecule experimental 403.449 C20H21NO6S DB04417 P-Nitrophenol small molecule experimental 100-02-7 139.1088 C6H5NO3 DB04418 Adenylosuccinic acid small molecule experimental 19046-78-7 463.2934 C14H18N5O11P DB04419 D-norleucine small molecule experimental 327-56-0 131.1729 C6H13NO2 DB04421 Nicotinamide adenine dinucleotide 3-pentanone adduct small molecule experimental 747.5415 C26H35N7O15P2 DB04422 Homocysteine small molecule experimental 6027-13-0 135.185 C4H9NO2S DB04423 Coproporphyrin I containing CO(III) small molecule experimental 711.6262 C36H36CoN4O8 DB04424 RPR128515 small molecule experimental 458.5521 C27H30N4O3 DB04425 7,8-Dihydroneopterin small molecule experimental 255.2306 C9H13N5O4 DB04426 Alpha-Methyl-N-Acetyl-D-Glucosamine small molecule experimental 235.2344 C9H17NO6 DB04427 4-Methyl-N-[(2S)-1-oxo-3-phenyl-1-[[(3S)-1-phenyl-5-(phenylmethoxysulfamoyl)pentan-3-yl]amino]propan-2-yl]piperazine-1-carboxamide small molecule experimental 621.79 C33H43N5O5S DB04429 4'-Hydroxyflavanone small molecule experimental 240.254 C15H12O3 DB04430 3-(4-Phenylamino-Phenylamino)-2-(1h-Tetrazol-5-Yl)-Acrylonitrile small molecule experimental 303.3213 C16H13N7 DB04431 4-epi-vancosaminyl derivative of vancomycin small molecule experimental 1595.47 C73H91Cl2N10O26 DB04432 ZK-805623 small molecule experimental 398.386 C20H18F2N5O2 DB04433 Verpacamide A small molecule experimental 253.3009 C11H19N5O2 DB04434 Naphthyridine Inhibitor small molecule experimental 289.3345 C17H15N5 DB04436 3-Fluoro-L-tyrosine small molecule experimental 7423-96-3 199.179 C9H10FNO3 DB04437 Cysteine-Methylene-Carbamoyl-1,10-Phenanthroline small molecule experimental 356.399 C17H16N4O3S DB04438 Brivudine monophosphate small molecule experimental 80860-82-8 413.115 C11H14BrN2O8P DB04439 Modified Acarbose Pentasaccharide small molecule experimental 791.746 C31H53NO22 DB04440 Nebularine small molecule experimental 550-33-4 252.2267 C10H12N4O4 DB04441 2-Fluoroadenosine small molecule experimental 146-78-1 285.2318 C10H12FN5O4 DB04442 Imino[2-(2-oxo-1,2-dihydro-3-pyridinyl)-1H-benzimidazol-5-yl]methanaminium small molecule experimental 254.2673 C13H12N5O DB04444 Tetrafluoroaluminate Ion small molecule experimental 21340-02-3 102.9752 AlF4 DB04445 Mercuric iodide small molecule experimental 7774-29-0 454.4 HgI2 DB04446 Benzo[B]Thiophene-2-Carboxamidine small molecule experimental 177.246 C9H9N2S DB04447 1,4-Dithiothreitol small molecule experimental 3483-12-3 154.251 C4H10O2S2 DB04448 2,4-Difluorobenzyl Alcohol 2,4-Difluoro-1-(Hydroxymethyl)Benzene small molecule experimental 144.1187 C7H6F2O DB04449 5-(3,3-Dihydroxypropeny)-3-Methoxy-Benzene-1,2-Diol small molecule experimental 212.1993 C10H12O5 DB04450 Heptyl 1-Thiohexopyranoside small molecule experimental 294.408 C13H26O5S DB04451 4-Methylpiperazin-1-Yl Carbonyl Group small molecule experimental 144.1717 C6H12N2O2 DB04452 Aminoquinuride small molecule experimental 3811-56-1 372.4231 C21H20N6O DB04453 4-O-(4,6-Dideoxy-4-{[4-[(4-O-Hexopyranosylhexopyranosyl)Oxy]-5,6-Dihydroxy-3-(Hydroxymethyl)Cyclohex-2-En-1-Yl]Amino}Hexopyranosyl)Hexopyranose small molecule experimental 807.7454 C31H53NO23 DB04454 Alpha-Aminobutyric Acid small molecule experimental 103.1198 C4H9NO2 DB04455 N,N,N-trimethylglycinium small molecule experimental 118.1543 C5H12NO2 DB04456 Arsenous acid small molecule experimental 13464-58-9 125.9436 AsH3O3 DB04457 2'-Deoxyguanosine-5'-Monophosphate small molecule experimental 902-04-5 347.2212 C10H14N5O7P DB04458 2,2-Dichloro-1-methanesulfinyl-3-methyl-cyclopropanecarboxylic acid [1-(4-bromo-phenyl)-ethyl]-amide small molecule experimental 413.15 C14H16BrCl2NO2S DB04459 3,4-Dichloroisocoumarin small molecule experimental 215.033 C9H4Cl2O2 DB04460 (C8-S)-Hydantocidin 5'-phosphate small molecule experimental 459.2998 C13H22N3O13P DB04461 Coproporphyrinogen III small molecule experimental 2624-63-7 660.7566 C36H44N4O8 DB04462 Tetrabromo-2-Benzotriazole small molecule experimental 434.708 C6HBr4N3 DB04463 3-(4-Amino-1-Tert-Butyl-1h-Pyrazolo[3,4-D]Pyrimidin-3-Yl)Phenol small molecule experimental 283.3284 C15H17N5O DB04464 N-Formylmethionine small molecule experimental 4289-98-9 177.221 C6H11NO3S DB04465 Lactose small molecule approved 63-42-3 342.2965 C12H22O11 DB04466 SR12813 small molecule experimental 126411-39-0 504.5336 C24H42O7P2 DB04467 N-(5'-phosphopyridoxyl)-L-alanine small molecule experimental 320.2356 C11H17N2O7P DB04469 1-(4-Methoxyphenyl)-3,5-Dimethyl-1h-Pyrazole-4-Carboxylic Acid Ethyl Ester small molecule experimental 274.315 C15H18N2O3 DB04470 CRA_10656 small molecule experimental 324.377 C18H20N4O2 DB04471 2-Phenyl-1-[4-(2-Piperidin-1-Yl-Ethoxy)-Phenyl]-1,2,3,4-Tetrahydro-Isoquinolin-6-Ol small molecule experimental 428.5659 C28H32N2O2 DB04472 (R)-1-Para-Nitro-Phenyl-2-Azido-Ethanol small molecule experimental 208.1741 C8H8N4O3 DB04473 alpha-L-fucose small molecule experimental 6696-41-9 164.1565 C6H12O5 DB04474 8-anilinonaphthalene-1-sulfonic acid small molecule experimental 82-76-8 299.344 C16H13NO3S DB04476 Trencam-3,2-Hopo small molecule experimental 153.1354 C7H7NO3 DB04477 2'-Deoxy-2'-[(3,5-dimethoxybenzoyl)amino]-N-[(1R)-1,2,3,4-tetrahydro-1-naphthalenyl]adenosine small molecule experimental 560.601 C29H32N6O6 DB04478 Cp-166572, 2-Hydroxymethyl-4-(4-N,N-Dimethylaminosulfonyl-1-Piperazino)-Pyrimidine small molecule experimental 301.365 C11H19N5O3S DB04479 4-Nitro-Inden-1-One small molecule experimental 175.1409 C9H5NO3 DB04480 3-(4-Fluorophenyl)-2-(6-Methylpyridin-2-Yl)-5,6-Dihydro-4h-Pyrrolo[1,2-B]Pyrazole small molecule experimental 293.3381 C18H16FN3 DB04481 Erythritol small molecule experimental 149-32-6 122.1198 C4H10O4 DB04482 Cmp-2-Keto-3-Deoxy-Octulosonic Acid small molecule experimental 543.3732 C17H26N3O15P DB04483 2-deoxy-2-fluoro-ฆย-D-mannose small molecule experimental 55449-80-4 182.1469 C6H11FO5 DB04484 L-phenylalaninol small molecule experimental 3182-95-4 151.2056 C9H13NO DB04485 Thymidine small molecule experimental 50-89-5 242.2286 C10H14N2O5 DB04486 (2s)-2,8-Diaminooctanoic Acid small molecule experimental 174.2407 C8H18N2O2 DB04487 N-Methylleucine small molecule experimental 31321-74-1 145.1995 C7H15NO2 DB04488 (6S)-N-[(2S,3R,6R,7R)-3-(Acetyloxymethyl)-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]octan-7-yl]-6-[(2-aminoacetyl)amino]-7-hydroxy-7-oxoheptanimidate small molecule experimental 487.504 C19H27N4O9S DB04489 Guanidinoethylmercaptosuccinic acid small molecule experimental 77482-44-1 235.261 C7H13N3O4S DB04490 3-(Mercaptomethylene)Pyridine small molecule experimental 125.191 C6H7NS DB04491 Diisopropylphosphono Group small molecule experimental 166.1553 C6H15O3P DB04492 2-(acetylamino)-2-deoxy-4-O-sulfo-alpha-D-galactopyranose small molecule experimental 301.271 C8H15NO9S DB04493 Fructose-6-phosphate small molecule experimental 643-13-0 260.1358 C6H13O9P DB04494 Dihydroxy(oxo)molybdenum(6+) small molecule experimental 145.95 H2MoO3 DB04495 Paratoulene phosphate small molecule experimental 579.5806 C30H34N3O7P DB04496 4-Phospho-D-erythronohydroxamic acid small molecule experimental 718599-64-5 231.0979 C4H10NO8P DB04497 2'-Monophosphoadenosine-5'-Diphosphoribose small molecule experimental 644.3353 C15H29N5O17P3 DB04498 Aspartate Semialdehyde small molecule experimental 117.1033 C4H7NO3 DB04499 (R)-styrene oxide small molecule experimental 20780-53-4 120.1485 C8H8O DB04500 Acedoben small molecule experimental 556-08-1 179.1727 C9H9NO3 DB04501 Camphane small molecule experimental 464-15-3 138.2499 C10H18 DB04502 WRR-204 small molecule experimental 600.724 C34H36N2O6S DB04503 Sp-722 small molecule experimental 428.414 C17H20N2O9S DB04504 (3s)-2,3,4,5-Tetrahydropyridin-3-Amine small molecule experimental 98.1463 C5H10N2 DB04505 8-(2-Chloro-3,4,5-Trimethoxy-Benzyl)-9-Pent-4-Ylnyl-9h-Purin-6-Ylamine small molecule experimental 415.873 C20H22ClN5O3 DB04506 Chlorophyll B small molecule experimental 519-62-0 907.492 C55H70MgN4O6 DB04508 Methyl(6s)-1-Thio-L-Manno-Hexodialdo-6,2-Pyranoside small molecule experimental 208.232 C7H12O5S DB04509 N-Methylnaloxonium small molecule experimental 342.4089 C20H24NO4 DB04510 3-phospho-D-glyceric acid small molecule experimental 820-11-1 186.0572 C3H7O7P DB04511 N-Succinyl Methionine small molecule experimental 249.284 C9H15NO5S DB04512 2-Isobutyl-3-methoxypyrazine small molecule experimental 24683-00-9 166.2203 C9H14N2O DB04513 N-(6-Aminohexyl)-5-Chloro-1-Naphthalenesulfonamide small molecule experimental 340.868 C16H21ClN2O2S DB04514 Uridylyl-2'-5'-phospho-guanosine small molecule experimental 589.4067 C19H24N7O13P DB04515 2-O-methyl-alpha-L-fucopyranose small molecule experimental 1887228-22-9 178.1831 C7H14O5 DB04516 2-Deoxy-Glucitol-6-Phosphate small molecule experimental 246.1523 C6H15O8P DB04517 Dipyrromethane Cofactor small molecule experimental 420.4132 C20H24N2O8 DB04518 3-[4-(2,4-Dimethyl-Thiazol-5-Yl)-Pyrimidin-2-Ylamino]-Phenol small molecule experimental 298.363 C15H14N4OS DB04520 (3s,8ar)-3-(4-Hydroxybenzyl)Hexahydropyrrolo[1,2-a]Pyrazine-1,4-Dione small molecule experimental 260.2884 C14H16N2O3 DB04521 4-S-Glutathionyl-5-pentyl-tetrahydro-furan-2-ol small molecule experimental 463.546 C19H33N3O8S DB04522 Dexfosfoserine small molecule experimental 407-41-0 185.0725 C3H8NO6P DB04523 Tert-Butyl(1s)-1-Cyclohexyl-2-Oxoethylcarbamate small molecule experimental 241.3266 C13H23NO3 DB04524 Malonyl-CoA small molecule experimental 524-14-1 853.58 C24H38N7O19P3S DB04525 N-(3-Carboxypropanoyl)-L-phenylalanyl-3-carboxy-O-(carboxymethyl)-N-pentyl-L-tyrosinamide small molecule experimental 599.6289 C30H37N3O10 DB04526 L-Glycero-D-Manno-Heptopyranose small molecule experimental 210.1819 C7H14O7 DB04527 beta-Hydroxyasparagine small molecule experimental 20790-72-1 148.1173 C4H8N2O4 DB04528 2,4-Dinitrophenol small molecule experimental 51-28-5 184.1064 C6H4N2O5 DB04529 Desvancosaminyl vancomycin small molecule experimental 101485-50-1 1306.08 C59H62Cl2N8O22 DB04530 S,S-(2-Hydroxyethyl)Thiocysteine small molecule experimental 197.276 C5H11NO3S2 DB04531 S-Benzylcysteine small molecule experimental 3054-01-1 211.281 C10H13NO2S DB04532 Indole small molecule experimental 120-72-9 117.1479 C8H7N DB04533 2-Amino-4-methylphenol small molecule experimental 95-84-1 123.1525 C7H9NO DB04534 5-Nitroindazole small molecule experimental 5401-94-5 163.1335 C7H5N3O2 DB04537 Tryptophanamide small molecule experimental 20696-57-5 203.2404 C11H13N3O DB04538 threo-3-methyl-L-aspartic acid small molecule experimental 6061-13-8 147.1293 C5H9NO4 DB04539 Glyphosate small molecule experimental 1071-83-6 170.081 C3H9NO5P DB04541 Cyclo(prolylglycyl) small molecule experimental 97011-16-0 154.1665 C7H10N2O2 DB04542 Zidovudine diphosphate small molecule experimental 106060-89-3 427.2011 C10H15N5O10P2 DB04543 2,6-Diamino-8-(1h-Imidazol-2-Ylsulfanylmethyl)-3h-Quinazoline-4-One small molecule experimental 288.328 C12H12N6OS DB04544 1-Deoxy-1-acetylamino-beta-D-gluco-2-heptulopyranosonamide small molecule experimental 264.2325 C9H16N2O7 DB04545 Afegostat small molecule experimental 169105-89-9 147.1723 C6H13NO3 DB04546 3-Deazaadenosine small molecule experimental 6736-58-9 266.2533 C11H14N4O4 DB04547 Inhibitor BEA409 small molecule experimental 778.977 C40H50N4O8S2 DB04548 4-Deoxy-D-Glucuronic Acid small molecule experimental 178.14 C6H10O6 DB04549 4-(Aminosulfonyl)-N-[(2,3,4-Trifluorophenyl)Methyl]-Benzamide small molecule experimental 344.309 C14H11F3N2O3S DB04551 beta-D-fructofuranose 1,6-bisphosphate small molecule experimental 340.1157 C6H14O12P2 DB04552 Niflumic acid small molecule experimental 4394-00-7 282.218 C13H9F3N2O2 DB04553 2-Oxobutanoic Acid small molecule experimental 600-18-0 102.0886 C4H6O3 DB04554 8-Bromoadenosine-5'-Diphosphate small molecule experimental 506.097 C10H14BrN5O10P2 DB04555 Cytidine-5'-Diphosphate small molecule experimental 63-38-7 403.1764 C9H15N3O11P2 DB04556 NAP-226-90 small molecule experimental 139306-10-8 165.2322 C10H15NO DB04557 Arachidonic Acid small molecule experimental 506-32-1 304.4669 C20H32O2 DB04559 N-(Chlorophenyl)-N'-hydroxyguanidine small molecule experimental 130974-86-6 185.611 C7H8ClN3O DB04560 4,7-Dioxosebacic Acid small molecule experimental 230.2146 C10H14O6 DB04561 4-acetamido-2,4-didexoy-D-glycero-beta-D-galacto-octopyranosylphosphonic acid small molecule experimental 329.2409 C10H20NO9P DB04562 Tricarballylic acid small molecule experimental 99-14-9 176.1241 C6H8O6 DB04563 CRA_9678 small molecule experimental 387.207 C17H13BrN3O3 DB04564 Gluconolactone small molecule approved 90-80-2 178.14 C6H10O6 DB04565 4-(Acetylamino)-3-[(Hydroxyacetyl)Amino]Benzoic Acid small molecule experimental 252.2234 C11H12N2O5 DB04566 Inosinic Acid small molecule experimental 131-99-7 348.206 C10H13N4O8P DB04567 Chromophore (Gly-Tyr-Gly) small molecule experimental 319.3126 C15H17N3O5 DB04568 5-Aminoimidazole Ribonucleoside small molecule experimental 215.2065 C8H13N3O4 DB04569 Benzyl formate small molecule experimental 104-57-4 136.1479 C8H8O2 DB04576 Fleroxacin small molecule experimental 79660-72-3 369.344 C17H18F3N3O3 DB04577 1-(1-phenylcyclopentyl)methylamine small molecule experimental 17511-89-6 175.2701 C12H17N DB04578 (S)-2-[(R)-3-amino-4-(2-fluorophenyl)butyryl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide small molecule experimental 355.406 C20H22FN3O2 DB04579 N-{[(2S,3S)-3-(Ethoxycarbonyl)-2-oxiranyl]carbonyl}-L-threonyl-L-isoleucine small molecule experimental 374.3862 C16H26N2O8 DB04580 1-Methyl-2-quinolone small molecule experimental 606-43-9 159.1846 C10H9NO DB04581 1-benzylimidazole small molecule experimental 4238-71-5 158.1998 C10H10N2 DB04582 Imazaquin small molecule experimental 311.3352 C17H17N3O3 DB04583 5-Carbamoyl-1,1':4',1''-terphenyl-3-carboxylic acid small molecule experimental 317.338 C20H15NO3 DB04584 Phenyldehydroalanine small molecule experimental 7060-39-1 163.1733 C9H9NO2 DB04585 DEHYDRO-2(S)-AMINO-6-BORONOHEXANOIC ACID small molecule experimental 189.982 C6H13BNO5 DB04586 o-Bromophenol small molecule experimental 95-56-7 173.007 C6H5BrO DB04587 2'-O-butyl-5-methyluridine small molecule experimental 394.3142 C14H23N2O9P DB04588 N-[4-(AMINOSULFONYL)BENZYL]-5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-1H-PYRAZOLE-4-CARBOXAMIDE small molecule experimental 422.843 C17H15ClN4O5S DB04590 (2R)-({4-[AMINO(IMINO)METHYL]PHENYL}AMINO){5-ETHOXY-2-FLUORO-3-[(3R)-TETRAHYDROFURAN-3-YLOXY]PHENYL}ACETICACID small molecule experimental 417.4308 C21H24FN3O5 DB04591 N-{2,2-DIFLUORO-2-[(2R)-PIPERIDIN-2-YL]ETHYL}-2-[2-(1H-1,2,4-TRIAZOL-1-YL)BENZYL][1,3]OXAZOLO[4,5-C]PYRIDIN-4-AMINE small molecule experimental 439.4611 C22H23F2N7O DB04592 3-Bromo-3-buten-1-ol small molecule experimental 76334-36-6 151.002 C4H7BrO DB04593 3-({1-[3-CARBAMIMIDOYL-1-(4-CARBAMIMIDOYL-BENZYLCARBAMOYL)-PROPYLCARBAMOYL]-2-METHYL-BUTYLSULFAMOYL}-METHYL)-BENZOIC ACID small molecule experimental 587.691 C27H37N7O6S DB04594 3-hydroxyglutaric acid small molecule experimental 638-18-6 148.114 C5H8O5 DB04595 (E)-(4S,6S)-8-METHYL-6-((S)-3-METHYL-2-{(S)-2-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-PROPIONYLAMINO}-BUTYRYLAMINO)-5-OXO-4-((R)-2-OXO-PYRROLIDIN-3-YLMETHYL)-NON-2-ENOIC ACID BENZYL ESTER small molecule experimental 680.791 C35H48N6O8 DB04596 4-O-{4,6-O-[(1S)-1-Carboxyethylidene]-ฆย-D-mannopyranosyl}-D-glucopyranuronic acid small molecule experimental 426.3268 C15H22O14 DB04597 [4,6-O-(1-CARBOXYETHYLIDENE)-BETA-D-MANNOSE] small molecule experimental 250.2027 C9H14O8 DB04598 2-AMINO-4-CHLORO-3-HYDROXYBENZOIC ACID small molecule experimental 187.58 C7H6ClNO3 DB04599 Aniracetam small molecule experimental 72432-10-1 219.2365 C12H13NO3 DB04600 4-[(3-BROMO-4-O-SULFAMOYLBENZYL)(4-CYANOPHENYL)AMINO]-4H-[1,2,4]-TRIAZOLE small molecule experimental 449.282 C16H13BrN6O3S DB04601 4-[(4-O-SULFAMOYLBENZYL)(4-CYANOPHENYL)AMINO]-4H-[1,2,4]-TRIAZOLE small molecule experimental 370.386 C16H14N6O3S DB04602 PUROMYCIN AMINONUCLEOSIDE-5'-MONOPHOSPHATE small molecule experimental 374.2896 C12H19N6O6P DB04603 5-Formyl-2'-deoxy-cytidine-5'-monophosphate small molecule experimental 335.2072 C10H14N3O8P DB04604 5-iodotubercidin small molecule experimental 24386-93-4 392.1498 C11H13IN4O4 DB04605 5-Aminoisoquinoline small molecule experimental 1125-60-6 144.1732 C9H8N2 DB04606 2-[2-ETHANESULFONYLAMINO-3-(5-PROPOXY-1H-INDOL-3-YL)-PROPIONYLAMINO]-PENTANEDIOIC ACID 5-AMIDE 1-(4-CARBAMIMIDOYL-BENZYLAMIDE) small molecule experimental 613.728 C29H39N7O6S DB04607 PHENYLAMINOIMIDAZO(1,2-ALPHA)PYRIDINE small molecule experimental 461.321 C20H14Cl2N4O3S DB04608 9-HYDROXY-4-PHENYL-6H-PYRROLO[3,4-C]CARBAZOLE-1,3-DIONE small molecule experimental 328.3209 C20H12N2O3 DB04609 INHIBITOR Q8467 OF DUPONT MERCK small molecule experimental 596.739 C34H36N4O4S DB04610 7,8-dihydro-6-hydroxymethyl-7-methyl-7-[2-phenylethyl]-pterin small molecule experimental 313.3544 C16H19N5O2 DB04612 N-METHYLALANYL-3-METHYLVALYL-4-PHENOXY-N-(1,2,3,4-TETRAHYDRONAPHTHALEN-1-YL)PROLINAMIDE small molecule experimental 534.6896 C31H42N4O4 DB04613 (E)-(4S,6S)-6-((S)-2-{(S)-2-[(FURAN-2-CARBONYL)-AMINO]-3-METHYL-BUTYRYLAMINO}-3-METHYL-BUTYRYLAMINO)-8-METHYL-5-OXO-4-((R)-2-OXO-PYRROLIDIN-3-YLMETHYL)-NON-2-ENOIC ACID ETHYL ESTER small molecule experimental 631.7602 C32H49N5O8 DB04614 (R)-tacrine(10)-hupyridone small molecule experimental 500.718 C32H44N4O DB04615 (S)-tacrine(10)-hupyridone small molecule experimental 500.718 C32H44N4O DB04616 TACRINE(8)-4-AMINOQUINOLINE small molecule experimental 452.6336 C30H36N4 DB04617 (9S)-9-[(8-AMMONIOOCTYL)AMINO]-1,2,3,4,9,10-HEXAHYDROACRIDINIUM small molecule experimental 327.5068 C21H33N3 DB04618 4,6-DIDEOXY-4-{[4-[(4-O-HEXOPYRANOSYLHEXOPYRANOSYL)OXY]-5,6-DIHYDROXY-3-(HYDROXYMETHYL)CYCLOHEX-2-EN-1-YL]AMINO}HEXOPYRANOSYL-(1->4)HEXOPYRANOSYL-(1->4)HEXOPYRANOSE small molecule experimental 969.886 C37H63NO28 DB04619 Acetophenone small molecule experimental 98-86-2 120.1485 C8H8O DB04620 Cycloleucine small molecule experimental 52-52-8 129.157 C6H11NO2 DB04622 N-acetylhistamine small molecule experimental 673-49-4 153.1817 C7H11N3O DB04623 2-ETHOXYETHYL (2S,3S)-4-((S)-2-BENZYL-3-OXO-4-((3AR,8R,8AS)-2-OXO-3,3A,8,8A-TETRAHYDRO-2H-INDENO[1,2-D]OXAZOL-8-YL)-2,3-DIHYDRO-1H-PYRROL-2-YL)-3-HYDROXY-1-PHENYLBUTAN-2-YLCARBAMATE small molecule experimental 625.7108 C36H39N3O7 DB04624 DERIVATIVE OF AKLANONIC ACID METHYL ESTER (AAME) small molecule experimental 414.4053 C22H22O8 DB04626 Apramycin small molecule experimental 37321-09-8 539.5771 C21H41N5O11 DB04627 Cyclouridine small molecule experimental 3736-77-4 226.1861 C9H10N2O5 DB04628 Allosamidin small molecule experimental 103782-08-7 622.6194 C25H42N4O14 DB04629 Aplyronine A small molecule experimental 1076.4449 C59H101N3O14 DB04630 Aldosterone small molecule experimental 52-39-1 360.444 C21H28O5 DB04631 Atpenin A5 small molecule experimental 119509-24-9 366.237 C15H21Cl2NO5 DB04632 4-(2-HYDROXYBENZYLAMINO)-N-(3-(4-FLUOROPHENOXY)PHENYL)PIPERIDINE-1-SULFONAMIDE small molecule experimental 471.544 C24H26FN3O4S DB04633 N-ethyl-N-[3-(propylamino)propyl]propane-1,3-diamine small molecule experimental 201.3522 C11H27N3 DB04634 N-BENZYLOXYCARBONYL-L-SERINE-BETALACTONE small molecule experimental 223.2252 C11H13NO4 DB04636 Glutamine t-butyl ester small molecule experimental 202.2508 C9H18N2O3 DB04637 6-Bromo-1-hexanol small molecule experimental 4286-55-9 181.071 C6H13BrO DB04638 2,5-di-tert-butylhydroquinone small molecule experimental 88-58-4 222.3233 C14H22O2 DB04639 Biphenylalanine small molecule experimental 241.2851 C15H15NO2 DB04640 Naphthalene-2,6-disulfonic acid small molecule experimental 581-75-9 288.297 C10H8O6S2 DB04641 3,7-DIHYDROXYNAPHTHALENE-2-CARBOXYLIC ACID small molecule experimental 204.1788 C11H8O4 DB04642 7-{2,6-DICHLORO-4-[3-(2-CHLORO-BENZOYL)-UREIDO]-PHENOXY}-HEPTANOIC ACID small molecule experimental 487.761 C21H21Cl3N2O5 DB04643 4-{3-CHLORO-4-[3-(2,4-DICHLORO-BENZOYL)-UREIDO]-PHENOXY}-BUTYRIC ACID small molecule experimental 445.681 C18H15Cl3N2O5 DB04644 4-{4-[3-(2,4-DICHLORO-BENZOYL)-UREIDO]-2,3-DIMETHYL-PHENOXY}-BUTYRIC ACID small molecule experimental 439.289 C20H20Cl2N2O5 DB04645 5-{3-[3-(2,4-DICHLORO-BENZOYL)-UREIDO]-2-METHYL-PHENOXY}-PENTANOIC ACID small molecule experimental 439.289 C20H20Cl2N2O5 DB04646 Dibromothymoquinone small molecule experimental 29096-93-3 321.993 C10H10Br2O2 DB04647 BOC-GAMMA-D-GLU-L-LYS(CBZ)-D-BOROALA small molecule experimental 580.436 C26H41BN4O10 DB04648 S-propylamine-L-cysteine small molecule experimental 164.269 C6H16N2OS DB04649 TETRAHEDRAL INTERMEDIATE OF BLASTICIDIN S small molecule experimental 440.4542 C17H28N8O6 DB04650 5-[(3AS,4R,6AR)-2-OXOHEXAHYDRO-1H-THIENO[3,4-D]IMIDAZOL-4-YL]PENTANOIC ACID small molecule experimental 244.311 C10H16N2O3S DB04651 BIOTINOL-5-AMP small molecule experimental 559.533 C20H30N7O8PS DB04652 Corticosterone small molecule experimental 50-22-6 346.4605 C21H30O4 DB04653 N-[(benzyloxy)carbonyl]-L-leucyl-N-[(1S)-3-fluoro-1-(4-hydroxybenzyl)-2-oxopropyl]-L-leucinamide small molecule experimental 133410-84-1 557.6535 C30H40FN3O6 DB04654 4-PIPERIDIN-4-YLBUTANAL small molecule experimental 155.2374 C9H17NO DB04655 Metoprine small molecule experimental 7761-45-7 269.13 C11H10Cl2N4 DB04656 1,3,4-TRIHYDROXY-5-(3-PHENOXYPROPYL)-CYCLOHEXANE-1-CARBOXYLIC A CID small molecule experimental 310.3423 C16H22O6 DB04657 Carboxin small molecule approved 5234-68-4 235.302 C12H13NO2S DB04658 (1S,2R,3S,4R,5S)-8-AZABICYCLO[3.2.1]OCTANE-1,2,3,4-TETROL small molecule experimental 175.1824 C7H13NO4 DB04659 (1S,2S,3R,4S,5S)-2,3,4-TRIHYDROXY-5-(HYDROXYMETHYL)CYCLOHEXYL (1E)-2-PHENYL-N-(SULFOOXY)ETHANIMIDOTHIOATE small molecule experimental 407.459 C15H21NO8S2 DB04660 Choline alfoscerate small molecule experimental 28319-77-9 257.223 C8H20NO6P DB04661 cis-tetracosenoyl sulfatide small molecule experimental 151057-28-2 890.301 C48H91NO11S DB04662 OLOMOUCINE II small molecule experimental 370.4487 C19H26N6O2 DB04663 2-KETO-6-PHOSPHATE-D-GLUCONIC ACID, ALPHA-FURANOSE FORM small molecule experimental 274.1193 C6H11O10P DB04664 Cyclohexyl-pentyl-maltoside small molecule experimental 250692-65-0 494.573 C23H42O11 DB04665 Coumarin small molecule experimental 91-64-5 146.1427 C9H6O2 DB04666 CHROMOPHORE (LYS-TYR-GLY) small molecule experimental 346.381 C17H22N4O4 DB04667 CHROMOPHORE (HIS-TYR-GLY) small molecule experimental 354.34 C17H16N5O4 DB04668 CHROMOPHORE (GLU-TYR-GLY) small molecule experimental 345.3068 C16H15N3O6 DB04669 TRIAZOLOPYRIMIDINE small molecule experimental 382.237 C17H14BrN6 DB04671 [(1S)-4-[[Amino-[(2R)-2-amino-2-carboxyethyl]sulfanylmethylidene]amino]-1-carboxybutyl]azanium small molecule experimental 279.337 C9H19N4O4S DB04672 Cyclic 3',5'-thymidine monophosphate small molecule experimental 6453-60-7 304.1932 C10H13N2O7P DB04673 4-[(5-CHLOROINDOL-2-YL)SULFONYL]-2-(2-METHYLPROPYL)-1-[[5-(PYRIDIN-4-YL)PYRIMIDIN-2-YL]CARBONYL]PIPERAZINE small molecule experimental 539.049 C26H27ClN6O3S DB04674 2-HYDROXY-3,5-DIIODOBENZOIC ACID small molecule experimental 389.9138 C7H4I2O3 DB04676 Dansyllysine small molecule experimental 1101-84-4 379.474 C18H25N3O4S DB04677 N-METHYL-N-[(1R)-1-METHYL-2-PHENYLETHYL]PROP-2-EN-1-AMINE small molecule experimental 189.2967 C13H19N DB04678 H TYPE II TRISACCHARIDE small molecule experimental 529.4896 C20H35NO15 DB04679 Human blood group H type 1 trisaccharide small molecule experimental 529.4896 C20H35NO15 DB04680 GALACTOSE GREASE small molecule experimental 350.4046 C16H30O8 DB04681 BETA-METHYLLACTOSIDE small molecule experimental 356.3231 C13H24O11 DB04682 Octylphenoxy polyethoxyethanol small molecule experimental 9036-19-5 1527.9007 C74H142O31 DB04683 (2R)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(9E)-HEXADEC-9-ENOYLOXY]PROPYL (9E)-OCTADEC-9-ENOATE small molecule experimental 746.9913 C40H75O10P DB04684 Bis(6-aminohexyl)amine small molecule experimental 143-23-7 215.3788 C12H29N3 DB04685 1-{(2S,5S)-4-FLUORO-5-[(TRITYLOXY)METHYL]TETRAHYDROFURAN-2-YL}PYRIMIDINE-2,4(1H,3H)-DIONE small molecule experimental 472.5075 C28H25FN2O4 DB04686 CHROMOPHORE (ASP-TYR-GLY) small molecule experimental 333.2961 C15H15N3O6 DB04687 DIMETHYL THIOPHOSPHATE small molecule experimental 142.114 C2H7O3PS DB04688 Methylecgonine small molecule experimental 7143-09-1 199.2469 C10H17NO3 DB04689 2-{5-[3-(6-BENZOYL-1-PROPYLNAPHTHALEN-2-YLOXY)PROPOXY]INDOL-1-YL}ETHANOIC ACID small molecule experimental 521.6029 C33H31NO5 DB04690 Camptothecin small molecule experimental 7689-03-4 348.352 C20H16N2O4 DB04691 2'-O-[1-ethyl-1H-imidazol)] thymidine-5'-monophosphate small molecule experimental 432.3224 C15H21N4O9P DB04692 Ethyl (2E)-4-({(2S)-2-[(N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-valyl)amino]-2-phenylacetyl}amino)-5-[(3S)-2-oxo-3-pyrrolidinyl]-2-pentenoate small molecule experimental 558.6664 C29H42N4O7 DB04693 Estrane-3,17-dione small molecule experimental 5696-58-2 274.3978 C18H26O2 DB04694 2,6-anhydro-3-deoxy-3-fluoronononic acid small molecule experimental 286.2084 C9H15FO9 DB04695 Farnesyl thiopyrophosphate small molecule experimental 398.392 C15H28O6P2S DB04696 4-CHLORO-3',3''-DIBROMOPHENOL-1,8-NAPHTHALEIN small molecule experimental 560.619 C24H13Br2ClO4 DB04697 TRANS-4-(GUANIDINOMETHYL)-CYCLOHEXANE-L-YL-D-3-CYCLOHEXYLALANYL-L-AZETIDINE-2-YL-D-TYROSINYL-L-HOMOARGININAMIDE small molecule experimental 767.961 C38H61N11O6 DB04698 N-(1,4-dihydro-5H-tetrazol-5-ylidene)-9-oxo-9H-xanthene-2-sulfonamide small molecule experimental 353522-10-8 343.317 C14H9N5O4S DB04699 gamma-butyrolactone small molecule experimental 96-48-0 86.0892 C4H6O2 DB04700 GLUTATHIONE SULFINATE small molecule experimental 339.322 C10H17N3O8S DB04701 S-Methyl glutathione small molecule experimental 2922-56-7 321.35 C11H19N3O6S DB04702 S-[(2E)-3,7-DIMETHYLOCTA-2,6-DIENYL] TRIHYDROGENTHIODIPHOSPHATE small molecule experimental 330.275 C10H20O6P2S DB04704 20-hydroxycholesterol small molecule experimental 516-72-3 402.6529 C27H46O2 DB04705 25-Hydroxycholesterol small molecule experimental 2140-46-7 402.6529 C27H46O2 DB04706 7beta-hydroxycholesterol small molecule experimental 566-27-8 402.6529 C27H46O2 DB04707 Hydroxyfasudil small molecule experimental 105628-72-6 307.368 C14H17N3O3S DB04708 (S)-TETRAHYDROFURAN-3-YL (2S,3S)-4-((S)-4-((1R,3R)-3-(2-AMINO-2-OXOETHYL)-2,3-DIHYDRO-1H-INDEN-1-YL)-2-BENZYL-3-OXO-2,3-DIHYDRO-1H-PYRROL-2-YL)-3-HYDROXY-1-PHENYLBUTAN-2-YLCARBAMATE small molecule experimental 623.7379 C37H41N3O6 DB04709 (3AALPHA,4ALPHA,7ALPHA,7AALPHA)- 3A,4,7,7A-TETRAHYDRO-2-(4-NITRO-1-NAPHTHALENYL)-4,7-ETHANO-1H-ISOINDOLE-1,3(2H)-DIONE small molecule experimental 350.3679 C20H18N2O4 DB04710 (E)-(S)-4-[(S)-4-METHYL-2-((S)-3-METHYL-2{(S)-2-[(5-METHYL-ISOXAZOLE-3- CARBONYL)-AMINO]-PROPIONYLAMINO}-BUTYRYLAMINO)-PENTANOYLAMINO]-5-((S)-2- OXO-PYRROLIDIN-3-YL)-PENT-2-ENOIC ACID ETHYL ESTER small molecule experimental 618.7216 C30H46N6O8 DB04712 ANILINOMETHYL GLUCO-PHENYLIMIDAZOLE small molecule experimental 305.3291 C15H19N3O4 DB04713 4-Iodo-D-phenylalanine small molecule experimental 62561-75-5 291.0857 C9H10INO2 DB04714 ISOPENTENYL PYROPHOSPHATE small molecule experimental 246.0921 C5H12O7P2 DB04715 IMIDAZOPYRIDAZIN 1 small molecule experimental 306.3617 C18H18N4O DB04716 2-tert-butyl-9-fluoro-1,6-dihydrobenzo[h]imidazo[4,5-f]isoquinolin-7-one small molecule experimental 457081-03-7 309.3375 C18H16FN3O DB04717 2''-O-[N-(3-(aminopropyl)2-aminoethyl]paromomycin small molecule experimental 715.7907 C28H57N7O14 DB04718 (1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-2-O-{2-[(piperidin-3-ylmethyl)amino]ethyl}-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxy-alpha-D-glucopyranoside small molecule experimental 755.8545 C31H61N7O14 DB04719 DIMETHYL-(4,5,6,7-TETRABROMO-1H-BENZOIMIDAZOL-2-YL)-AMINE small molecule experimental 476.788 C9H7Br4N3 DB04720 S-METHYL-4,5,6,7-TETRABROMO-BENZIMIDAZOLE small molecule experimental 479.812 C8H4Br4N2S DB04721 N1,N2-ETHYLENE-2-METHYLAMINO-4,5,6,7-TETRABROMO-BENZIMIDAZOLE small molecule experimental 488.799 C10H7Br4N3 DB04722 2-[3-chloro-6-[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]imino-1-hydroxypyridin-2-yl]-N-[(1R)-1-(3-chlorophenyl)ethyl]acetamide small molecule experimental 497.32 C22H20Cl2F2N4O3 DB04723 2-(3-GUANIDINOPHENYL)-3-MERCAPTOPROPANOIC ACID small molecule experimental 239.294 C10H13N3O2S DB04724 (S)-2-((S)-3-isobutyl-2,5-dioxo-4-quinolin-3-ylmethyl-[1,4]diazepan-1yl)-N-methyl-3-naphtalen-2-yl-propionamide small molecule experimental 536.6639 C33H36N4O3 DB04726 Lumiflavin small molecule experimental 1088-56-8 256.26 C13H12N4O2 DB04727 1-{4-[4-Amino-6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-5-yl]phenyl}-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea small molecule experimental 537.4651 C27H19F4N5O3 DB04728 Lividomycin A small molecule experimental 36441-41-5 761.7697 C29H55N5O18 DB04729 Gentamicin C1a small molecule experimental 26098-04-4 449.5423 C19H39N5O7 DB04731 1-ACETYL-2-LYSO-SN-GLYCERO-3-PHOSPHOETHANOLAMINE small molecule experimental 258.1861 C7H17NO7P DB04732 N-(4-MORPHOLINE)CARBONYL-B-(1-NAPHTHYL)-L-ALANINE-L-LEUCINE BORONIC ACID small molecule experimental 441.328 C23H32BN3O5 DB04733 1,6-DI-O-PHOSPHONO-D-MANNITOL small molecule experimental 342.1316 C6H16O12P2 DB04734 Citraconic acid small molecule experimental 498-23-7 130.0987 C5H6O4 DB04735 MONOGALACTOSYL-DIACYLGLYCEROL small molecule experimental 688.9723 C38H72O10 DB04736 2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE(BETA1-4)-2-ACETAMIDO-1,6-ANHYDRO-3-O-[(R)-1-CARBOXYETHYL]-2-DEOXY-BETA-D-GLUCOPYRANOSE-L-ALANYL-GAMMA-D-GLUTAMYL-MESO-DIAMINOPIMELYL-D-ALANINE small molecule experimental 921.8993 C37H59N7O20 DB04737 (S)-mandelonitrile small molecule experimental 28549-12-4 133.1473 C8H7NO DB04738 Motuporin small molecule experimental 141672-08-4 767.921 C40H57N5O10 DB04739 4-[(4-METHYL-1-PIPERAZINYL)METHYL]-N-[3-[[4-(3-PYRIDINYL)-2-PYRIMIDINYL]AMINO]PHENYL]-BENZAMIDE small molecule experimental 479.5762 C28H29N7O DB04740 Moxalactam (hydrolyzed) small molecule experimental 422.346 C18H18N2O10 DB04741 Myxothiazol small molecule experimental 76706-55-3 487.678 C25H33N3O3S2 DB04742 (2R)-2-{(1R)-2-oxo-1-[(2-thienylacetyl)amino]ethyl}-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid small molecule experimental 326.391 C13H14N2O4S2 DB04744 Lawsone small molecule experimental 83-72-7 174.1528 C10H6O3 DB04745 2-Hydroxyquinoline small molecule experimental 59-31-4 145.158 C9H7NO DB04746 (10E,12Z)-octadecadienoic acid small molecule experimental 2420-56-6 280.4455 C18H32O2 DB04747 11-TRANS-13-TRANS-15-CIS-OCTADECATRIENOIC ACID small molecule experimental 278.4296 C18H30O2 DB04748 OXIMINOARYLSULFONAMIDE small molecule experimental 698.896 C34H46N6O6S2 DB04749 2-(3-OXO-PROPYLSULFANYLCARBONYL)-ETHANETHIOLATE small molecule experimental 177.264 C6H9O2S2 DB04750 OREGON GREEN 488 CARBOXYLATE small molecule experimental 412.2967 C21H10F2O7 DB04751 Purvalanol A small molecule experimental 212844-53-6 388.894 C19H25ClN6O DB04752 Phosphatidyl ethanol small molecule experimental 716.9653 C39H73O9P DB04753 9-DEAZAINOSINE-2',3'-O-ETHYLIDENEPHOSPHONATE small molecule experimental 373.2552 C13H16N3O8P DB04754 GUANOSINE-2',3'-O-ETHYLIDENEPHOSPHONATE small molecule experimental 389.2579 C12H16N5O8P DB04755 PROPYL-1-PHOSPHATE small molecule experimental 137.0511 C3H6O4P DB04756 2-[(3,5-Dichloro-4-trioxidanylphenyl)amino]benzoic acid small molecule experimental 330.12 C13H9Cl2NO5 DB04757 GUANOSINE-2',3'-O-METHYLIDENEPHOSPHONATE small molecule experimental 375.2313 C11H14N5O8P DB04758 2-[2-ETHANESULFONYLAMINO-3-(1H-INDOL-3-YL)-PROPIONYLAMINO]-PENTANEDIOIC ACID 5-AMIDE 1-(4-CARBAMIM IDOYL-BENZYLAMIDE) small molecule experimental 555.649 C26H33N7O5S DB04759 PYRIMIDINE-4,6-DICARBOXYLIC ACID BIS-(3-METHYL-BENZYLAMIDE) small molecule experimental 374.4357 C22H22N4O2 DB04760 PYRIMIDINE-4,6-DICARBOXYLIC ACID BIS-(4-FLUORO-3-METHYL-BENZYLAMIDE) small molecule experimental 410.4166 C22H20F2N4O2 DB04761 PYRIMIDINE-4,6-DICARBOXYLIC ACID BIS-[(PYRIDIN-3-YLMETHYL)-AMIDE] small molecule experimental 348.3586 C18H16N6O2 DB04762 N-PYRIDOXYL-D-GLUTAMIC ACID-5'-MONOPHOSPHATE small molecule experimental 378.2717 C13H19N2O9P DB04763 1-N-(4-SULFAMOYLPHENYL-ETHYL)-2,4,6-TRIMETHYLPYRIDINIUM small molecule experimental 305.415 C16H21N2O2S DB04764 [4-(3-AMINOMETHYL-PHENYL)-PIPERIDIN-1-YL]-(5-PHENETHYL- PYRIDIN-3-YL)-METHANONE small molecule experimental 399.528 C26H29N3O DB04765 N-PYRIDOXYL-2-METHYL-L-GLUTAMIC ACID-5'-MONOPHOSPHATE small molecule experimental 392.2983 C14H21N2O9P DB04767 N-[1-(4-CARBAMIMIDOYL-BENZYLCARBAMOYL)-3-METHYLSULFANYL-PROPYL]-3-HYDROXY-2-PROPOXYAMINO-BUTYRAMID small molecule experimental 487.637 C20H33N5O5S2 DB04768 Pyrithiamine Pyrophosphate small molecule experimental 419.2867 C14H21N4O7P2 DB04769 5-QUINOXALIN-6-YLMETHYLENE-THIAZOLIDINE-2,4-DIONE small molecule experimental 257.268 C12H7N3O2S DB04770 O6-(R)-ROSCOVITINE, R-2-(6-BENZYLOXY-9-ISOPROPYL-9H-PURIN-2-YLAMINO)-BUTAN-1-OL small molecule experimental 355.4341 C19H25N5O2 DB04771 1-GUANIDINO-4-(N-NITRO-BENZOYLAMINO-L-LEUCYL-L-PROLYLAMINO)BUTANE small molecule experimental 489.5679 C23H35N7O5 DB04772 1-GUANIDINO-4-(N-PHENYLMETHANESULFONYL-L-LEUCYL-L-PROLYLAMINO)BUTANE small molecule experimental 494.651 C23H38N6O4S DB04773 METHYL (3R)-3-{[(3R)-3-{[(3R)-3-HYDROXYBUTANOYL]OXY}BUTANOYL]OXY}BUTANOATE small molecule experimental 290.3096 C13H22O7 DB04774 Reidispongiolide A small molecule experimental 958.2675 C54H87NO13 DB04775 Reidispongiolide C small molecule experimental 933.215 C52H84O14 DB04776 (2R)-2-({6-[benzyl(methyl)amino]-9-isopropyl-9H-purin-2-yl}amino)butan-1-ol small molecule experimental 368.4759 C20H28N6O DB04777 (R)-4-Nitrostyrene oxide small molecule experimental 78038-43-4 165.1461 C8H7NO3 DB04778 SC45647 small molecule experimental 330.4246 C18H26N4O2 DB04779 ETHYL (1E)-2-PHENYL-N-(SULFOOXY)ETHANIMIDOTHIOATE small molecule experimental 275.345 C10H13NO4S2 DB04780 Sulfatide small molecule experimental 908.317 C48H93NO12S DB04781 5-hydroxyvaleric acid small molecule experimental 13392-69-3 118.1311 C5H10O3 DB04782 (S)-4-Nitrostyrene oxide small molecule experimental 78038-42-3 165.1461 C8H7NO3 DB04783 Sphinxolide B small molecule experimental 960.2403 C53H85NO14 DB04784 (R)-1-phenylethanol small molecule experimental 1517-69-7 122.1644 C8H10O DB04785 Streptolydigin small molecule experimental 7229-50-7 600.6998 C32H44N2O9 DB04788 Tagetitoxin small molecule experimental 87913-21-1 416.298 C11H17N2O11PS DB04790 2,5-bis-O-{3-[amino(imino)methyl]phenyl}-1,4:3,6-dianhydro-D-glucitol small molecule experimental 382.4131 C20H22N4O4 DB04791 2-O-(4'-AMIDINOPHENYL)-5-O-(3''-AMIDINOPHENYL)-1,4:3,6-DIANHYDRO-D-SORBITOL small molecule experimental 382.4131 C20H22N4O4 DB04792 2,5-O,O-BIS-{4',4''-AMIDINOPHENYL}-1,4:3,6-DIANHYDRO-D-SORBITOL small molecule experimental 382.4131 C20H22N4O4 DB04793 1,4:3,6-Dianhydro-2-O-(3-carbamimidoylphenyl)-5-O-(4-carbamimidoylphenyl)-D-glucitol small molecule experimental 382.4131 C20H22N4O4 DB04795 Thenoyltrifluoroacetone small molecule experimental 326-91-0 222.184 C8H5F3O2S DB04797 Triazolopyridine small molecule experimental 322.3363 C18H15FN4O DB04798 THIO-ATPA small molecule experimental 244.311 C10H16N2O3S DB04799 6-Hydroxy-5-undecyl-4,7-benzothiazoledione small molecule experimental 43152-58-5 335.461 C18H25NO3S DB04800 1-METHYL-3-PHENYL-1H-PYRAZOL-5-YLSULFAMIC ACID small molecule experimental 253.278 C10H11N3O3S DB04801 cis-Vaccenic acid small molecule experimental 506-17-2 282.4614 C18H34O2 DB04802 D-Erythro-2,3-diaminobutyric acid small molecule experimental 25023-78-3 118.1344 C4H10N2O2 DB04803 Verdoheme small molecule experimental 547.405 C30H27FeN4O3 DB04804 (2S)-2,3-Diaminobutanoic acid small molecule experimental 25023-80-7 118.1344 C4H10N2O2 DB04805 Virginiamycin S1 small molecule experimental 23152-29-6 823.904 C43H49N7O10 DB04806 (5-BROMO-4-CHLORO-3-INDOLYL)-A-D-MANNOSE small molecule experimental 408.629 C14H15BrClNO6 DB04807 4-NITROPHENYL-(6-S-ALPHA-D-XYLOPYRANOSYL)-BETA-D-GLUCOPYRANOSIDE small molecule experimental 449.43 C17H23NO11S DB04808 Neamine small molecule experimental 3947-65-7 322.358 C12H26N4O6 DB04809 SALOPHEN-10-PROPIONATE IRON CHELATE small molecule experimental 442.245 C23H18FeN2O4 DB04810 Salophen-10-carboxylate iron chelate small molecule experimental 414.192 C21H14FeN2O4 DB04811 Salophen iron chelate small molecule experimental 370.182 C20H14FeN2O2 DB04864 Huperzine A small molecule approved 102518-79-6 242.3162 C15H18N2O DB04877 Voacamine small molecule experimental 3371-85-5 704.8968 C43H52N4O5 DB04894 Vapreotide small molecule experimental 103222-11-3 1131.38 C57H70N12O9S2 DB00546 Adinazolam small molecule experimental 37115-32-5 351.833 C19H18ClN5 DB00587 Cinalukast small molecule experimental 128312-51-6 412.545 C23H28N2O3S DB00614 Furazolidone small molecule experimental 67-45-8 225.1583 C8H7N3O5 DB06255 Incadronic acid small molecule experimental 124351-85-5 287.189 C8H19NO6P2 DB06260 Aviptadil small molecule experimental 40077-57-4 3255.75 C145H232N40O43S DB06693 Mevastatin small molecule experimental 73573-88-3 390.52 C23H34O5 DB06696 Arbekacin small molecule experimental 51025-85-5 552.619 C22H44N6O10 DB06726 Bufuralol small molecule experimental 54340-62-4 261.3593 C16H23NO2 DB06727 Sparteine small molecule experimental 90-39-1 234.387 C15H26N2 DB06728 Aniline small molecule experimental 62-53-3 93.1265 C6H7N DB06732 beta-Naphthoflavone small molecule experimental 6051-87-2 272.2974 C19H12O2 DB06733 Bafilomycin A1 small molecule experimental 88899-55-2 622.84 C35H58O9 DB06734 Bafilomycin B1 small molecule experimental 88899-56-3 815.998 C44H65NO13 DB06737 Zaltoprofen small molecule experimental 74711-43-6 298.36 C17H14O3S DB06739 Seratrodast small molecule experimental 112665-43-7 354.446 C22H26O4 DB06740 BW-A 58C small molecule experimental 94015-46-0 312.409 C20H24O3 DB06801 Monoctanoin small molecule experimental 502-54-5 218.293 C11H22O4 DB06828 5-[2-(1H-pyrrol-1-yl)ethoxy]-1H-indole small molecule experimental 226.2738 C14H14N2O DB06829 4-BROMO-3-(CARBOXYMETHOXY)-5-[3-(CYCLOHEXYLAMINO)PHENYL]THIOPHENE-2-CARBOXYLIC ACID small molecule experimental 454.335 C19H20BrNO5S DB06830 (1-HYDROXYHEPTANE-1,1-DIYL)BIS(PHOSPHONIC ACID) small molecule experimental 276.1611 C7H18O7P2 DB06831 2-((9H-PURIN-6-YLTHIO)METHYL)-5-CHLORO-3-(2-METHOXYPHENYL)QUINAZOLIN-4(3H)-ONE small molecule experimental 450.901 C21H15ClN6O2S DB06833 1-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-1H-INDOL-3-YL]METHYL}METHANAMINE small molecule experimental 332.4818 C23H28N2 DB06834 N-(2-hydroxy-1,1-dimethylethyl)-1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indole-5-carboxamide small molecule experimental 362.425 C21H22N4O2 DB06835 (2S)-2-[3-(AMINOMETHYL)PHENYL]-3-{(S)-HYDROXY[(1R)-2-METHYL-1-{[(2-PHENYLETHYL)SULFONYL]AMINO}PROPYL]PHOSPHORYL}PROPANOIC ACID small molecule experimental 482.53 C22H31N2O6PS DB06836 N-(5-{4-Chloro-3-[(2-hydroxyethyl)sulfamoyl]phenyl}-4-methyl-1,3-thiazol-2-yl)acetamide small molecule experimental 593960-11-3 389.878 C14H16ClN3O4S2 DB06837 (2R)-N~4~-hydroxy-2-(3-hydroxybenzyl)-N~1~-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanediamide small molecule experimental 370.3991 C20H22N2O5 DB06838 methyl L-phenylalaninate small molecule experimental 2577-90-4 179.2157 C10H13NO2 DB06839 N-(ethoxycarbonyl)-L-leucine small molecule experimental 203.2356 C9H17NO4 DB06840 diethyl [(1R)-1,5-diaminopentyl]boronate small molecule experimental 202.102 C9H23BN2O2 DB06841 [(2R)-1-[(2S)-2-[[(2S,3S)-1-Chloro-6-(diaminomethylideneamino)-2-hydroxyhexan-3-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]azanium small molecule experimental 453.986 C21H34ClN6O3 DB06842 (4R)-4-(3-butoxy-4-methoxybenzyl)imidazolidin-2-one small molecule experimental 278.3468 C15H22N2O3 DB06843 2',5'-DIDEOXY-ADENOSINE 3'-MONOPHOSPHATE small molecule experimental 315.2224 C10H14N5O5P DB06844 4-[(7-OXO-7H-THIAZOLO[5,4-E]INDOL-8-YLMETHYL)-AMINO]-N-PYRIDIN-2-YL-BENZENESULFONAMIDE small molecule experimental 449.506 C21H15N5O3S2 DB06845 (S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclopentylamino)ethanoyl)pyrrolidine-2-carboxamide small molecule experimental 371.4766 C20H29N5O2 DB06847 5-[(3S)-3-(2-methoxybiphenyl-4-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine small molecule experimental 358.4363 C22H22N4O DB06848 1-(1'-{[3-(methylsulfanyl)-2-benzothiophen-1-yl]carbonyl}spiro[1-benzofuran-3,4'-piperidin]-5-yl)methanamine small molecule experimental 424.579 C23H24N2O2S2 DB06849 1-[1'-(3-phenylacryloyl)spiro[1-benzofuran-3,4'-piperidin]-5-yl]methanamine small molecule experimental 348.4382 C22H24N2O2 DB06850 (S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclohexylamino)ethanoyl)pyrrolidine-2-carboxamide small molecule experimental 385.5031 C21H31N5O2 DB06851 N-(pyridin-3-ylmethyl)aniline small molecule experimental 184.2371 C12H12N2 DB06852 CHIR-124 small molecule experimental 405168-58-3 419.907 C23H22ClN5O DB06853 N-cycloheptylglycyl-N-(4-carbamimidoylbenzyl)-L-prolinamide small molecule experimental 399.5297 C22H33N5O2 DB06855 6-fluoro-2-(2-hydroxy-3-isobutoxy-phenyl)-1H-benzoimidazole-5-carboxamidine small molecule experimental 342.3675 C18H19FN4O2 DB06856 6-FLUORO-2-[2-HYDROXY-3-(2-METHYL-CYCLOHEXYLOXY)-PHENYL]-1H-INDOLE-5-CARBOXAMIDINE small molecule experimental 381.4433 C22H24FN3O2 DB06857 N-(4-CARBAMIMIDOYL-3-CHORO-PHENYL)-2-HYDROXY-3-IODO-5-METHYL-BENZAMIDE small molecule experimental 429.64 C15H13ClIN3O2 DB06858 N-cyclooctylglycyl-N-(4-carbamimidoylbenzyl)-L-prolinamide small molecule experimental 413.5563 C23H35N5O2 DB06859 N-ALLYL-5-AMIDINOAMINOOXY-PROPYLOXY-3-CHLORO-N-CYCLOPENTYLBENZAMIDE small molecule experimental 394.896 C19H27ClN4O3 DB06860 2-(2-chloropyridin-4-yl)-4-methyl-1H-isoindole-1,3(2H)-dione small molecule experimental 272.686 C14H9ClN2O2 DB06861 6-(2-HYDROXY-CYCLOPENTYL)-7-OXO-HEPTANAMIDINE small molecule experimental 226.3153 C12H22N2O2 DB06862 2-HYDROXY-5-(2-MERCAPTO-ETHYLSULFAMOYL)-BENZOIC ACID small molecule experimental 277.317 C9H11NO5S2 DB06864 2-(3-CARBOXYPROPIONYL)-6-HYDROXY-CYCLOHEXA-2,4-DIENE CARBOXYLIC ACID small molecule experimental 240.2094 C11H12O6 DB06865 6-CARBAMIMIDOYL-2-[2-HYDROXY-6-(4-HYDROXY-PHENYL)-INDAN-1-YL]-HEXANOIC ACID small molecule experimental 382.4528 C22H26N2O4 DB06866 6-CARBAMIMIDOYL-2-[2-HYDROXY-5-(3-METHOXY-PHENYL)-INDAN-1-YL]-HEXANOIC ACID small molecule experimental 396.4794 C23H28N2O4 DB06867 3,6,9,12,15,18-HEXAOXAICOSANE small molecule experimental 294.3844 C14H30O6 DB06868 N-(3-chlorobenzyl)-1-(4-methylpentanoyl)-L-prolinamide small molecule experimental 336.856 C18H25ClN2O2 DB06869 1-[2-AMINO-2-CYCLOHEXYL-ACETYL]-PYRROLIDINE-3-CARBOXYLIC ACID 5-CHLORO-2-(2-ETHYLCARBAMOYL-ETHOXY)-BENZYLAMIDE small molecule experimental 479.012 C24H35ClN4O4 DB06870 Tetrahydrogestrinone small molecule experimental 618903-56-3 312.4458 C21H28O2 DB06871 17-METHYL-17-ALPHA-DIHYDROEQUILENIN small molecule experimental 282.3768 C19H22O2 DB06872 1-((2-HYDROXYETHOXY)METHYL)-5-(PHENYLTHIO)PYRIMIDINE-2,4(1H,3H)-DIONE small molecule experimental 294.326 C13H14N2O4S DB06873 1-((2-HYDROXYETHOXY)METHYL)-5-(3-(BENZYLOXY)BENZYL)PYRIMIDINE-2,4(1H,3H)-DIONE small molecule experimental 382.4098 C21H22N2O5 DB06874 (6-[4-(AMINOMETHYL)-2,6-DIMETHYLPHENOXY]-2-{[4-(AMINOMETHYL)PHENYL]AMINO}-5-BROMOPYRIMIDIN-4-YL)METHANOL small molecule experimental 450.288 C21H16BrN5O2 DB06875 ERB-196 small molecule experimental 550997-55-2 279.2652 C17H10FNO2 DB06876 N-{5-[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]-1H-PYRROLO[2,3-B]PYRIDIN-3-YL}NICOTINAMIDE small molecule experimental 412.487 C24H24N6O DB06877 N,N-DIMETHYL-4-(4-PHENYL-1H-PYRAZOL-3-YL)-1H-PYRROLE-2-CARBOXAMIDE small molecule experimental 280.3244 C16H16N4O DB06878 1-[(2R)-2-aminobutanoyl]-N-(3-chlorobenzyl)-L-prolinamide small molecule experimental 323.818 C16H22ClN3O2 DB06879 5-(4'-AMINO-1'-ETHYL-5',8'-DIFLUORO-1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLINE]-1-YLCARBONYL)PICOLINONITRILE small molecule experimental 412.4358 C21H22F2N6O DB06880 (1S)-2-[(2S,5R)-2-(AMINOMETHYL)-5-PROP-1-YN-1-YLPYRROLIDIN-1-YL]-1-CYCLOPENTYL-2-OXOETHANAMINE small molecule experimental 263.3785 C15H25N3O DB06881 (1Z)-2-HYDROXY-3-OXOHEX-1-EN-1-YL DIHYDROGEN PHOSPHATE small molecule experimental 210.1217 C6H11O6P DB06882 1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-naphthalen-1-ylurea small molecule experimental 399.4882 C24H25N5O DB06883 1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-phenylurea small molecule experimental 349.4295 C20H23N5O DB06884 4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDE small molecule experimental 284.3529 C17H20N2O2 DB06885 3-[({(1E)-[2-(trifluoromethyl)phenyl]methylidene}amino)oxy]propanoic acid small molecule experimental 261.1972 C11H10F3NO3 DB06886 N-BENZYLOXYCARBONYL-ALA-PRO-3-AMINO-4-PHENYL-BUTAN-2-OL small molecule experimental 467.5573 C26H33N3O5 DB06887 [(3S)-3-(Methylcarbamoyl)-2-{[(2-methyl-2-propanyl)oxy]carbonyl}-1,2,3,4-tetrahydro-7-isoquinolinyl]sulfamic acid small molecule experimental 385.435 C16H23N3O6S DB06888 (13R,15S)-13-METHYL-16-OXA-8,9,12,22,24-PENTAAZAHEXACYCLO[15.6.2.16,9.1,12,15.0,2,7.0,21,25]HEPTACOSA-1(24),2,4,6,17(25),18,20-HEPTAENE-23,26-DIONE small molecule experimental 403.4338 C22H21N5O3 DB06889 3-(1H-tetrazol-5-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one small molecule experimental 288.328 C12H12N6OS DB06890 (2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE small molecule experimental 240.3003 C15H16N2O DB06891 5-{[(4-AMINO-3-CHLORO-5-FLUOROPHENYL)SULFONYL]AMINO}-1,3,4-THIADIAZOLE-2-SULFONAMIDE small molecule experimental 387.819 C8H7ClFN5O4S3 DB06892 (5S)-4,5-difluoro-6-[(2-fluoro-4-iodophenyl)imino]-N-(2-hydroxyethoxy)cyclohexa-1,3-diene-1-carboxamide small molecule experimental 452.1671 C15H12F3IN2O3 DB06893 Decylsulfonic acid small molecule experimental 20283-21-0 222.345 C10H22O3S DB06894 1-Dodecanol small molecule experimental 112-53-8 186.3342 C12H26O DB06896 1-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1,2-dihydropyridine-3-carboxamide small molecule experimental 458.4163 C25H16F2N4O3 DB06897 3-[3-chloro-5-(5-{[(1S)-1-phenylethyl]amino}isoxazolo[5,4-c]pyridin-3-yl)phenyl]propan-1-ol small molecule experimental 407.893 C23H22ClN3O2 DB06898 4-(2-amino-1-methyl-1H-imidazo[4,5-b]pyridin-6-yl)phenol small molecule experimental 240.2606 C13H12N4O DB06899 N-{2-[6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2,2-DIMETHYL-3-OXO-2,3-DIHYDRO-4H-1,4-BENZOTHIAZIN-4-YL]ETHYL}ACETAMIDE small molecule experimental 414.524 C20H26N6O2S DB06900 1-[4-(hydroxymethyl)phenyl]guanidine small molecule experimental 165.1924 C8H11N3O DB06901 2-(2-HYDROXY-CYCLOPENTYL)-PENT-4-ENAL small molecule experimental 168.2328 C10H16O2 DB06902 p-Cumylphenol small molecule experimental 599-64-4 212.2869 C15H16O DB06903 (1S,3aS,5aR,8aS)-1,7,7-trimethyl-1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene-4-carboxylic acid small molecule experimental 234.334 C15H22O2 DB06904 (5S,6S)-6-[(R)ACETOXYETH-2-YL]-PENEM-3-CARBOXYLATEPROPANE small molecule experimental 299.343 C13H17NO5S DB06905 (2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoic acid small molecule experimental 331.4492 C20H29NO3 DB06906 ethyl 2-amino-4-hydroxypyrimidine-5-carboxylate small molecule experimental 15400-53-0 183.1647 C7H9N3O3 DB06907 2-(2,6-DICHLOROPHENYL)-1,3-BENZOXAZOLE-6-CARBOXYLIC ACID small molecule experimental 308.116 C14H7Cl2NO3 DB06908 (2S)-3-(1-{[2-(2-CHLOROPHENYL)-5-METHYL-1,3-OXAZOL-4-YL]METHYL}-1H-INDOL-5-YL)-2-ETHOXYPROPANOIC ACID small molecule experimental 438.903 C24H23ClN2O4 DB06909 1-ethyl-N-(phenylmethyl)-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide small molecule experimental 379.4555 C21H25N5O2 DB06910 [4-R-(4-ALPHA,6-BETA,7-BETA]-HEXAHYDRO-5,6-DI(HYDROXY)-1,3-DI(ALLYL)-4,7-BISPHENYLMETHYL)-2H-1,3-DIAZEPINONE small molecule experimental 406.5173 C25H30N2O3 DB06911 D-leucyl-N-(3-chlorobenzyl)-L-prolinamide small molecule experimental 351.871 C18H26ClN3O2 DB06912 UNDECA-3,7-DIENE-1,3,7,11-TETRACARBALDEHYDE small molecule experimental 264.3169 C15H20O4 DB06913 (3R)-3-[3,5-Bis(trifluoromethyl)anilino]-2-cyano-3-sulfanylpropanamide small molecule experimental 357.275 C12H9F6N3OS DB06914 1-({2-[2-(4-CHLOROPHENYL)ETHYL]-1,3-DIOXOLAN-2-YL}METHYL)-1H-IMIDAZOLE small molecule experimental 292.761 C15H17ClN2O2 DB06915 naphthalene-1,2,4,5,7-pentol small molecule experimental 208.1675 C10H8O5 DB06916 N-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]-1-[2-(1H-IMIDAZOL-1-YL)-6-METHYLPYRIMIDIN-4-YL]-D-PROLINAMIDE small molecule experimental 420.4644 C22H24N6O3 DB06917 (4-fluorophenyl)(pyridin-4-yl)methanone small molecule experimental 201.1964 C12H8FNO DB06918 2-(2-METHYLPHENYL)-1H-INDOLE-6-CARBOXIMIDAMIDE small molecule experimental 249.3104 C16H15N3 DB06919 D-phenylalanyl-N-(3-chlorobenzyl)-L-prolinamide small molecule experimental 385.887 C21H24ClN3O2 DB06920 Eribaxaban small molecule experimental 536748-46-6 484.907 C24H22ClFN4O4 DB06921 (2S)-2-[3-(AMINOMETHYL)PHENYL]-3-[(R)-HYDROXY{(1R)-2-METHYL-1-[(PHENYLSULFONYL)AMINO]PROPYL}PHOSPHORYL]PROPANOIC ACID small molecule experimental 454.477 C20H27N2O6PS DB06922 2-[(1R)-1-carboxy-2-naphthalen-1-ylethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid small molecule experimental 389.3576 C22H15NO6 DB06923 2-(3-METHYLPHENYL)-1H-INDOLE-5-CARBOXIMIDAMIDE small molecule experimental 249.3104 C16H15N3 DB06924 (2R)-2-benzyl-3-nitropropanoic acid small molecule experimental 209.1986 C10H11NO4 DB06925 3-(2-AMINOQUINAZOLIN-6-YL)-4-METHYL-N-[3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE small molecule experimental 422.4025 C23H17F3N4O DB06926 (9Z,11E,13S)-13-hydroxyoctadeca-9,11-dienoic acid small molecule experimental 296.4449 C18H32O3 DB06927 [5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOFURAN-7-YL]ACETONITRILE small molecule experimental 265.2634 C16H11NO3 DB06928 (2S)-2-{[HYDROXY(4-IODOBENZYL)PHOSPHORYL]METHYL}PENTANEDIOIC ACID small molecule experimental 426.1408 C13H16IO6P DB06929 1-butanoyl-N-(4-carbamimidoylbenzyl)-L-prolinamide small molecule experimental 316.3981 C17H24N4O2 DB06930 N-[amino(imino)methyl]-2-(2,5-diphenyl-1H-pyrrol-1-yl)acetamide small molecule experimental 318.3724 C19H18N4O DB06931 (1-HYDROXYNONANE-1,1-DIYL)BIS(PHOSPHONIC ACID) small molecule experimental 304.2143 C9H22O7P2 DB06932 10,11-dimethoxy-4-methyldibenzo[c,f]-2,7-naphthyridine-3,6-diamine small molecule experimental 334.3718 C19H18N4O2 DB06933 N-(tert-butyl)-4-[5-(pyridin-2-ylamino)quinolin-3-yl]benzenesulfonamide small molecule experimental 432.538 C24H24N4O2S DB06934 (1R)-3-chloro-1-phenylpropan-1-ol small molecule experimental 170.636 C9H11ClO DB06935 2',6'-DIFLUOROBIPHENYL-4-CARBOXYLIC ACID small molecule experimental 234.1982 C13H8F2O2 DB06936 N-(4-carbamimidoylbenzyl)-1-(4-methylpentanoyl)-L-prolinamide small molecule experimental 344.4512 C19H28N4O2 DB06937 4-(6-HYDROXY-BENZO[D]ISOXAZOL-3-YL)BENZENE-1,3-DIOL small molecule experimental 243.2149 C13H9NO4 DB06938 4-[[2-[[4-chloro-3-(trifluoromethyl)phenyl]amino]-3H-benzimidazol-5-yl]oxy]-N-methyl-pyridine-2-carboxamide small molecule experimental 461.824 C21H15ClF3N5O2 DB06939 N-(TRANS-4-{(1S,2S)-2-AMINO-3-[(3S)-3-FLUOROPYRROLIDIN-1-YL]-1-METHYL-3-OXOPROPYL}CYCLOHEXYL)-N-METHYLACETAMIDE small molecule experimental 327.4374 C17H30FN3O2 DB06940 N-ethyl-4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide small molecule experimental 382.4164 C19H22N6O3 DB06941 (Z)-2-[2-(4-methylpiperazin-1-yl)benzyl]diazenecarbothioamide small molecule experimental 277.388 C13H19N5S DB06942 N-(4-carbamimidoylbenzyl)-1-(3-phenylpropanoyl)-L-prolinamide small molecule experimental 378.4674 C22H26N4O2 DB06943 (3S)-1-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}pyrrolidine-3-thiol small molecule experimental 311.42 C14H17NO3S2 DB06944 N-(3-cyclopropyl-1H-pyrazol-5-yl)-2-(2-naphthyl)acetamide small molecule experimental 291.3471 C18H17N3O DB06945 N-hydroxy-4-({4-[4-(trifluoromethyl)phenoxy]phenyl}sulfonyl)tetrahydro-2H-pyran-4-carboxamide small molecule experimental 445.41 C19H18F3NO6S DB06946 (2S,3S)-3-(4-fluorophenyl)-2,3-dihydroxypropanoic acid small molecule experimental 200.1638 C9H9FO4 DB06947 1-[(2R)-2-aminobutanoyl]-N-(4-carbamimidoylbenzyl)-L-prolinamide small molecule experimental 331.4127 C17H25N5O2 DB06948 2-ANILINO-6-CYCLOHEXYLMETHOXYPURINE small molecule experimental 323.3922 C18H21N5O DB06949 N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]naphthalene-2-carbohydrazide small molecule experimental 464.107 C18H12Br2N2O3 DB06950 4-chloro-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide small molecule experimental 448.494 C14H9Br2ClN2O3 DB06951 (3R)-3-ethyl-N-[(4-methylphenyl)sulfonyl]-L-aspartic acid small molecule experimental 315.342 C13H17NO6S DB06952 (2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACID small molecule experimental 192.1681 C10H8O4 DB06953 2-CHLORO-5-(3-CHLORO-PHENYL)-6-[(4-CYANO-PHENYL)-(3-METHYL-3H-IMIDAZOL-4-YL)- METHOXYMETHYL]-NICOTINONITRILE small molecule experimental 474.341 C25H17Cl2N5O DB06954 2-(cycloheptylmethyl)-1,1-dioxido-1-benzothiophen-6-yl sulfamate small molecule experimental 371.472 C16H21NO5S2 DB06955 3,4-bis(7-chloro-1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylic acid small molecule experimental 454.262 C22H13Cl2N3O4 DB06956 N-(4-ACETYLPHENYL)-5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-1H-PYRAZOLE-4-CARBOXAMIDE small molecule experimental 371.774 C18H14ClN3O4 DB06957 4-CHLORO-6-(4-{4-[4-(METHYLSULFONYL)BENZYL]PIPERAZIN-1-YL}-1H-PYRAZOL-5-YL)BENZENE-1,3-DIOL small molecule experimental 462.95 C21H23ClN4O4S DB06958 5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-N-ETHYL-4-PIPERAZIN-1-YL-1H-PYRAZOLE-3-CARBOXAMIDE small molecule experimental 365.815 C16H20ClN5O3 DB06959 (2S)-1-(3H-Indol-3-yl)-3-{[5-(6-isoquinolinyl)-3-pyridinyl]oxy}-2-propanamine small molecule experimental 394.4684 C25H22N4O DB06960 N-[(1R,2R,3E)-2-hydroxy-1-(hydroxymethyl)heptadec-3-en-1-yl]acetamide small molecule experimental 341.5286 C20H39NO3 DB06961 5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]isoxazole-3-carboxamide small molecule experimental 457.907 C23H24ClN3O5 DB06962 JNJ-27390467 small molecule experimental 1025795-11-2 412.4804 C26H24N2O3 DB06963 3-[3-(3-methyl-6-{[(1S)-1-phenylethyl]amino}-1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide small molecule experimental 399.4882 C24H25N5O DB06964 5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-N-ETHYL-4-(4-METHOXYPHENYL)ISOXAZOLE-3-CARBOXAMIDE small molecule experimental 388.802 C19H17ClN2O5 DB06965 Hexylphosphonic acid (R)-2-methyl-3-phenylpropyl ester small molecule experimental 298.3575 C16H27O3P DB06966 Hexylphosphonic acid (S)-2-methyl-3-phenylpropyl ester small molecule experimental 298.3575 C16H27O3P DB06967 6-ETHYL-5-[9-(3-METHOXYPROPYL)-9H-CARBAZOL-2-YL]PYRIMIDINE-2,4-DIAMINE small molecule experimental 375.4668 C22H25N5O DB06968 1,1'-HEXANE-1,6-DIYLBIS(1H-IMIDAZOLE) small molecule experimental 218.2981 C12H18N4 DB06969 2-amino-4-[2,4-dichloro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide small molecule experimental 480.411 C21H23Cl2N5O2S DB06970 2-CHLORO-N-(3-CYANO-5,6-DIHYDRO-4H-CYCLOPENTA[B]THIOPHEN-2-YL)-5-DIETHYLSULFAMOYL-BENZAMIDE small molecule experimental 437.963 C19H20ClN3O3S2 DB06971 N-{2-[(4'-CYANO-1,1'-BIPHENYL-4-YL)OXY]ETHYL}-N'-HYDROXY-N-METHYLUREA small molecule experimental 311.3352 C17H17N3O3 DB06972 7A-[(4-cyanophenyl)methyl]-6-(3,5-dichlorophenyl)-5-oxo-2,3,5,7A-tetrahydro-1H-pyrrolo[1,2-A]pyrrole-7-carbonitrile small molecule experimental 408.28 C22H15Cl2N3O DB06973 Bisphenol A small molecule experimental 80-05-7 228.2863 C15H16O2 DB06974 5-hydroxy-4-(7-methoxy-1,1-dioxido-2H-1,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-phenylpyridazin-3(2H)-one small molecule experimental 468.525 C23H24N4O5S DB06976 1-(5-OXO-2,3,5,9B-TETRAHYDRO-1H-PYRROLO[2,1-A]ISOINDOL-9-YL)-3-(5-PYRROLIDIN-2-YL-1H-PYRAZOL-3-YL)-UREA small molecule experimental 366.417 C19H22N6O2 DB06977 (2S)-1-{[5-(1H-Indazol-5-yl)-3-pyridinyl]oxy}-3-(7aH-indol-3-yl)-2-propanamine small molecule experimental 383.4457 C23H21N5O DB06978 N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]-4-methoxybenzohydrazide small molecule experimental 444.075 C15H12Br2N2O4 DB06979 5-(dodecylthio)-1H-1,2,3-triazole-4-carboxylic acid small molecule experimental 313.459 C15H27N3O2S DB06980 (2S)-2-(1H-indol-3-yl)hexanoic acid small molecule experimental 231.2903 C14H17NO2 DB06981 (2S)-2-(1H-indol-3-yl)pentanoic acid small molecule experimental 217.2637 C13H15NO2 DB06982 (2S)-8-[(tert-butoxycarbonyl)amino]-2-(1H-indol-3-yl)octanoic acid small molecule experimental 374.4739 C21H30N2O4 DB06983 (5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl)methanol small molecule experimental 331.3712 C19H17N5O DB06984 (1R,2R,3R,4S,5R)-4-(BENZYLAMINO)-5-(METHYLTHIO)CYCLOPENTANE-1,2,3-TRIOL small molecule experimental 269.36 C13H19NO3S DB06985 2-[({4-[2-(trifluoromethyl)phenyl]piperidin-1-yl}carbonyl)amino]benzoic acid small molecule experimental 392.3717 C20H19F3N2O3 DB06986 2-CHLORO-N-[(1R,2R)-1-HYDROXY-2,3-DIHYDRO-1H-INDEN-2-YL]-6H-THIENO[2,3-B]PYRROLE-5-CARBOXAMIDE small molecule experimental 332.805 C16H13ClN2O2S DB06987 (R)-Atenolol small molecule experimental 56715-13-0 266.3361 C14H22N2O3 DB06988 2-HYDROXY-5-{[(1E)-2-PHENYLETHYLIDENE]AMINO}-L-TYROSINE small molecule experimental 314.3358 C17H18N2O4 DB06989 {4-[2-BENZYL-3-METHOXY-2-(METHOXYCARBONYL)-3-OXOPROPYL]PHENYL}SULFAMIC ACID small molecule experimental 407.438 C19H21NO7S DB06990 4-[(1E,7E)-8-(2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDIN-4-YL)-3,6-DIOXA-2,7-DIAZAOCTA-1,7-DIEN-1-YL]BENZOIC ACID small molecule experimental 346.2949 C15H14N4O6 DB06991 N-[2-methyl-5-(methylcarbamoyl)phenyl]-2-{[(1R)-1-methylpropyl]amino}-1,3-thiazole-5-carboxamide small molecule experimental 346.447 C17H22N4O2S DB06992 (3,3-dimethylpiperidin-1-yl)(6-(3-fluoro-4-methylphenyl)pyridin-2-yl)methanone small molecule experimental 326.4078 C20H23FN2O DB06993 (2S,3S)-4-cyclopropyl-3-{(3R,5R)-3-[2-fluoro-4-(methylsulfonyl)phenyl]-1,2,4-oxadiazolidin-5-yl}-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-amine small molecule experimental 458.523 C20H28F2N4O4S DB06994 (2S,3S)-3-{3-[2-chloro-4-(methylsulfonyl)phenyl]-1,2,4-oxadiazol-5-yl}-1-cyclopentylidene-4-cyclopropyl-1-fluorobutan-2-amine small molecule experimental 453.958 C21H25ClFN3O3S DB06995 N-({4-[(2-aminopyridin-4-yl)oxy]-3-fluorophenyl}carbamoyl)-2-(4-fluorophenyl)acetamide small molecule experimental 398.3628 C20H16F2N4O3 DB06996 D-leucyl-N-(4-carbamimidoylbenzyl)-L-prolinamide small molecule experimental 359.4659 C19H29N5O2 DB06997 2-(4-fluorophenyl)-N-{[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]carbamoyl}acetamide small molecule experimental 422.3842 C22H16F2N4O3 DB00616 Candoxatril small molecule experimental 123122-55-4 515.6383 C29H41NO7 DB06998 [(5R)-5-(2,3-dibromo-5-ethoxy-4-hydroxybenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid small molecule experimental 499.195 C14H13Br2NO5S2 DB06999 PLX-4720 small molecule experimental 918505-84-7 413.826 C17H14ClF2N3O3S DB07000 N-{2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]phenyl}ethanesulfonamide small molecule experimental 442.439 C21H16F2N4O3S DB07001 (3S,5E)-3-propyl-3,4-dihydrothieno[2,3-f][1,4]oxazepin-5(2H)-imine small molecule experimental 210.296 C10H14N2OS DB07002 4-({4-[(4-methoxypyridin-2-yl)amino]piperidin-1-yl}carbonyl)benzonitrile small molecule experimental 336.3877 C19H20N4O2 DB07003 (2S)-2-methyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine small molecule experimental 182.243 C8H10N2OS DB07004 2-[(5-hex-1-yn-1-ylfuran-2-yl)carbonyl]-N-methylhydrazinecarbothioamide small molecule experimental 279.358 C13H17N3O2S DB07005 D-phenylalanyl-N-{4-[amino(iminio)methyl]benzyl}-L-prolinamide small molecule experimental 394.49 C22H28N5O2 DB07006 9-HYDROXY-6-(3-HYDROXYPROPYL)-4-(2-METHOXYPHENYL)PYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE small molecule experimental 416.426 C24H20N2O5 DB07007 (3R)-3-[(1,2,3,4-tetrahydroisoquinolin-7-yloxy)methyl]-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine small molecule experimental 329.417 C17H19N3O2S DB07008 4-(1,3-BENZODIOXOL-5-YLOXY)-2-[4-(1H-IMIDAZOL-1-YL)PHENOXY]PYRIMIDINE small molecule experimental 374.3496 C20H14N4O4 DB07009 2-(5-HYDROXY-NAPHTHALEN-1-YL)-1,3-BENZOOXAZOL-6-OL small molecule experimental 277.2741 C17H11NO3 DB07010 N-BENZYL-4-[4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL]-1H-PYRROLE-2-CARBOXAMIDE small molecule experimental 376.839 C21H17ClN4O DB07011 (3S)-1-(1,3-BENZODIOXOL-5-YLMETHYL)-3-[4-(1H-IMIDAZOL-1-YL)PHENOXY]PIPERIDINE small molecule experimental 377.4363 C22H23N3O3 DB07012 6-AMINO-3,7-DIHYDRO-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE small molecule experimental 201.1848 C9H7N5O DB07013 TERT-BUTYL 4-({[4-(BUT-2-YN-1-YLAMINO)PHENYL]SULFONYL}METHYL)-4-[(HYDROXYAMINO)CARBONYL]PIPERIDINE-1-CARBOXYLATE small molecule experimental 465.563 C22H31N3O6S DB07014 2-(1,3-benzodioxol-5-yl)-5-[(3-fluoro-4-methoxybenzyl)sulfanyl]-1,3,4-oxadiazole small molecule experimental 360.36 C17H13FN2O4S DB07015 (3R,4R)-4-(pyrrolidin-1-ylcarbonyl)-1-(quinoxalin-2-ylcarbonyl)pyrrolidin-3-amine small molecule experimental 339.3916 C18H21N5O2 DB07016 (3R)-8-(dioxidosulfanyl)-3-methyl-1,2,3,4-tetrahydroquinoline small molecule experimental 211.281 C10H13NO2S DB07017 (5S)-2-{[(1S)-1-(4-Fluorophenyl)ethyl]amino}-5-(2-hydroxy-2-propanyl)-5-methyl-1,3-thiazol-4(5H)-one small molecule experimental 310.387 C15H19FN2O2S DB07018 5-ETHYL-3-[(2-METHOXYETHYL)METHYLAMINO]-6-METHYL-4-(3-METHYLBENZYL)PYRIDIN-2(1H)-ONE small molecule experimental 328.4485 C20H28N2O2 DB07019 N-[(5R,14R)-5-AMINO-5,14-DIMETHYL-4-OXO-3-OXA-18-AZATRICYCLO[15.3.1.1~7,11~]DOCOSA-1(21),7(22),8,10,17,19-HEXAEN-19-YL]-N-METHYLMETHANESULFONAMIDE small molecule experimental 459.602 C24H33N3O4S DB07020 N-{3-[5-(1H-1,2,4-triazol-3-yl)-1H-indazol-3-yl]phenyl}furan-2-carboxamide small molecule experimental 370.3642 C20H14N6O2 DB07021 (7R,8R)-8-(2,4,5-trifluorophenyl)-6,7,8,9-tetrahydroimidazo[1,2-a:4,5-c']dipyridin-7-amine small molecule experimental 318.2964 C16H13F3N4 DB07022 3-Hydroxypropyl 3-[(7-carbamimidoyl-1-naphthyl)carbamoyl]benzenesulfonate small molecule experimental 427.474 C21H21N3O5S DB07023 (1R)-2-[(Diaminomethylene)amino]-1-{4-[(4R)-4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl]phenyl}ethyl nicotinate small molecule experimental 384.194 C18H21BN4O5 DB07024 2-(3,4-DIHYDROXYPHENYL)-8-(1,1-DIOXIDOISOTHIAZOLIDIN-2-YL)-3-HYDROXY-6-METHYL-4H-CHROMEN-4-ONE small molecule experimental 403.406 C19H17NO7S DB07025 3-(5-{[4-(AMINOMETHYL)PIPERIDIN-1-YL]METHYL}-1H-INDOL-2-YL)QUINOLIN-2(1H)-ONE small molecule experimental 386.4894 C24H26N4O DB07026 (1S,5S,7R)-N~7~-(BIPHENYL-4-YLMETHYL)-N~3~-HYDROXY-6,8-DIOXA-3-AZABICYCLO[3.2.1]OCTANE-3,7-DICARBOXAMIDE small molecule experimental 383.3978 C20H21N3O5 DB07027 D-phenylalanyl-N-(3-fluorobenzyl)-L-prolinamide small molecule experimental 369.4326 C21H24FN3O2 DB07028 (2-{[(4-BROMO-2-FLUOROBENZYL)AMINO]CARBONYL}-5-CHLOROPHENOXY)ACETIC ACID small molecule experimental 416.626 C16H12BrClFNO4 DB07029 4-(1,3-BENZODIOXOL-5-YLOXY)-2-[4-(1H-IMIDAZOL-1-YL)PHENOXY]-6-METHYLPYRIMIDINE small molecule experimental 388.3761 C21H16N4O4 DB07030 (5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACID small molecule experimental 364.737 C16H13ClN2O6 DB07031 3-Fluoro-4-{[(2R)-2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-2-naphthalenyl)acetyl]amino}benzoic acid small molecule experimental 399.4552 C23H26FNO4 DB07032 2-(4-HYDROXY-PHENYL)BENZOFURAN-5-OL small molecule experimental 226.2274 C14H10O3 DB07033 5-HYDROXY-3-[(1R)-1-(1H-PYRROL-2-YL)ETHYL]-2H-INDOL-2-ONE small molecule experimental 240.2573 C14H12N2O2 DB07034 2,2'-{[9-(HYDROXYIMINO)-9H-FLUORENE-2,7-DIYL]BIS(OXY)}DIACETIC ACID small molecule experimental 343.2876 C17H13NO7 DB07035 (2E)-3-{3-[(5-ETHYL-3-IODO-6-METHYL-2-OXO-1,2-DIHYDROPYRIDIN-4-YL)OXY]PHENYL}ACRYLONITRILE small molecule experimental 406.2177 C17H15IN2O2 DB07036 (3aS,4R,9bR)-2,2-difluoro-4-(4-hydroxyphenyl)-6-(methoxymethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol small molecule experimental 362.3672 C20H20F2O4 DB07037 (2S)-1-AMINO-3-[(5-NITROQUINOLIN-8-YL)AMINO]PROPAN-2-OL small molecule experimental 262.2646 C12H14N4O3 DB07038 2-(cyclohexylamino)benzoic acid small molecule experimental 219.2796 C13H17NO2 DB07039 (2S)-N-(4-cyano-3-iodophenyl)-3-(4-cyanophenoxy)-2-hydroxy-2-methylpropanamide small molecule experimental 447.2265 C18H14IN3O3 DB07040 2-amino-7-fluoro-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxamide small molecule experimental 273.2193 C13H8FN3O3 DB07041 N-[2-(2,4-diaminopyrido[2,3-d]pyrimidin-7-yl)-2-methylpropyl]-4-phenoxybenzamide small molecule experimental 428.4864 C24H24N6O2 DB07042 7-amino-2-tert-butyl-4-{[2-(1H-imidazol-4-yl)ethyl]amino}pyrido[2,3-d]pyrimidine-6-carboxamide small molecule experimental 354.4096 C17H22N8O DB07043 7-amino-2-tert-butyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrido[2,3-d]pyrimidine-6-carboxamide small molecule experimental 407.4722 C20H25N9O DB07044 3-bromo-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide small molecule experimental 492.945 C14H9Br3N2O3 DB07045 (2R,3R,4S,5R)-2-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol small molecule experimental 441.269 C17H18Cl2N6O4 DB07046 2-[(2-chloro-4-iodophenyl)amino]-N-{[(2R)-2,3-dihydroxypropyl]oxy}-3,4-difluorobenzamide small molecule experimental 498.648 C16H14ClF2IN2O4 DB07047 2',4'-DICHLORO-4-HYDROXY-1,1'-BIPHENYL-3-CARBOXYLIC ACID small molecule experimental 283.107 C13H8Cl2O3 DB07048 N-[(2R)-5-(aminosulfonyl)-2,3-dihydro-1H-inden-2-yl]-2-propylpentanamide small molecule experimental 338.465 C17H26N2O3S DB07049 (2R)-1-[(4-tert-butylphenyl)sulfonyl]-2-methyl-4-(4-nitrophenyl)piperazine small molecule experimental 417.522 C21H27N3O4S DB07050 5-[(phenylsulfonyl)amino]-1,3,4-thiadiazole-2-sulfonamide small molecule experimental 320.369 C8H8N4O4S3 DB07051 3,5-DIMETHYL-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER small molecule experimental 245.297 C14H17N2O2 DB07052 5'-S-ethyl-5'-thioadenosine small molecule experimental 311.36 C12H17N5O3S DB07053 2-{5-[3-(7-PROPYL-3-TRIFLUOROMETHYLBENZO[D]ISOXAZOL-6-YLOXY)PROPOXY]INDOL-1-YL}ETHANOIC ACID small molecule experimental 476.445 C24H23F3N2O5 DB07054 (2R)-1-(DIMETHYLAMINO)-3-{4-[(6-{[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-4-YL)AMINO]PHENOXY}PROPAN-2-OL small molecule experimental 465.4439 C22H23F4N5O2 DB07055 2-[2-(1H-tetrazol-5-yl)ethyl]-1H-isoindole-1,3(2H)-dione small molecule experimental 243.2215 C11H9N5O2 DB07056 2-(6-{[(3-chloro-2-methylphenyl)sulfonyl]amino}pyridin-2-yl)-N,N-diethylacetamide small molecule experimental 395.904 C18H22ClN3O3S DB07057 (3S)-1-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid small molecule experimental 221.2093 C11H11NO4 DB07058 5-[1-(4-methoxyphenyl)-1H-benzimidazol-6-yl]-1,3,4-oxadiazole-2(3H)-thione small molecule experimental 324.357 C16H12N4O2S DB07059 N-{2-[6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2,2-DIMETHYL-3-OXO-2,3-DIHYDRO-4H-1,4-BENZOXAZIN-4-YL]ETHYL}ACETAMIDE small molecule experimental 398.4588 C20H26N6O3 DB07060 3-(INDOL-3-YL) LACTATE small molecule experimental 205.2099 C11H11NO3 DB07061 1-(CYCLOHEXYLAMINO)-3-(6-METHYL-3,4-DIHYDRO-1H-CARBAZOL-9(2H)-YL)PROPAN-2-OL small molecule experimental 340.5023 C22H32N2O DB07062 N-{3-[4-Hydroxy-1-(3-methylbutyl)-2-oxo-1,2-dihydropyrrolo[1,2-b]pyridazin-3-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide small molecule experimental 493.557 C20H23N5O6S2 DB07064 (4R)-4-(3-HYDROXYPHENYL)-N,N,7,8-TETRAMETHYL-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE small molecule experimental 324.4168 C20H24N2O2 DB07065 5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)-3-thiocyanatopyrazolo[1,5-a]pyrimidin-7-amine small molecule experimental 427.31 C19H12Cl2N6S DB07066 2-CHLORO-N-[(3R)-2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-3-YL]-6H-THIENO[2,3-B]PYRROLE-5-CARBOXAMIDE small molecule experimental 345.803 C16H12ClN3O2S DB07067 (2S,3S)-3-{3-[4-(METHYLSULFONYL)PHENYL]-1,2,4-OXADIAZOL-5-YL}-1-OXO-1-PYRROLIDIN-1-YLBUTAN-2-AMINE small molecule experimental 378.446 C17H22N4O4S DB07068 (4-{4-[(TERT-BUTOXYCARBONYL)AMINO]-2,2-BIS(ETHOXYCARBONYL)BUTYL}PHENYL)SULFAMIC ACID small molecule experimental 488.552 C21H32N2O9S DB07069 m-Hydroxyhippuric acid small molecule experimental 1637-75-8 195.1721 C9H9NO4 DB07070 (2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]-4-methoxybenzyl}butanoic acid small molecule experimental 427.3894 C21H21F4NO4 DB07071 (R)-1-(4-(4-(Hydroxymethyl)-1,3,2-dioxaborolan-2-YL)phenethyl)guanidine small molecule experimental 263.101 C12H18BN3O3 DB07072 (1S,2R,5S)-5-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-2-(2,4,5-TRIFLUOROPHENYL)CYCLOHEXANAMINE small molecule experimental 419.3674 C18H19F6N5 DB07073 5,5-dimethyl-2-morpholin-4-yl-5,6-dihydro-1,3-benzothiazol-7(4H)-one small molecule experimental 266.359 C13H18N2O2S DB07074 6-CARBAMIMIDOYL-4-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-NAPHTHALENE-2-CARBOXYLIC ACID METHYL ESTER small molecule experimental 377.3933 C21H19N3O4 DB07075 3-(5-{[4-(AMINOMETHYL)PIPERIDIN-1-YL]METHYL}-1H-INDOL-2-YL)-1H-INDAZOLE-6-CARBONITRILE small molecule experimental 384.4769 C23H24N6 DB07076 6-[(Z)-AMINO(IMINO)METHYL]-N-[3-(CYCLOPENTYLOXY)PHENYL]-2-NAPHTHAMIDE small molecule experimental 373.4476 C23H23N3O2 DB07077 (R)-1-(4-(4-(Hydroxymethyl)-1,3,2-dioxaborolan-2-YL)phenyl)guanidine small molecule experimental 235.047 C10H14BN3O3 DB07078 (3Z)-6-(4-HYDROXY-3-METHOXYPHENYL)-3-(1H-PYRROL-2-YLMETHYLENE)-1,3-DIHYDRO-2H-INDOL-2-ONE small molecule experimental 332.3526 C20H16N2O3 DB07079 3-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}propane-1-thiol small molecule experimental 284.394 C13H16O3S2 DB07080 TO-901317 small molecule experimental 293754-55-9 481.333 C17H12F9NO3S DB07081 (2R)-4-[(8R)-8-METHYL-2-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[1,5-A]PYRAZIN-7(8H)-YL]-4-OXO-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE small molecule experimental 421.3402 C17H17F6N5O DB07082 1,1,1,3,3,3-HEXAFLUORO-2-{4-[(2,2,2-TRIFLUOROETHYL)AMINO]PHENYL}PROPAN-2-OL small molecule experimental 341.1729 C11H8F9NO DB07083 beta-phenyl-D-phenylalanyl-N-propyl-L-prolinamide small molecule experimental 379.4953 C23H29N3O2 DB07084 N-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-2-yl)acetamide small molecule experimental 417.4523 C22H27NO7 DB07085 2-{[N-(2-ACETYL-5-CHLORO-4-FLUOROPHENYL)GLYCYL]AMINO}BENZOIC ACID small molecule experimental 364.755 C17H14ClFN2O4 DB07086 4-[(1S,2S,5S)-5-(HYDROXYMETHYL)-8-METHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL small molecule experimental 260.3282 C16H20O3 DB07087 4-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL small molecule experimental 276.3707 C17H24O3 DB07088 (S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclopentyloxy)ethanoyl)pyrrolidine-2-carboxamide small molecule experimental 372.4613 C20H28N4O3 DB07089 N-[amino(imino)methyl]-2-[2-(2-chlorophenyl)-4-(4-propoxyphenyl)-3-thienyl]acetamide small molecule experimental 427.947 C22H22ClN3O2S DB07090 (3S)-N-(3-CHLORO-2-METHYLPHENYL)-1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-CARBOXAMIDE small molecule experimental 334.84 C18H23ClN2O2 DB07091 (S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclohexyloxy)ethanoyl)pyrrolidine-2-carboxamide small molecule experimental 386.4879 C21H30N4O3 DB07092 (2S,3S)-3-AMINO-4-(3,3-DIFLUOROPYRROLIDIN-1-YL)-N,N-DIMETHYL-4-OXO-2-(TRANS-4-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-6-YLCYCLOHEXYL)BUTANAMIDE small molecule experimental 448.5094 C22H30F2N6O2 DB07093 {3-[(5-CHLORO-1,3-BENZOTHIAZOL-2-YL)METHYL]-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL}ACETIC ACID small molecule experimental 351.765 C14H10ClN3O4S DB07094 1-(2,2'-bithiophen-5-yl)methanamine small molecule experimental 195.304 C9H9NS2 DB07095 (S)-N-(4-carbamimidoylbenzyl)-1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxamide small molecule experimental 370.4885 C21H30N4O2 DB07096 6-AMINO-BENZO[DE]ISOQUINOLINE-1,3-DIONE small molecule experimental 212.2041 C12H8N2O2 DB07097 4-tert-butyl-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide small molecule experimental 470.155 C18H18Br2N2O3 DB07098 4-bromo-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide small molecule experimental 492.945 C14H9Br3N2O3 DB07099 N-[4-(benzyloxy)phenyl]glycinamide small molecule experimental 256.2997 C15H16N2O2 DB07100 4-CHLORO-6-(4-PIPERAZIN-1-YL-1H-PYRAZOL-5-YL)BENZENE-1,3-DIOL small molecule experimental 294.737 C13H15ClN4O2 DB07102 (2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acid small molecule experimental 328.3624 C18H20N2O4 DB07103 2-(4-METHYLPHENOXY)ETHYLPHOSPHINATE small molecule experimental 199.1635 C9H12O3P DB07104 4-amino-N-[4-(benzyloxy)phenyl]butanamide small molecule experimental 284.3529 C17H20N2O2 DB07105 2-[2-(4-Chloro-Phenylsulfanyl)-Acetylamino]-3-(4-Guanidino-Phenyl)-Propionamide small molecule experimental 405.9 C18H20ClN5O2S DB07106 SKF-91488 small molecule experimental 68643-23-2 175.295 C7H17N3S DB07107 (1S)-2-(1H-INDOL-3-YL)-1-[({5-[(E)-2-PYRIDIN-4-YLVINYL]PYRIDIN-3-YL}OXY)METHYL]ETHYLAMINE small molecule experimental 370.447 C23H22N4O DB07108 4'-FLUORO-1,1'-BIPHENYL-4-CARBOXYLIC ACID small molecule experimental 216.2078 C13H9FO2 DB07109 Isoferulic acid small molecule experimental 537-73-5 194.184 C10H10O4 DB07110 4-(4-FLUOROBENZYL)PIPERIDINE small molecule experimental 193.2605 C12H16FN DB07111 (4S,5E,7Z,10Z,13Z,16Z,19Z)-4-hydroxydocosa-5,7,10,13,16,19-hexaenoic acid small molecule experimental 344.4877 C22H32O3 DB07112 N-[(4-HYDROXY-8-IODOISOQUINOLIN-3-YL)CARBONYL]GLYCINE small molecule experimental 372.1153 C12H9IN2O4 DB07113 (2S)-6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2-(3,5-DIFLUOROPHENYL)-4-(3-METHOXYPROPYL)-2H-1,4-BENZOXAZIN-3(4H)-ONE small molecule experimental 469.4838 C24H25F2N5O3 DB07114 4-[(METHYLSULFONYL)AMINO]BENZOIC ACID small molecule experimental 215.226 C8H9NO4S DB07115 N-(4-chlorobenzyl)-N-methylbenzene-1,4-disulfonamide small molecule experimental 374.863 C14H15ClN2O4S2 DB07116 1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)-4-METHYL-1H-INDOLE small molecule experimental 327.2696 C14H18NO6P DB07117 5-(4-PHENOXYPHENYL)-5-(4-PYRIMIDIN-2-YLPIPERAZIN-1-YL)PYRIMIDINE-2,4,6(2H,3H)-TRIONE small molecule experimental 458.4693 C24H22N6O4 DB07118 Hymecromone small molecule experimental 90-33-5 176.1687 C10H8O3 DB07119 1-CHLORO-6-(4-HYDROXYPHENYL)-2-NAPHTHOL small molecule experimental 270.71 C16H11ClO2 DB07120 3-Carbamimidamido-1,1-diphenylurea small molecule experimental 269.3018 C14H15N5O DB07121 4-({4-[(4-AMINOBUT-2-YNYL)OXY]PHENYL}SULFONYL)-N-HYDROXY-2,2-DIMETHYLTHIOMORPHOLINE-3-CARBOXAMIDE small molecule experimental 413.512 C17H23N3O5S2 DB07122 1-[4-(2-oxo-2-phenylethyl)phenyl]guanidine small molecule experimental 253.2991 C15H15N3O DB07123 N-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINE small molecule experimental 293.4027 C20H23NO DB07124 (2S)-1-(6H-INDOL-3-YL)-3-{[5-(7H-PYRAZOLO[3,4-C]PYRIDIN-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE small molecule experimental 384.4338 C22H20N6O DB07125 4-(6-{[(1R)-1-(hydroxymethyl)propyl]amino}imidazo[1,2-b]pyridazin-3-yl)benzoic acid small molecule experimental 326.3498 C17H18N4O3 DB07126 O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO) PURINE small molecule experimental 402.471 C18H22N6O3S DB07127 {4-[2,2-BIS(5-METHYL-1,2,4-OXADIAZOL-3-YL)-3-PHENYLPROPYL]PHENYL}SULFAMIC ACID small molecule experimental 455.487 C21H21N5O5S DB07128 N7-BUTYL-N2-(5-CHLORO-2-METHYLPHENYL)-5-METHYL[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-2,7-DIAMINE small molecule experimental 344.842 C17H21ClN6 DB07129 (2R)-1-(2,6-dimethylphenoxy)propan-2-amine small molecule experimental 179.2588 C11H17NO DB07130 4-BROMO-3-(CARBOXYMETHOXY)-5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID small molecule experimental 357.177 C13H9BrO5S DB07131 (S)-N-(4-carbamimidoylbenzyl)-1-(3-cyclohexylpropanoyl)pyrrolidine-2-carboxamide small molecule experimental 384.5151 C22H32N4O2 DB07132 1-{2-OXO-3-[(1R)-1-(1H-PYRROL-2-YL)ETHYL]-2H-INDOL-5-YL}UREA small molecule experimental 282.2973 C15H14N4O2 DB07133 D-phenylalanyl-N-(3-methylbenzyl)-L-prolinamide small molecule experimental 365.4687 C22H27N3O2 DB07134 5-(4-CHLORO-5-PHENYL-3-THIENYL)-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE small molecule experimental 328.794 C12H9ClN2O3S2 DB07135 (2S,3S)-3-AMINO-4-[(3S)-3-FLUOROPYRROLIDIN-1-YL]-N,N-DIMETHYL-4-OXO-2-(TRANS-4-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-5-YLCYCLOHEXYL)BUTANAMIDE small molecule experimental 430.5189 C22H31FN6O2 DB07136 BX-528 small molecule experimental 607837-17-2 496.557 C23H33N2O6PS DB07137 (2S)-N-[(3E)-5-Cyclopropyl-3H-pyrazol-3-ylidene]-2-[4-(2-oxo-1-imidazolidinyl)phenyl]propanamide small molecule experimental 337.3758 C18H19N5O2 DB07139 3-[5-(3-nitrophenyl)thiophen-2-yl]propanoic acid small molecule experimental 277.296 C13H11NO4S DB07140 5-[(3R)-3-(5-methoxybiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine small molecule experimental 358.4363 C22H22N4O DB07141 5-[(3R)-3-(5-methoxy-4'-methylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine small molecule experimental 372.4629 C23H24N4O DB07142 5-[(3R)-3-(5-methoxy-3',5'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine small molecule experimental 386.4894 C24H26N4O DB07143 D-phenylalanyl-N-benzyl-L-prolinamide small molecule experimental 351.4421 C21H25N3O2 DB07144 5-[(3R)-3-(5-methoxy-2',6'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine small molecule experimental 386.4894 C24H26N4O DB07145 (2R)-N-HYDROXY-2-[(3S)-3-METHYL-3-{4-[(2-METHYLQUINOLIN-4-YL)METHOXY]PHENYL}-2-OXOPYRROLIDIN-1-YL]PROPANAMIDE small molecule experimental 433.4996 C25H27N3O4 DB07146 2,3-DIPHENYL-N-(2-PIPERAZIN-1-YLETHYL)FURO[2,3-B]PYRIDIN-4-AMINE small molecule experimental 398.5001 C25H26N4O DB07147 methyl (1R,2S)-2-(hydroxycarbamoyl)-1-{4-[(2-methylquinolin-4-yl)methoxy]benzyl}cyclopropanecarboxylate small molecule experimental 420.4578 C24H24N2O5 DB07148 (6S)-1-chloro-3-[(4-fluorobenzyl)oxy]-6-(pyrrolidin-1-ylcarbonyl)pyrrolo[1,2-a]pyrazin-4(6H)-one small molecule experimental 389.808 C19H17ClFN3O3 DB07149 (7S)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one small molecule experimental 275.2816 C13H14FN5O DB07150 4-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIME small molecule experimental 263.2906 C17H13NO2 DB07151 4-(4-hydroxy-3-methylphenyl)-6-phenylpyrimidin-2(5H)-one small molecule experimental 278.3053 C17H14N2O2 DB07152 N-[4-(5-fluoro-6-methylpyridin-2-yl)-5-quinoxalin-6-yl-1H-imidazol-2-yl]acetamide small molecule experimental 362.3604 C19H15FN6O DB07153 6-methyl-5-[3-methyl-3-(3,4,5-trimethoxyphenyl)but-1-yn-1-yl]pyrimidine-2,4-diamine small molecule experimental 356.4189 C19H24N4O3 DB07154 (3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-3-METHYL-1,4-DIAZEPAN-2-ONE small molecule experimental 343.3441 C16H20F3N3O2 DB07155 (3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE-3-CARBOXAMIDE small molecule experimental 286.3688 C17H22N2O2 DB07156 (4Z)-6-bromo-4-({[4-(pyrrolidin-1-ylmethyl)phenyl]amino}methylidene)isoquinoline-1,3(2H,4H)-dione small molecule experimental 426.306 C21H20BrN3O2 DB07157 (5R,6S,8S)-8-[3-(AMINOMETHYL)PHENYL]-6-HYDROXY-5-ISOPROPYL-3-OXO-1-PHENYL-2,7-DIOXA-4-AZA-6-PHOSPHANONAN-9-OIC ACID 6-OXIDE small molecule experimental 450.422 C21H27N2O7P DB07158 5-ETHYL-3-METHYL-1,5-DIHYDRO-4H-PYRAZOLO[4,3-C]QUINOLIN-4-ONE small molecule experimental 227.2618 C13H13N3O DB07159 Tamatinib small molecule experimental 841290-80-0 470.4536 C22H23FN6O5 DB07160 N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-2-YL]CARBONYL}-L-ISOLEUCINE small molecule experimental 273.2824 C12H19NO6 DB07161 5-phenyl-1H-indazol-3-amine small molecule experimental 209.2465 C13H11N3 DB07162 4-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide small molecule experimental 344.431 C17H20N4O2S DB07163 5-[(2-AMINOETHYL)AMINO]-6-FLUORO-3-(1H-PYRROL-2-YL)BENZO[CD]INDOL-2(1H)-ONE small molecule experimental 310.3256 C17H15FN4O DB07164 N-cyclopropyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine small molecule experimental 252.2746 C13H12N6 DB07165 N-(5-CHLORO-BENZO[B]THIOPHEN-3-YLMETHYL)-2-[6-CHLORO-OXO-3-(2-PYRIDIN-2-YL-ETHYLAMINO)-2H-PYRAZIN-1-YL]-ACETAMIDE small molecule experimental 492.421 C22H23Cl2N5O2S DB07167 5-CYANO-FURAN-2-CARBOXYLIC ACID [5-HYDROXYMETHYL-2-(4-METHYL-PIPERIDIN-1-YL)-PHENYL]-AMIDE small molecule experimental 339.3883 C19H21N3O3 DB07168 [4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(methylamino)pyrimidin-2-yl}amino)phenyl]acetonitrile small molecule experimental 360.4157 C19H20N8 DB07169 5R-(3,4-DICHLOROPHENYLMETHYL)-3-(2-THIOPHENESULFONYLAMINO)-4-OXO-2-THIONOTHIAZOLIDINE small molecule experimental 453.407 C14H10Cl2N2O3S4 DB07170 5'-FLUORO-2',5'-DIDEOXYADENOSINE small molecule experimental 253.233 C10H12FN5O2 DB07171 5-(2-hydroxyethyl)nonane-1,9-diol small molecule experimental 204.3065 C11H24O3 DB07172 (5R,6E,8Z,11Z,14Z,17Z)-5-hydroxyicosa-6,8,11,14,17-pentaenoic acid small molecule experimental 318.4504 C20H30O3 DB07173 7-(5-DEOXY-BETA-D-RIBOFURANOSYL)-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-4-AMINE small molecule experimental 376.1504 C11H13IN4O3 DB07174 6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-4-(3-METHOXYPROPYL)-2,2-DIMETHYL-2H-1,4-BENZOXAZIN-3(4H)-ONE small molecule experimental 385.4601 C20H27N5O3 DB07175 N-{2-methyl-5-[(6-phenylpyrimidin-4-yl)amino]phenyl}methanesulfonamide small molecule experimental 354.426 C18H18N4O2S DB07176 1-Naphthylamine-5-sulfonic acid small molecule experimental 84-89-9 223.248 C10H9NO3S DB07177 (5E,13E)-11-HYDROXY-9,15-DIOXOPROSTA-5,13-DIEN-1-OIC ACID small molecule experimental 350.4492 C20H30O5 DB07178 5-PENTYL-2-PHENOXYPHENOL small molecule experimental 256.3395 C17H20O2 DB07179 3-((3-bromo-5-o-tolylpyrazolo[1,5-a]pyrimidin-7-ylamino)methyl)pyridine 1-oxide small molecule experimental 410.267 C19H16BrN5O DB07180 5-[(Z)-(5-Chloro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-N,2,4-trimethyl-1H-pyrrole-3-carboxamide small molecule experimental 329.781 C17H16ClN3O2 DB07181 4'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl-3-carboxamide small molecule experimental 352.3772 C21H18F2N2O DB07182 (2S)-2-(3-Carbamimidamidophenyl)-3-[hydroxy(3-phenylpropyl)phosphoryl]propanoic acid small molecule experimental 389.392 C19H24N3O4P DB07183 N-(4-phenoxyphenyl)-2-[(pyridin-4-ylmethyl)amino]nicotinamide small molecule experimental 396.4412 C24H20N4O2 DB07184 6-(cyclohexylsulfanyl)-1-(ethoxymethyl)-5-(1-methylethyl)pyrimidine-2,4(1H,3H)-dione small molecule experimental 326.454 C16H26N2O3S DB07185 2-{[(4-CHLOROPHENOXY)ACETYL]AMINO}BENZOIC ACID small molecule experimental 305.713 C15H12ClNO4 DB07186 4-(4-METHYLPIPERAZIN-1-YL)-N-[5-(2-THIENYLACETYL)-1,5-DIHYDROPYRROLO[3,4-C]PYRAZOL-3-YL]BENZAMIDE small molecule experimental 448.541 C23H24N6O2S DB07187 CP-744809 small molecule experimental 463976-07-0 324.74 C13H9ClN2O4S DB07188 (3S)-1-CYCLOHEXYL-N-(3,5-DICHLOROPHENYL)-5-OXOPYRROLIDINE-3-CARBOXAMIDE small molecule experimental 355.259 C17H20Cl2N2O2 DB07189 (1S,3R,6S)-4-oxo-6-{4-[(2-phenylquinolin-4-yl)methoxy]phenyl}-5-azaspiro[2.4]heptane-1-carboxylic acid small molecule experimental 464.5119 C29H24N2O4 DB07190 3-cyclohexyl-D-alanyl-N-(3-chlorobenzyl)-L-prolinamide small molecule experimental 391.935 C21H30ClN3O2 DB07192 (3S)-N-(3-BROMOPHENYL)-1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-CARBOXAMIDE small molecule experimental 365.265 C17H21BrN2O2 DB07193 (2R,3R)-7-(methylsulfonyl)-3-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-2-amine small molecule experimental 395.399 C18H16F3N3O2S DB07194 2-{2-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl}-N-[(1S)-2-hydroxy-1-methylethyl]-4-methyl-1,3-thiazole-5-carboxamide small molecule experimental 397.494 C20H23N5O2S DB07195 4-[(1S,2S,5S)-5-(HYDROXYMETHYL)-6,8,9-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL small molecule experimental 288.3814 C18H24O3 DB07196 N-methyl-1-(2-thiophen-2-ylphenyl)methanamine small molecule experimental 203.303 C12H13NS DB07197 4-BROMO-3-(CARBOXYMETHOXY)-5-(4-HYDROXYPHENYL)THIOPHENE-2-CARBOXYLIC ACID small molecule experimental 373.176 C13H9BrO6S DB07198 5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOFURAN-7-CARBONITRILE small molecule experimental 251.2369 C15H9NO3 DB07199 (2S,4S,5R)-1-(4-TERT-BUTYLBENZOYL)-2-ISOBUTYL-5-(1,3-THIAZOL-2-YL)PYRROLIDINE-2,4-DICARBOXYLIC ACID small molecule experimental 458.57 C24H30N2O5S DB07200 (2S,4S,5R)-2-ISOBUTYL-5-(2-THIENYL)-1-[4-(TRIFLUOROMETHYL)BENZOYL]PYRROLIDINE-2,4-DICARBOXYLIC ACID small molecule experimental 469.474 C22H22F3NO5S DB07201 (2S)-3-[(9H-fluoren-9-ylideneamino)oxy]-2-methylpropanoic acid small molecule experimental 281.3059 C17H15NO3 DB07202 6-CHLORO-3-(3-METHYLISOXAZOL-5-YL)-4-PHENYLQUINOLIN-2(1H)-ONE small molecule experimental 336.772 C19H13ClN2O2 DB07203 6-CYCLOHEXYLMETHOXY-2-(3'-CHLOROANILINO) PURINE small molecule experimental 357.837 C18H20ClN5O DB07204 (1S)-1-(1H-INDOL-3-YLMETHYL)-2-(2-PYRIDIN-4-YL-[1,7]NAPHTYRIDIN-5-YLOXY)-EHYLAMINE small molecule experimental 395.4564 C24H21N5O DB07205 N6-ISOPENTENYL-ADENOSINE-5'-MONOPHOSPHATE small molecule experimental 417.3541 C15H24N5O7P DB07206 6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-2-AMINE small molecule experimental 237.2997 C15H15N3 DB07207 2-(4-HYDROXY-5-PHENYL-1H-PYRAZOL-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE small molecule experimental 318.3327 C17H14N6O DB07208 (8E,10S,12Z)-10-hydroxy-6-oxooctadeca-8,12-dienoic acid small molecule experimental 310.4284 C18H30O4 DB07209 (8R,9Z,12Z)-8-hydroxy-6-oxooctadeca-9,12-dienoic acid small molecule experimental 310.4284 C18H30O4 DB07210 3-bromo-5-phenyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine small molecule experimental 380.241 C18H14BrN5 DB07211 (2R)-2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}PROPENE-1-SULFONAMIDE small molecule experimental 461.983 C18H24ClN3O5S2 DB07212 N-(7-CARBAMIMIDOYL-NAPHTHALEN-1-YL)-3-HYDROXY-2-METHYL-BENZAMIDE small molecule experimental 319.3572 C19H17N3O2 DB07213 (5-{3-[5-(PIPERIDIN-1-YLMETHYL)-1H-INDOL-2-YL]-1H-INDAZOL-6-YL}-2H-1,2,3-TRIAZOL-4-YL)METHANOL small molecule experimental 427.5016 C24H25N7O DB07216 (11S)-8-CHLORO-11-[1-(METHYLSULFONYL)PIPERIDIN-4-YL]-6-PIPERAZIN-1-YL-11H-BENZO[5,6]CYCLOHEPTA[1,2-B]PYRIDINE small molecule experimental 473.031 C24H29ClN4O2S DB07217 N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-fluorobenzamide small molecule experimental 300.351 C16H13FN2OS DB07218 6-CHLORO-9-HYDROXY-1,3-DIMETHYL-1,9-DIHYDRO-4H-PYRAZOLO[3,4-B]QUINOLIN-4-ONE small molecule experimental 263.68 C12H10ClN3O2 DB07219 BENZYL N-({(2S,3S)-3-[(PROPYLAMINO)CARBONYL]OXIRAN-2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINATE small molecule experimental 473.5619 C25H35N3O6 DB07220 N-[5-(1,1-DIOXIDOISOTHIAZOLIDIN-2-YL)-1H-INDAZOL-3-YL]-2-(4-PIPERIDIN-1-YLPHENYL)ACETAMIDE small molecule experimental 453.557 C23H27N5O3S DB07221 (2,2-DIPHOSPHONOETHYL)(DODECYL)DIMETHYLPHOSPHONIUM small molecule experimental 419.3906 C16H38O6P3 DB07222 (3S)-N-(5-CHLORO-2-METHYLPHENYL)-1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-CARBOXAMIDE small molecule experimental 334.84 C18H23ClN2O2 DB07223 METHYL N-({(2S,3S)-3-[(PROPYLAMINO)CARBONYL]OXIRAN-2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINATE small molecule experimental 397.4659 C19H31N3O6 DB07224 N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-2-YL]CARBONYL}-L-ISOLEUCYL-L-ALANINE small molecule experimental 344.3603 C15H24N2O7 DB07225 N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-2-YL]CARBONYL}-L-ISOLEUCYL-L-ISOLEUCINE small molecule experimental 386.44 C18H30N2O7 DB07226 N-[4-(2-CHLOROPHENYL)-1,3-DIOXO-1,2,3,6-TETRAHYDROPYRROLO[3,4-C]CARBAZOL-9-YL]FORMAMIDE small molecule experimental 389.791 C21H12ClN3O3 DB07227 L-778123 small molecule experimental 183499-57-2 405.88 C22H20ClN5O DB07228 1-(5-CHLORO-2-METHOXYPHENYL)-3-{6-[2-(DIMETHYLAMINO)-1-METHYLETHOXY]PYRAZIN-2-YL}UREA small molecule experimental 379.841 C17H22ClN5O3 DB07229 3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-2-YL}-5-METHOXY-1,1'-BIPHENYL-2-OLATE small molecule experimental 357.4052 C22H19N3O2 DB07230 3-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)-1H-INDEN-1-ONE small molecule experimental 317.134 C15H9BrO3 DB07231 N-({(2S,3S)-3-[(BENZYLAMINO)CARBONYL]OXIRAN-2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINE small molecule experimental 431.4822 C22H29N3O6 DB07233 N-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}-5-methyl-D-tryptophan small molecule experimental 426.485 C22H22N2O5S DB07234 3-{[(1R)-1-phenylethyl]amino}-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione small molecule experimental 293.3199 C17H15N3O2 DB07235 N-[(1S)-2-AMINO-1-(2,4-DICHLOROBENZYL)ETHYL]-5-[2-(METHYLAMINO)PYRIMIDIN-4-YL]THIOPHENE-2-CARBOXAMIDE small molecule experimental 436.358 C19H19Cl2N5OS DB07236 3-(6-HYDROXY-NAPHTHALEN-2-YL)-BENZO[D]ISOOXAZOL-6-OL small molecule experimental 277.2741 C17H11NO3 DB07237 {4-[(2R)-pyrrolidin-2-ylmethoxy]phenyl}(4-thiophen-3-ylphenyl)methanone small molecule experimental 363.473 C22H21NO2S DB07239 7-(aminomethyl)-6-(2-chlorophenyl)-1-methyl-1H-benzimidazole-5-carbonitrile small molecule experimental 296.754 C16H13ClN4 DB07240 3-[(9H-fluoren-9-ylideneamino)oxy]propanoic acid small molecule experimental 267.2793 C16H13NO3 DB07241 7-carboxy-5-hydroxy-12,13-dihydro-6H-indolo[2,3-a]pyrrolo[3,4-c]carbazole small molecule experimental 355.3462 C21H13N3O3 DB07242 (4R)-7,8-dichloro-1',9-dimethyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile small molecule experimental 377.268 C18H18Cl2N4O DB07243 (3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXYLATE small molecule experimental 285.341 C16H19N3O2 DB07244 5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}-6-ETHYLPYRIMIDINE-2,4-DIAMINE small molecule experimental 355.3845 C19H19F2N5 DB07245 6-[2-(3'-METHOXYBIPHENYL-3-YL)ETHYL]PYRIDIN-2-AMINE small molecule experimental 304.3856 C20H20N2O DB07246 (2R)-2-AMINO-3,3,3-TRIFLUORO-N-HYDROXY-2-{[(4-PHENOXYPHENYL)SULFONYL]METHYL}PROPANAMIDE small molecule experimental 404.361 C16H15F3N2O5S DB07247 [2'-HYDROXY-3'-(1H-PYRROLO[3,2-C]PYRIDIN-2-YL)-BIPHENYL-3-YLMETHYL]-UREA small molecule experimental 358.3932 C21H18N4O2 DB07248 7-PYRIDIN-2-YL-N-(3,4,5-TRIMETHOXYPHENYL)-7H-PYRROLO[2,3-D]PYRIMIDIN-2-AMINE small molecule experimental 377.3966 C20H19N5O3 DB07249 N-(5-chloro-1,3-benzodioxol-4-yl)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine small molecule experimental 470.949 C24H27ClN4O4 DB07250 N'-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-N-(3,4,5- TRIMETHOXYPHENYL)PYRIMIDINE-2,4-DIAMINE small molecule experimental 430.842 C20H19ClN4O5 DB07251 N'-(3-CHLORO-4-METHOXY-PHENYL)-N-(3,4,5-TRIMETHOXYPHENYL)-1,3,5-TRIAZINE-2,4-DIAMINE small molecule experimental 417.846 C19H20ClN5O4 DB07252 3-({4-[(5-chloro-1,3-benzodioxol-4-yl)amino]pyrimidin-2-yl}amino)benzenesulfonamide small molecule experimental 419.842 C17H14ClN5O4S DB07253 N'-(5-chloro-1,3-benzodioxol-4-yl)-N-(3-methylsulfonylphenyl)pyrimidine-2,4-diamine small molecule experimental 418.854 C18H15ClN4O4S DB07254 N-[3-[[4-[(5-CHLORO-1,3-BENZODIOXOL-4-YL)AMINO]PYRIMIDIN-2-YL]AMINO]PHENYL]METHANESULFONAMIDE small molecule experimental 433.869 C18H16ClN5O4S DB07255 N'-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-N-(3-MORPHOLIN-4-YLPHENYL)PYRIMIDINE-2,4-DIAMINE small molecule experimental 425.868 C21H20ClN5O3 DB07256 3-({4-[(5-CHLORO-1,3-BENZODIOXOL-4-YL)AMINO]PYRIMIDIN-2-YL}AMINO)BENZAMIDE small molecule experimental 383.788 C18H14ClN5O3 DB07257 4-(2-chlorophenyl)-8-(2-hydroxyethyl)-6-methylpyrrolo[3,4-e]indole-1,3(2H,6H)-dione small molecule experimental 354.787 C19H15ClN2O3 DB07258 (R)-pyridin-4-yl[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol small molecule experimental 298.3795 C18H22N2O2 DB07259 1-(4-thiophen-2-ylphenyl)methanamine small molecule experimental 189.277 C11H11NS DB07260 N-benzyl-4-[(2R)-pyrrolidin-2-ylmethoxy]aniline small molecule experimental 282.3801 C18H22N2O DB07261 THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [1-(1-AMINO-ISOQUINOLIN-7-YLMETHYL)-2-OXO-PYRROLDIN-3-YL]-AMIDE small molecule experimental 453.537 C21H19N5O3S2 DB07262 1-{[N-(1-Imino-guanidino-methyl)]sulfanylmethyl}-3-trifluoromethyl-benzene small molecule experimental 276.281 C10H11F3N4S DB07263 [{2-bromo-4-[(2R)-3-oxo-2,3-diphenylpropyl]phenyl}(difluoro)methyl]phosphonic acid small molecule experimental 495.25 C22H18BrF2O4P DB07264 (S)-N-(1-(3-CHLORO-4-FLUOROPHENYL)-2-HYDROXYETHYL)-4-(4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL)-1H-PYRROLE-2-CARBOXAMIDE small molecule experimental 459.3 C22H17Cl2FN4O2 DB07265 3-(9-HYDROXY-1,3-DIOXO-4-PHENYL-2,3-DIHYDROPYRROLO[3,4-C]CARBAZOL-6(1H)-YL)PROPANOIC ACID small molecule experimental 400.3835 C23H16N2O5 DB07266 AKI-001 small molecule experimental 925218-37-7 348.4415 C21H24N4O DB07267 2-(6-methylpyridin-2-yl)-N-pyridin-4-ylquinazolin-4-amine small molecule experimental 313.3559 C19H15N5 DB07268 2-({2-[(3-HYDROXYPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)BENZAMIDE small molecule experimental 321.3333 C17H15N5O2 DB07269 (2S)-2-[3-(AMINOMETHYL)PHENYL]-3-[(R)-[(1R)-1-{[(BENZYLOXY)CARBONYL]AMINO}-2-METHYLPROPYL](HYDROXY)PHOSPHORYL]PROPANOIC ACID small molecule experimental 448.4492 C22H29N2O6P DB07270 N-[7-(3-AMINOPHENYL)-5-METHOXY-1,3-BENZOXAZOL-2-YL]-2,5-DICHLOROBENZENESULFONAMIDE small molecule experimental 464.322 C20H15Cl2N3O4S DB07271 4-[(3R)-3-Amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(2,2,2-trifluoroethyl)-1,4-diazepan-2-one small molecule experimental 411.3421 C17H19F6N3O2 DB07272 N-(4-AMINO-5-CYANO-6-ETHOXYPYRIDIN-2-YL)-2-(4-BROMO-2,5-DIMETHOXYPHENYL)ACETAMIDE small molecule experimental 435.272 C18H19BrN4O4 DB07273 1-[(2-AMINO-4-CHLORO-5-METHYLPHENYL)SULFONYL]-L-PROLINE small molecule experimental 318.777 C12H15ClN2O4S DB07274 N-cyclopropyl-6-[(6,7-dimethoxyquinolin-4-yl)oxy]naphthalene-1-carboxamide small molecule experimental 414.4532 C25H22N2O4 DB07275 3-(1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)-4-hydroxy-1-(3-methylbutyl)quinolin-2(1H)-one small molecule experimental 411.474 C21H21N3O4S DB07276 5-CYANO-N-(2,5-DIMETHOXYBENZYL)-6-ETHOXYPYRIDINE-2-CARBOXAMIDE small molecule experimental 341.3612 C18H19N3O4 DB07277 2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}ETHANESULFONAMIDE small molecule experimental 449.973 C17H24ClN3O5S2 DB07278 GW-813893 small molecule experimental 478644-12-1 447.957 C17H22ClN3O5S2 DB07279 N-ETHYL-N-ISOPROPYL-3-METHYL-5-{[(2S)-2-(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE small molecule experimental 355.4739 C21H29N3O2 DB07280 5-[4-(DIMETHYLAMINO)PHENYL]-6-[(6-MORPHOLIN-4-YLPYRIDIN-3-YL)ETHYNYL]PYRIMIDIN-4-AMINE small molecule experimental 400.4763 C23H24N6O DB07281 N~3~-BENZYLPYRIDINE-2,3-DIAMINE small molecule experimental 199.2517 C12H13N3 DB07282 3-({[(1Z)-(2-methoxyphenyl)methylidene]amino}oxy)propanoic acid small molecule experimental 223.2252 C11H13NO4 DB07283 9-benzyl-2,3,4,9-tetrahydro-1H-carbazole-8-carboxylic acid small molecule experimental 305.3704 C20H19NO2 DB07284 N~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-2,3-DIAMINE small molecule experimental 276.3357 C17H16N4 DB07285 (3R)-4,4-DIFLUORO-3-[(4-METHOXYPHENYL)SULFONYL]BUTANOIC ACID small molecule experimental 294.272 C11H12F2O5S DB07286 BMS-564929 small molecule experimental 627530-84-1 305.716 C14H12ClN3O3 DB07287 2-(2,4-DICHLOROPHENOXY)-5-(PYRIDIN-2-YLMETHYL)PHENOL small molecule experimental 346.207 C18H13Cl2NO2 DB07288 N-(4-chlorophenyl)-2-[(pyridin-4-ylmethyl)amino]benzamide small molecule experimental 337.803 C19H16ClN3O DB07289 5-[3-(BENZYLAMINO)PHENYL]-4-BROMO-3-(CARBOXYMETHOXY)THIOPHENE-2-CARBOXYLIC ACID small molecule experimental 462.314 C20H16BrNO5S DB07290 (2R)-2-{[(4-FLUORO-3-METHYLPHENYL)SULFONYL]AMINO}-N-HYDROXY-2-TETRAHYDRO-2H-PYRAN-4-YLACETAMIDE small molecule experimental 346.374 C14H19FN2O5S DB07291 5-amino-1-(4-chlorophenyl)-1H-pyrazole-4-carbonitrile small molecule experimental 218.642 C10H7ClN4 DB07292 4-(2-amino-1,3-thiazol-4-yl)phenol small molecule experimental 192.238 C9H8N2OS DB07293 benzyl (2-oxopropyl)carbamate small molecule experimental 207.2258 C11H13NO3 DB07294 3-fluoro-4-[2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8,-tetrahydro-naphtalen-2-yl)-acetylamino]-benzoic acid small molecule experimental 399.4552 C23H26FNO4 DB07295 2-[(7-HYDROXY-NAPHTHALEN-1-YL)-OXALYL-AMINO]-BENZOIC ACID small molecule experimental 351.3096 C19H13NO6 DB07296 (5Z)-3-(4-CHLOROPHENYL)-4-HYDROXY-5-(1-NAPHTHYLMETHYLENE)FURAN-2(5H)-ONE small molecule experimental 348.779 C21H13ClO3 DB07297 5,6-DIPHENYL-N-(2-PIPERAZIN-1-YLETHYL)FURO[2,3-D]PYRIMIDIN-4-AMINE small molecule experimental 399.4882 C24H25N5O DB07298 3-(CARBOXYMETHOXY)THIENO[2,3-B]PYRIDINE-2-CARBOXYLIC ACID small molecule experimental 253.231 C10H7NO5S DB07299 4-METHYL-PENTANOIC ACID {1-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-BUTYLCARBAMOYL]-2-METHYL-PROPYL}-AMIDE small molecule experimental 440.603 C20H36N6O3S DB07300 2-(1H-imidazol-1-yl)-9-methoxy-8-(2-methoxyethoxy)benzo[c][2,7]naphthyridin-4-amine small molecule experimental 365.3859 C19H19N5O3 DB07301 Carbazole small molecule experimental 86-74-8 167.2066 C12H9N DB07302 9(S)-HODE small molecule experimental 73543-67-6 296.4449 C18H32O3 DB07303 N~3~-[3-(5-METHOXYPYRIDIN-3-YL)BENZYL]PYRIDINE-2,3-DIAMINE small molecule experimental 306.3617 C18H18N4O DB07304 5-[2-(TRIFLUOROMETHOXY)PHENYL]-2-FUROIC ACID small molecule experimental 272.1768 C12H7F3O4 DB07305 5-(2-CHLORO-4-NITROPHENYL)-2-FUROIC ACID small molecule experimental 267.622 C11H6ClNO5 DB07306 ETHYL 4-[(4-CHLOROPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE small molecule experimental 283.754 C13H18ClN3O2 DB07307 N-cyclopropyl-4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]benzamide small molecule experimental 393.4803 C26H23N3O DB07308 5-(2-CHLOROBENZYL)-2-FUROIC ACID small molecule experimental 236.651 C12H9ClO3 DB07309 5-BROMO-2-{[(4-CHLOROPHENYL)SULFONYL]AMINO}BENZOIC ACID small molecule experimental 390.637 C13H9BrClNO4S DB07310 (5S)-2-{[(1S)-1-(2-fluorophenyl)ethyl]amino}-5-methyl-5-(trifluoromethyl)-1,3-thiazol-4(5H)-one small molecule experimental 320.306 C13H12F4N2OS DB07311 18-CHLORO-11,12,13,14-TETRAHYDRO-1H,10H-8,4-(AZENO)-9,15,1,3,6-BENZODIOXATRIAZACYCLOHEPTADECIN-2-ONE small molecule experimental 348.784 C16H17ClN4O3 DB07312 2,5-DICHLORO-N-(5-CHLORO-1,3-BENZOXAZOL-2-YL)BENZENESULFONAMIDE small molecule experimental 377.63 C13H7Cl3N2O3S DB07313 5-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACID small molecule experimental 291.322 C14H13NO4S DB07314 1-(5-CHLORO-2,4-DIMETHOXYPHENYL)-3-(5-CYANOPYRAZIN-2-YL)UREA small molecule experimental 333.73 C14H12ClN5O3 DB07315 5-chloro-N-{4-[(1R)-1,2-dihydroxyethyl]phenyl}-1H-indole-2-carboxamide small molecule experimental 330.766 C17H15ClN2O3 DB07316 N-{1-[(1-carbamoylcyclopropyl)methyl]piperidin-4-yl}-N-cyclopropyl-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide small molecule experimental 453.4978 C23H30F3N3O3 DB07317 (3E)-3-[(phenylamino)methylidene]dihydrofuran-2(3H)-one small molecule experimental 189.2105 C11H11NO2 DB07318 N-[2-(4-AMINO-5,8-DIFLUORO-1,2-DIHYDROQUINAZOLIN-2-YL)ETHYL]-3-FURAMIDE small molecule experimental 320.2941 C15H14F2N4O2 DB07319 6-(3-BROMO-2-NAPHTHYL)-1,3,5-TRIAZINE-2,4-DIAMINE small molecule experimental 316.156 C13H10BrN5 DB07320 4-(6-{[(4-METHYLCYCLOHEXYL)AMINO]METHYL}-1,4-DIHYDROINDENO[1,2-C]PYRAZOL-3-YL)BENZOIC ACID small molecule experimental 401.5008 C25H27N3O2 DB07321 2,5-DICHLORO-N-[5-METHOXY-7-(6-METHOXYPYRIDIN-3-YL)-1,3-BENZOXAZOL-2-YL]BENZENESULFONAMIDE small molecule experimental 480.321 C20H15Cl2N3O5S DB07322 2-[(PHENYLSULFONYL)AMINO]-5,6,7,8-TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID small molecule experimental 331.386 C17H17NO4S DB07323 2-[({2-[(1Z)-3-(DIMETHYLAMINO)PROP-1-ENYL]-4-FLUOROPHENYL}SULFONYL)AMINO]-5,6,7,8-TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID small molecule experimental 432.508 C22H25FN2O4S DB07324 3-({2-[(2-AMINO-6-METHYLPYRIMIDIN-4-YL)ETHYNYL]BENZYL}AMINO)-1,3-OXAZOL-2(3H)-ONE small molecule experimental 321.3333 C17H15N5O2 DB07325 N-[(2-AMINO-6-METHYLPYRIMIDIN-4-YL)METHYL]-3-{[(E)-(2-OXODIHYDROFURAN-3(2H)-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE small molecule experimental 389.429 C17H19N5O4S DB07326 6-chloro-N-pyrimidin-5-yl-3-{[3-(trifluoromethyl)phenyl]amino}-1,2-benzisoxazole-7-carboxamide small molecule experimental 433.771 C19H11ClF3N5O2 DB07327 R-95845 small molecule experimental 163435-77-6 440.129 C17H16Br2N2O2 DB07328 METHYL 4-{[({[(2R,5S)-5-{[(2S)-2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN-2-YL]METHYL}AMINO)CARBONYL]AMINO}BENZOATE small molecule experimental 403.4754 C20H29N5O4 DB07329 1-[N-4'-NITROBENZYL-N-4'-CARBOXYBUTYLAMINO]METHYLPHOSPHONIC ACID small molecule experimental 346.2729 C13H19N2O7P DB07330 A-620223 small molecule experimental 272769-49-0 286.3721 C16H22N4O DB07331 p-Nitrophenylacetic acid small molecule experimental 104-03-0 181.1455 C8H7NO4 DB07332 ALPHA-(2,6-DICHLOROPHENYL)-ALPHA-(2-ACETYL-5-METHYLANILINO)ACETAMIDE small molecule experimental 351.227 C17H16Cl2N2O2 DB07333 N-(CYCLOPROPYLMETHYL)-4-(METHYLOXY)-3-({5-[3-(3-PYRIDINYL)PHENYL]-1,3-OXAZOL-2-YL}AMINO)BENZENESULFONAMIDE small molecule experimental 476.547 C25H24N4O4S DB07334 N-[5-(ETHYLSULFONYL)-2-METHOXYPHENYL]-5-[3-(2-PYRIDINYL)PHENYL]-1,3-OXAZOL-2-AMINE small molecule experimental 435.496 C23H21N3O4S DB07335 3-[4-AMINO-1-(1-METHYLETHYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL]PHENOL small molecule experimental 269.3018 C14H15N5O DB07336 4-[3-(1H-BENZIMIDAZOL-2-YL)-1H-INDAZOL-6-YL]-2-METHOXYPHENOL small molecule experimental 356.3773 C21H16N4O2 DB07337 4-[4-AMINO-6-(5-CHLORO-1H-INDOL-4-YLMETHYL)-[1,3,5]TRIAZIN-2-YLAMINO]-BENZONITRILE small molecule experimental 375.814 C19H14ClN7 DB07338 Acifluorfen small molecule experimental 50594-66-6 361.657 C14H7ClF3NO5 DB07339 (3S)-3-hydroxy-1-methyl-2,3-dihydro-1H-indole-5,6-dione small molecule experimental 179.1727 C9H9NO3 DB07340 Reversine small molecule experimental 656820-32-5 393.4854 C21H27N7O DB07341 octyl 3-amino-3-deoxy-2-O-(2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)-beta-D-galactopyranoside small molecule experimental 421.5256 C20H39NO8 DB07342 1-(adamantan-1-yl)-2-(1H-imidazol-1-yl)ethanone small molecule experimental 244.3321 C15H20N2O DB07343 4-[4-AMINO-6-(2,6-DICHLORO-PHENOXY)-[1,3,5]TRIAZIN-2-YLAMINO]-BENZONITRILE small molecule experimental 373.196 C16H10Cl2N6O DB07344 3,6,9,12,15-PENTAOXAHEPTADECAN-1-OL small molecule experimental 266.3312 C12H26O6 DB07345 4-(2-aminoethyl)-2-cyclohexylphenol small molecule experimental 219.3226 C14H21NO DB07346 4-(2-aminoethyl)-2-ethylphenol small molecule experimental 165.2322 C10H15NO DB07347 4-(2-Aminoethyl)Benzenesulfonyl Fluoride small molecule experimental 34284-75-8 203.234 C8H10FNO2S DB07348 Brefeldin A small molecule experimental 20350-15-6 280.3594 C16H24O4 DB07349 (1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE small molecule experimental 455.4569 C19H36O10P DB07350 (2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)-1H-pyrrol-2-yl]prop-2-enamide small molecule experimental 284.3098 C16H16N2O3 DB07351 O-(((1R)-((N-(PHENYL-METHOXY-CARBONYL)-ALANYL)-AMINO)METHYL)HYDROXYPHOSPHINYL)3-L-PHENYLLACTATE small molecule experimental 464.4056 C21H25N2O8P DB07352 Apigenin small molecule experimental 520-36-5 270.2369 C15H10O5 DB07353 4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-PHENOL small molecule experimental 210.2728 C11H18N2O2 DB07354 2,3-DIMETHOXY-12H-[1,3]DIOXOLO[5,6]INDENO[1,2-C]ISOQUINOLIN-6-IUM small molecule experimental 322.3346 C19H16NO4 DB07355 3-(heptyloxy)benzoic acid small molecule experimental 236.3068 C14H20O3 DB07356 (1S)-2-[(2S,5R)-2-(AMINOMETHYL)-5-ETHYNYLPYRROLIDIN-1-YL]-1-CYCLOPENTYL-2-OXOETHANAMINE small molecule experimental 249.3519 C14H23N3O DB07357 4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-3,5-DIOL small molecule experimental 263.3306 C12H25NO5 DB07358 2-amino-N-(4-methyl-1,3-thiazol-2-yl)-5-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]benzamide small molecule experimental 346.431 C14H14N6OS2 DB07359 3-[(4-fluorophenyl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)-6-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxamide small molecule experimental 458.555 C19H15FN6OS3 DB07360 1-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}-3-[3-(trifluoromethyl)phenyl]urea small molecule experimental 464.487 C19H15F3N6OS2 DB07362 1-(5-{2-[(1-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl)amino]ethyl}-1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea small molecule experimental 462.451 C19H17F3N8OS DB07363 THIOPHENE-2,5-DISULFONIC ACID 2-AMIDE-5-(4-METHYL-BENZYLAMIDE) small molecule experimental 346.446 C12H14N2O4S3 DB07364 6-PHENYL[5H]PYRROLO[2,3-B]PYRAZINE small molecule experimental 267.3257 C16H17N3O DB07365 1-Naphthyl-L-alanine small molecule experimental 55516-54-6 215.2478 C13H13NO2 DB07366 2-[N'-(4-AMINO-BUTYL)-HYDRAZINOCARBONYL]-PYRROLIDINE-1-CARBOXYLIC ACID BENZYL ESTER small molecule experimental 334.4133 C17H26N4O3 DB07367 (3Z,5S,6R,7S,8S,8aR)-3-(octylimino)hexahydro[1,3]oxazolo[3,4-a]pyridine-5,6,7,8-tetrol small molecule experimental 316.3932 C15H28N2O5 DB07368 4-(METHYLSULFONYL)BENZENECARBOXIMIDAMIDE small molecule experimental 198.242 C8H10N2O2S DB07369 N-(3-chlorophenyl)-N-methyl-2-oxo-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methyl]-2H-indole-5-sulfonamide small molecule experimental 455.957 C23H22ClN3O3S DB07370 (3Z,5S,6R,7S,8R,8aS)-3-(octylimino)hexahydro[1,3]thiazolo[3,4-a]pyridine-5,6,7,8-tetrol small molecule experimental 332.459 C15H28N2O4S DB07371 3-(10-methyl-9-anthryl)propanoic acid small molecule experimental 264.3184 C18H16O2 DB07373 Boldione small molecule experimental 897-06-3 284.3927 C19H24O2 DB07374 Anisomycin small molecule experimental 22862-76-6 265.305 C14H19NO4 DB07375 Etiocholanedione small molecule experimental 1229-12-5 288.4244 C19H28O2 DB07376 5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID) small molecule experimental 251.302 C12H13NO3S DB07377 N'-((2S,3R)-3-AMINO-2-HYDROXY-5-(ISOPROPYLSULFANYL)PENTANOYL)-N-3-CHLOROBENZOYL HYDRAZIDE small molecule experimental 359.871 C15H22ClN3O3S DB07378 4-AMINO-2-OCTYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-3,5-DIOL small molecule experimental 291.3838 C14H29NO5 DB07379 (2S)-2-({6-[(3-Amino-5-chlorophenyl)amino]-9-isopropyl-9H-purin-2-yl}amino)-3-methyl-1-butanol small molecule experimental 403.909 C19H26ClN7O DB07380 1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE) small molecule experimental 259.2244 C12H12F3NO2 DB07381 (S)-atrolactic acid small molecule experimental 13113-71-8 166.1739 C9H10O3 DB07382 N~2~-1H-benzimidazol-5-yl-N~4~-(3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine small molecule experimental 332.3625 C17H16N8 DB07383 N-(1-BENZYL-3,3,3-TRIFLUORO-2,2-DIHYDROXY-PROPYL)-ACETAMIDE small molecule experimental 277.2397 C12H14F3NO3 DB07384 1-ACETYL-2-CARBOXYPIPERIDINE small molecule experimental 171.1937 C8H13NO3 DB07385 3-(HYDROXYMETHYL)-1-METHYL-5-(2-METHYLAZIRIDIN-1-YL)-2-PHENYL-1H-INDOLE-4,7-DIONE small molecule experimental 322.3578 C19H18N2O3 DB07387 3-(BUTYLSULPHONYL)-PROPANOIC ACID small molecule experimental 194.249 C7H14O4S DB07388 ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE small molecule experimental 263.3354 C14H21N3O2 DB07389 N-[2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL]-4-CYANOBENZAMIDE small molecule experimental 280.3244 C16H16N4O DB07390 2-[3-(5-Mercapto-[1,3,4]thiadiazol-2-yl)-ureido]-N-methyl-3-phenyl-propionamide small molecule experimental 337.421 C13H15N5O2S2 DB07391 (2S)-2-AMINO-1-(5-TERT-BUTYL-1,3,4-OXADIAZOL-2-YL)PROPAN-1-ONE small molecule experimental 197.2343 C9H15N3O2 DB07392 Atrazine small molecule experimental 1912-24-9 215.683 C8H14ClN5 DB07393 2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-TETRAHYDRO-2H-ISOPHOSPHINDOL-1-YL)PYRIDINE small molecule experimental 368.4107 C24H21N2P DB07394 AUROVERTIN B small molecule experimental 460.5168 C25H32O8 DB07395 4-[3-(2-Chloro-4,5-difluoro-benzoyl)ureido]-3-trifluoromethoxybenzoic acid small molecule experimental 438.69 C16H8ClF5N2O5 DB07396 AVE-2865 small molecule experimental 648917-13-9 455.815 C20H17ClF3N3O4 DB07397 (5S)-5-(2-amino-2-oxoethyl)-4-oxo-N-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)methyl]-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidine-2-carboxamide small molecule experimental 467.498 C22H21N5O5S DB07398 2-[(CYCLOPROPYLCARBONYL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE small molecule experimental 264.343 C13H16N2O2S DB07400 1-ETHOXYCARBONYL-D-PHE-PRO-2(4-AMINOBUTYL)HYDRAZINE small molecule experimental 419.5178 C21H33N5O4 DB07401 Azoxystrobin small molecule experimental 131860-33-8 403.3875 C22H17N3O5 DB07403 4-[(3-CHLORO-4-{[(2R)-3,3,3-TRIFLUORO-2-HYDROXY-2-METHYLPROPANOYL]AMINO}PHENYL)SULFONYL]-N,N-DIMETHYLBENZAMIDE small molecule experimental 478.87 C19H18ClF3N2O5S DB07404 BPH-608 small molecule experimental 434.3161 C20H20O7P2 DB07405 1-(6-CYANO-3-PYRIDYLCARBONYL)-5',8'-DIFLUOROSPIRO[PIPERIDINE-4,2'(1'H)-QUINAZOLINE]-4'-AMINE small molecule experimental 382.3667 C19H16F2N6O DB07406 (4R)-N-[4-({[2-(DIMETHYLAMINO)ETHYL]AMINO}CARBONYL)-1,3-THIAZOL-2-YL]-4-METHYL-1-OXO-2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLINE-6-CARBOXAMIDE small molecule experimental 440.519 C21H24N6O3S DB07407 5-(2-METHOXYPHENYL)-2-FUROIC ACID small molecule experimental 218.2054 C12H10O4 DB07408 5-(2-NITROPHENYL)-2-FUROIC ACID small molecule experimental 233.177 C11H7NO5 DB07409 (1-HYDROXY-1-PHOSPHONO-2-[1,1';4',1'']TERPHENYL-3-YL-ETHYL)-PHOSPHONIC ACID small molecule experimental 434.3161 C20H20O7P2 DB07410 [2-(3-DIBENZOFURAN-4-YL-PHENYL)-1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID small molecule experimental 448.2996 C20H18O8P2 DB07411 PHENYLALANINE BORONIC ACID small molecule experimental 164.997 C8H12BNO2 DB07412 1-biphenyl-2-ylmethanamine small molecule experimental 183.249 C13H13N DB07413 5'-S-[2-(decylamino)ethyl]-5'-thioadenosine small molecule experimental 466.641 C22H38N6O3S DB07414 (5S)-1-benzyl-3-(1,1-dioxido-1,2-benzisothiazol-3-yl)-4-hydroxy-5-(1-methylethyl)-1,5-dihydro-2H-pyrrol-2-one small molecule experimental 396.459 C21H20N2O4S DB07415 4-[(1S)-1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxy-5-nitrophenyl)ethyl]-1H-imidazol-2-amine small molecule experimental 386.377 C19H19FN4O4 DB07416 (2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATE small molecule experimental 302.4064 C16H30O5 DB07418 bis(4-nitrophenyl) hydrogen phosphate small molecule experimental 340.1822 C12H9N2O8P DB07419 S-23 small molecule experimental 1010396-29-8 416.754 C18H13ClF4N2O3 DB07420 (1R)-4-(3-phenoxyphenyl)-1-phosphonobutane-1-sulfonic acid small molecule experimental 386.357 C16H19O7PS DB07421 4-{[(1R,2S)-1,2-dihydroxy-2-methyl-3-(4-nitrophenoxy)propyl]amino}-2-(trifluoromethyl)benzonitrile small molecule experimental 411.3319 C18H16F3N3O5 DB07422 (2S)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-3-(pentafluorophenoxy)propanamide small molecule experimental 474.2589 C17H10F8N2O5 DB07423 Andarine small molecule experimental 401900-40-1 441.3579 C19H18F3N3O6 DB07424 Tripotassium (1R)-4-biphenyl-4-yl-1-phosphonatobutane-1-sulfonate small molecule experimental 484.628 C16H16K3O6PS DB07426 [1-HYDROXY-2-(1,1':3',1''-TERPHENYL-3-YLOXY)ETHANE-1,1-DIYL]BIS(PHOSPHONIC ACID) small molecule experimental 450.3155 C20H20O8P2 DB07427 2-[(2-methoxy-5-methylphenoxy)methyl]pyridine small molecule experimental 229.2744 C14H15NO2 DB07428 4-[(5-methoxy-2-methylphenoxy)methyl]pyridine small molecule experimental 229.2744 C14H15NO2 DB07429 2-({[4-bromo-3-(diethylsulfamoyl)phenyl]carbonyl}amino)benzoic acid small molecule experimental 455.323 C18H19BrN2O5S DB07430 (10R)-10-methyl-3-(6-methylpyridin-3-yl)-9,10,11,12-tetrahydro-8H-[1,4]diazepino[5',6':4,5]thieno[3,2-f]quinolin-8-one small molecule experimental 374.459 C21H18N4OS DB07431 (3R)-3-(aminomethyl)-9-methoxy-1,2,3,4-tetrahydro-5H-[1]benzothieno[3,2-e][1,4]diazepin-5-one small molecule experimental 277.342 C13H15N3O2S DB07432 [[(3R,4R,5S,6R)-3-(butanoylamino)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-ylidene]amino] N-phenylcarbamate small molecule experimental 381.3804 C17H23N3O7 DB07433 (TERT-BUTYLOXYCARBONYL)-ALANYL-AMINO ETHYL-FORMAMIDE small molecule experimental 259.3021 C11H21N3O4 DB07434 HONH-BENZYLMALONYL-L-ALANYLGLYCINE-P-NITROANILIDE small molecule experimental 457.4366 C21H23N5O7 DB07435 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE small molecule experimental 304.3392 C20H16O3 DB07436 N-(1-PHENYL-PROPYL)-FORMAMIDE small molecule experimental 163.2163 C10H13NO DB07437 5-Benzylacyclouridine small molecule experimental 82857-69-0 276.2878 C14H16N2O4 DB07439 1-((2-HYDROXYETHOXY)METHYL)-5-(3-(BENZYLOXY)BENZYL)-6-HYDROXYPYRIMIDINE-2,4(1H,3H)-DIONE small molecule experimental 398.4092 C21H22N2O6 DB07440 4-TERT-BUTYLBENZENESULFONIC ACID small molecule experimental 214.281 C10H14O3S DB07441 3-{[(9-CYANO-9,10-DIHYDRO-10-METHYLACRIDIN-9-YL)CARBONYL]AMINO}PROPANOIC ACID small molecule experimental 335.3566 C19H17N3O3 DB07443 (2Z)-N-biphenyl-4-yl-2-cyano-3-hydroxybut-2-enamide small molecule experimental 278.3053 C17H14N2O2 DB07444 6-(3-AMINOPROPYL)-4,9-DIMETHYLPYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE small molecule experimental 321.3731 C19H19N3O2 DB07445 N'-[(1E)-(3,5-DIBROMO-2,4-DIHYDROXYPHENYL)METHYLENE]NICOTINOHYDRAZIDE small molecule experimental 415.037 C13H9Br2N3O3 DB07446 N-(biphenyl-4-ylsulfonyl)-D-leucine small molecule experimental 347.429 C18H21NO4S DB07447 5beta-dihydrotestosterone small molecule experimental 571-22-2 290.4403 C19H30O2 DB07448 (2S)-3-[(R)-[(1S)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]-2-benzylpropanoic acid small molecule experimental 361.3719 C19H24NO4P DB07449 N-[(1S)-1-(aminocarbonyl)-4-(ethanimidoylamino)butyl]benzamide small molecule experimental 276.3342 C14H20N4O2 DB07450 (R)-minalrestat small molecule experimental 449.202 C19H11BrF2N2O4 DB07451 1-(5-BROMO-PYRIDIN-2-YL)-3-[2-(6-FLUORO-2-HYDROXY-3-PROPIONYL-PHENYL)-CYCLOPROPYL]-UREA small molecule experimental 422.248 C18H17BrFN3O3 DB07452 2,6-diamino-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one small molecule experimental 216.1994 C9H8N6O DB07453 alpha-Naphthoflavone small molecule experimental 604-59-1 272.2974 C19H12O2 DB07454 (R)-3-BROMO-2-HYDROXY-2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE small molecule experimental 371.107 C11H10BrF3N2O4 DB07455 N,N'-[biphenyl-4,4'-diyldi(2R)propane-2,1-diyl]dimethanesulfonamide small molecule experimental 424.577 C20H28N2O4S2 DB07456 3-(1H-indol-3-yl)-4-(1-{2-[(2S)-1-methylpyrrolidinyl]ethyl}-1H-indol-3-yl)-1H-pyrrole-2,5-dione small molecule experimental 438.5209 C27H26N4O2 DB07457 3-[1-(3-AMINOPROPYL)-1H-INDOL-3-YL]-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE small molecule experimental 384.4305 C23H20N4O2 DB07458 3-(1H-indol-3-yl)-4-{1-[2-(1-methylpyrrolidin-2-yl)ethyl]-1H-indol-3-yl}-1H-pyrrole-2,5-dione small molecule experimental 438.5209 C27H26N4O2 DB07459 4-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDE small molecule experimental 304.3425 C19H16N2O2 DB07460 2-({5-CHLORO-2-[(2-METHOXY-4-MORPHOLIN-4-YLPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)-N-METHYLBENZAMIDE small molecule experimental 468.936 C23H25ClN6O3 DB07461 3-AMINO-3-BENZYL-9-CARBOXAMIDE[4.3.0]BICYCLO-1,6-DIAZANONAN-2-ONE small molecule experimental 273.3303 C15H19N3O2 DB07462 (3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONE small molecule experimental 259.2143 C13H9NO5 DB07463 (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(butylsulfanyl)methyl]pyrrolidin-3-ol small molecule experimental 335.468 C16H25N5OS DB07464 1(R)-1-ACETAMIDO-2-(3-CARBOXY-2-HYDROXYPHENYL)ETHYL BORONIC ACID small molecule experimental 267.043 C11H14BNO6 DB07465 (1S,3S,5S)-2-{(2S)-2-amino-2-[(1R,3S,5R,7S)-3-hydroxytricyclo[3.3.1.1~3,7~]dec-1-yl]acetyl}-2-azabicyclo[3.1.0]hexane-3-carbonitrile small molecule experimental 315.41 C18H25N3O2 DB07466 (1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID small molecule experimental 327.14 C17H18BNO5 DB07467 (S)-Indapamide small molecule experimental 77083-53-5 365.835 C16H16ClN3O3S DB07468 (3aS)-3a-hydroxy-5-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one small molecule experimental 292.3318 C18H16N2O2 DB07469 (3aS)-3a-hydroxy-7-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one small molecule experimental 292.3318 C18H16N2O2 DB07470 (3aS)-3a-hydroxy-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one small molecule experimental 278.3053 C17H14N2O2 DB07471 5-[5,6-BIS(METHYLOXY)-1H-BENZIMIDAZOL-1-YL]-3-{[1-(2-CHLOROPHENYL)ETHYL]OXY}-2-THIOPHENECARBOXAMIDE small molecule experimental 457.93 C22H20ClN3O4S DB07472 (R)-(+)9B-(3-METHYL)PHENYL-2,3-DIHYDROTHIAZOLO[2,3-A]ISOINDOL-5(9BH)-ONE small molecule experimental 281.372 C17H15NOS DB07473 (R)-(+) 5(9BH)-OXO-9B-PHENYL-2,3-DIHYDROTHIAZOLO[2,3-A]ISOINDOL-3-CARBOXYLIC ACID METHYL ESTER small molecule experimental 325.382 C18H15NO3S DB07474 3-[5-(1H-IMIDAZOL-1-YL)-7-METHYL-1H-BENZIMIDAZOL-2-YL]-4-[(PYRIDIN-2-YLMETHYL)AMINO]PYRIDIN-2(1H)-ONE small molecule experimental 397.4326 C22H19N7O DB07476 N-[4-(AMINOSULFONYL)PHENYL]-2-MERCAPTOBENZAMIDE small molecule experimental 308.376 C13H12N2O3S2 DB07477 Felbinac small molecule experimental 5728-52-9 212.2439 C14H12O2 DB07478 3,4-Biphenyldiol small molecule experimental 92-05-7 186.2066 C12H10O2 DB07479 (1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-2,3,4-TRIOL small molecule experimental 280.3178 C18H16O3 DB07480 4-PHOSPHONOOXY-PHENYL-METHYL-[4-PHOSPHONOOXY]BENZEN small molecule experimental 360.193 C13H14O8P2 DB07481 tert-butyl [(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]carbamate small molecule experimental 279.2951 C12H17N5O3 DB07482 (2R)-N-[(2R)-2-(DIHYDROXYBORYL)-1-L-PROLYLPYRROLIDIN-2-YL]-N-[(5R)-5-(DIHYDROXYBORYL)-1-L-PROLYLPYRROLIDIN-2-YL]-L-PROLINAMIDE small molecule experimental 212.054 C9H17BN2O3 DB07483 1,1'-BIPHENYL-2-SULFINIC ACID small molecule experimental 218.272 C12H10O2S DB07484 (2R)-4,4-dihydroxy-5-nitro-2-(phenylmethyl)pentanoic acid small molecule experimental 269.2506 C12H15NO6 DB07485 Bisphenol Z small molecule experimental 843-55-0 268.3502 C18H20O2 DB07486 3-({4-[(1E)-3-morpholin-4-yl-3-oxoprop-1-en-1-yl]-2,3-bis(trifluoromethyl)phenyl}sulfanyl)aniline small molecule experimental 476.435 C21H18F6N2O2S DB07487 (6-METHYL-3,4-DIHYDRO-2H-CHROMEN-2-YL)METHYLPHOSPHINATE small molecule experimental 225.2008 C11H14O3P DB07488 {4-Amino-2-[(4-methoxyphenyl)amino]-1,3-thiazol-5-yl}(4-methoxyphenyl)methanone small molecule experimental 727685-49-6 355.411 C18H17N3O3S DB07489 4-Amino-2-[(3-chlorophenyl)amino]-5-(4-fluorobenzoyl)-1,3-thiazol-3-ium small molecule experimental 348.802 C16H12ClFN3OS DB07490 2-[1-(4-CHLORO-PHENYL)-ETHYL]-4,6-DINITRO-PHENOL small molecule experimental 322.701 C14H11ClN2O5 DB07491 5-amino-2,4,6-tribromobenzene-1,3-dicarboxylic acid small molecule experimental 417.834 C8H4Br3NO4 DB07492 Bromamphenicol small molecule experimental 16803-75-1 412.031 C11H12Br2N2O5 DB07493 5-Bromoindirubin small molecule experimental 60874-72-8 341.159 C16H9BrN2O2 DB07494 (3-EXO)-3-(10,11-DIHYDRO-5H-DIBENZO[A,D][7]ANNULEN-5-YLOXY)-8,8-DIMETHYL-8-AZONIABICYCLO[3.2.1]OCTANE small molecule experimental 348.5011 C24H30NO DB07495 5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-N-ETHYL-4-(4-METHOXYPHENYL)-1H-PYRAZOLE-3-CARBOXAMIDE small molecule experimental 387.817 C19H18ClN3O4 DB07496 1,3-diphenylurea small molecule experimental 102-07-8 212.2472 C13H12N2O DB07497 5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL small molecule experimental 228.311 C10H16N2O2S DB07498 4-[3-(3-NITROPHENYL)-1,2,4-OXADIAZOL-5-YL]BUTANOIC ACID small molecule experimental 277.2328 C12H11N3O5 DB07499 N-(4-{[amino(imino)methyl]amino}butyl)-2,4'-bi-1,3-thiazole-4-carboxamide small molecule experimental 324.425 C12H16N6OS2 DB07500 (2E)-1-[2-hydroxy-4-methoxy-5-(3-methylbut-2-en-1-yl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one small molecule experimental 338.397 C21H22O4 DB07501 (2S)-1-{4-[(4-Anilino-5-bromo-2-pyrimidinyl)amino]phenoxy}-3-(dimethylamino)-2-propanol small molecule experimental 458.352 C21H24BrN5O2 DB07502 4-bromo-6-(6-hydroxy-1,2-benzisoxazol-3-yl)benzene-1,3-diol small molecule experimental 322.111 C13H8BrNO4 DB07503 (5E)-5-[(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL)METHYLENE]-1,3-THIAZOLIDINE-2,4-DIONE small molecule experimental 285.224 C11H5F2NO4S DB07504 (2R)-1-{4-[(4-Anilino-5-bromo-2-pyrimidinyl)amino]phenoxy}-3-(dimethylamino)-2-propanol small molecule experimental 458.352 C21H24BrN5O2 DB07505 N-({(3R,4R)-4-[(benzyloxy)methyl]pyrrolidin-3-yl}methyl)-N-(2-methylpropyl)benzenesulfonamide small molecule experimental 416.577 C23H32N2O3S DB07506 L-BENZYLSUCCINIC ACID small molecule experimental 208.2106 C11H12O4 DB07507 2-(4-hydroxybiphenyl-3-yl)-4-methyl-1H-isoindole-1,3(2H)-dione small molecule experimental 329.3487 C21H15NO3 DB07508 4-(5-BENZENESULFONYLAMINO-1-METHYL-1H-BENZOIMIDAZOL-2-YLMETHYL)-BENZAMIDINE small molecule experimental 419.499 C22H21N5O2S DB07509 difluoro(5-{2-[(5-octyl-1H-pyrrol-2-yl-kappaN)methylidene]-2H-pyrrol-5-yl-kappaN}pentanoato)boron small molecule experimental 404.302 C22H31BF2N2O2 DB07510 3-fluoro-6-(4-fluorophenyl)-2-hydroxy-6-oxohexa-2,4-dienoic acid small molecule experimental 254.1863 C12H8F2O4 DB07511 4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzonitrile small molecule experimental 262.2628 C16H10N2O2 DB07512 7-[(3-CHLOROBENZYL)OXY]-2-OXO-2H-CHROMENE-4-CARBALDEHYDE small molecule experimental 314.72 C17H11ClO4 DB07513 7-[(3-CHLOROBENZYL)OXY]-4-[(METHYLAMINO)METHYL]-2H-CHROMEN-2-ONE small molecule experimental 329.778 C18H16ClNO3 DB07514 3-(2-aminoquinazolin-6-yl)-1-(3,3-dimethylindolin-6-yl)-4-methylpyridin-2(1H)-one small molecule experimental 397.4723 C24H23N5O DB07515 1-(2-{[(6-amino-2-methylpyridin-3-yl)methyl]amino}ethyl)-6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1,4-dihydropyrazin-2-ol small molecule experimental 457.948 C20H30ClF2N7O DB07516 (2Z,4E)-3-chloro-2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid small molecule experimental 252.65 C12H9ClO4 DB07517 3-CARBOXY-4-METHYL-5-PROPYL-2-FURANPROPIONIC small molecule experimental 240.2524 C12H16O5 DB07518 (2R)-2-ETHYL-1-HEXANESULFONIC ACID small molecule experimental 210.291 C8H18O4S DB07519 (6R)-2-amino-6-[2-(3'-methoxybiphenyl-3-yl)ethyl]-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one small molecule experimental 351.4421 C21H25N3O2 DB07520 N-[1-(AMINOMETHYL)CYCLOPROPYL]-3-(MORPHOLIN-4-YLSULFONYL)-N~2~-[(1S)-2,2,2-TRIFLUORO-1-(4-FLUOROPHENYL)ETHYL]-L-ALANINAMIDE small molecule experimental 482.493 C19H26F4N4O4S DB07521 (3Z,6S)-6-Chloro-1-(2-{[(5-chloro-1-benzothiophen-3-yl)methyl]amino}ethyl)-3-({2-[(2R)-2-piperidinyl]ethyl}imino)-2-piperazinol small molecule experimental 484.485 C22H31Cl2N5OS DB07522 N-[(2R,3S)-3-AMINO-2-HYDROXY-4-PHENYLBUTYL]NAPHTHALENE-2-SULFONAMIDE small molecule experimental 370.465 C20H22N2O3S DB07524 N-phenyl-1H-pyrrolo[2,3-b]pyridin-3-amine small molecule experimental 209.2465 C13H11N3 DB07525 3-(3-methoxybenzyl)-1H-pyrrolo[2,3-b]pyridine small molecule experimental 238.2845 C15H14N2O DB07526 N-[4-({[5-(DIMETHYLAMINO)-1-NAPHTHYL]SULFONYL}AMINO)BUTYL]-3-SULFANYLPROPANAMIDE small molecule experimental 409.566 C19H27N3O3S2 DB07527 N-[(2R,3S)-3-AMINO-2-HYDROXY-4-PHENYLBUTYL]-4-METHOXY-2,3,6-TRIMETHYLBENZENESULFONAMIDE small molecule experimental 392.512 C20H28N2O4S DB07528 3-(2-aminoquinazolin-6-yl)-4-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2(1H)-one small molecule experimental 396.3652 C21H15F3N4O DB07529 (5E)-2-Amino-5-(2-pyridinylmethylene)-1,3-thiazol-4(5H)-one small molecule experimental 205.236 C9H7N3OS DB07530 (1R,3R)-5-[(2E)-3-{(1S,3R)-2,2,3-trimethyl-3-[6,6,6-trifluoro-5-hydroxy-5-(trifluoromethyl)hex-3-yn-1-yl]cyclopentyl}prop-2-en-1-ylidene]cyclohexane-1,3-diol small molecule experimental 482.4995 C24H32F6O3 DB07531 4-{5-[(Z)-(2,4-DIOXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}BENZENESULFONAMIDE small molecule experimental 350.37 C14H10N2O5S2 DB07532 N-hexanoyl-L-homoserine small molecule experimental 217.2622 C10H19NO4 DB07533 4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]-2-FURYL}-N-METHYLBENZENESULFONAMIDE small molecule experimental 363.411 C15H13N3O4S2 DB07534 4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}BENZENESULFONAMIDE small molecule experimental 349.385 C14H11N3O4S2 DB07535 2-amino-6-[2-(1H-indol-6-yl)ethyl]pyrimidin-4(3H)-one small molecule experimental 254.2872 C14H14N4O DB07536 N-{(1S,2R)-2-hydroxy-1-[(hydroxyamino)carbonyl]propyl}-4-{[4-(morpholin-4-ylmethyl)phenyl]ethynyl}benzamide small molecule experimental 437.4883 C24H27N3O5 DB07537 N'-(6-aminopyridin-3-yl)-N-(2-cyclopentylethyl)-4-methyl-benzene-1,3-dicarboxamide small molecule experimental 366.4567 C21H26N4O2 DB07538 4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}-2-(TRIFLUOROMETHYL)BENZENESULFONAMIDE small molecule experimental 417.383 C15H10F3N3O4S2 DB07539 4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}BENZOIC ACID small molecule experimental 314.316 C15H10N2O4S DB07540 4-{5-[(1Z)-1-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)ETHYL]-2-FURYL}BENZENESULFONAMIDE small molecule experimental 363.411 C15H13N3O4S2 DB07541 4-(dihydroxyboranyl)-2-({[4-(phenylsulfonyl)thiophen-2-yl]sulfonyl}amino)benzoic acid small molecule experimental 467.301 C17H14BNO8S3 DB07542 5-AMINO-6-CYCLOHEXYL-4-HYDROXY-2-ISOBUTYL-HEXANOIC ACID small molecule experimental 285.4222 C16H31NO3 DB07543 (S)-carazolol small molecule experimental 78859-33-3 298.3795 C18H22N2O2 DB07544 N'-(5-CHLOROBENZOFURAN-2-CARBONYL)-2-(TRIFLUOROMETHYL)BENZENESULFONOHYDRAZIDE small molecule experimental 418.775 C16H10ClF3N2O4S DB07545 N-{3-[(4-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-2-YL)AMINO]PHENYL}CYCLOPROPANECARBOXAMIDE small molecule experimental 413.3957 C21H18F3N5O DB07546 [1-(6-{6-[(1-methylethyl)amino]-1H-indazol-1-yl}pyrazin-2-yl)-1H-pyrrol-3-yl]acetic acid small molecule experimental 376.4118 C20H20N6O2 DB07547 5-(4-CYANOPHENYL)-3-{[(2-METHYLPHENYL)SULFONYL]AMINO}THIOPHENE-2-CARBOXYLIC ACID small molecule experimental 398.455 C19H14N2O4S2 DB07548 2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUORO-6-PYRIDINYL)METHYL]ACETAMIDE small molecule experimental 432.3991 C20H19F3N6O2 DB07549 2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUORO-3-METHYL-6-PYRIDINYL)METHYL]ACETAMIDE small molecule experimental 448.4415 C21H23F3N6O2 DB07550 2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(1-OXIDO-2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUOROPHENYL)METHYL]ACETAMIDE small molecule experimental 467.829 C20H17ClF3N5O3 DB07551 (2S)-2-{[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino}-2-methylbutanenitrile small molecule experimental 254.719 C10H15ClN6 DB07552 (2R)-2-{[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino}-2-methylbutanenitrile small molecule experimental 254.719 C10H15ClN6 DB07553 9,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDE small molecule experimental 301.3041 C15H18F3NO2 DB07555 Hydroxy(oxo)(2-{(1S)-2,2,2-trifluoro-1-[2-(trimethylarsonio)ethoxy]ethyl}phenyl)ammonium small molecule experimental 369.2117 C13H19AsF3NO3 DB07556 CGS-27023 small molecule experimental 161314-70-1 393.457 C18H23N3O5S DB07557 3,20-Pregnanedione small molecule experimental 128-23-4 316.4776 C21H32O2 DB07558 acetylleucyl-leucyl-norleucinal small molecule experimental 110044-82-1 383.5255 C20H37N3O4 DB07559 (2Z)-2-cyano-N-(2,2'-dichlorobiphenyl-4-yl)-3-hydroxybut-2-enamide small molecule experimental 347.195 C17H12Cl2N2O2 DB07560 N-[(1S)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamide small molecule experimental 303.3993 C17H25N3O2 DB07561 (2Z)-2-cyano-N-(3'-ethoxybiphenyl-4-yl)-3-hydroxybut-2-enamide small molecule experimental 322.3578 C19H18N2O3 DB07562 N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-N',N'-DIMETHYL-BENZENE-1,4-DIAMINE small molecule experimental 325.431 C17H19N5S DB07563 1-{7-cyclohexyl-6-[4-(4-methylpiperazin-1-yl)benzyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl}methanamine small molecule experimental 418.5777 C25H34N6 DB07564 6-amino-2-[(2-morpholin-4-ylethyl)amino]-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one small molecule experimental 329.3571 C15H19N7O2 DB07567 (2R,3R,4S)-3-(4-HYDROXYPHENYL)-4-METHYL-2-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]CHROMAN-6-OL small molecule experimental 445.55 C28H31NO4 DB07568 (2S)-2-[(2,1,3-BENZOTHIADIAZOL-4-YLSULFONYL)AMINO]-2-PHENYL-N-PYRIDIN-4-YLACETAMIDE small molecule experimental 425.484 C19H15N5O3S2 DB07569 CIS-4-METHYL-N-[(1S)-3-(METHYLSULFANYL)-1-(PYRIDIN-4-YLCARBAMOYL)PROPYL]CYCLOHEXANECARBOXAMIDE small molecule experimental 349.491 C18H27N3O2S DB07570 3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL-2-OXOETHYL)-2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID small molecule experimental 446.5381 C27H30N2O4 DB07571 N~2~-[(BENZYLOXY)CARBONYL]-N-[(1S,2S)-2-HYDROXY-1-(4-HYDROXYBENZYL)PROPYL]-L-LEUCINAMIDE small molecule experimental 428.5213 C24H32N2O5 DB07572 3-{[(4-methylphenyl)sulfonyl]amino}propyl pyridin-4-ylcarbamate small molecule experimental 349.405 C16H19N3O4S DB07573 (2S)-1-(2,5-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol small molecule experimental 265.348 C15H23NO3 DB07574 2-MERCAPTO-N-[1,2,3,10-TETRAMETHOXY-9-OXO-5,6,7,9-TETRAHYDRO-BENZO[A]HEPTALEN-7-YL]ACETAMIDE small molecule experimental 431.502 C22H25NO6S DB07575 2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANE small molecule experimental 270.3694 C17H22N2O DB07577 2,4-Diamino-5-phenyl-6-ethylpyrimidine small molecule experimental 27653-49-2 214.2664 C12H14N4 DB07578 CP-94707 small molecule experimental 343250-05-5 372.443 C21H16N4OS DB07579 Bis-1,2-{[(Z)-2-carboxy-2-methyl-1,3-dioxane]-5-yloxycarbamoyl}-ethane small molecule experimental 436.37 C16H24N2O12 DB07580 BIS-1,2-{[(Z)-2CARBOXY-2-METHYL-1,3-DIOXANE]-5-YLOXYCARBONYL}-PIPERAZINE small molecule experimental 462.4052 C18H26N2O12 DB07581 5-AMINO-6-CYCLOHEXYL-4-HYDROXY-2-ISOPROPYL-HEXANOIC ACID small molecule experimental 271.3957 C15H29NO3 DB07582 N-[(2R,3S)-1-((2S)-2-{[(CYCLOPENTYLAMINO)CARBONYL]AMINO}-3-METHYLBUTANOYL)-2-(1-FORMYL-1-CYCLOBUTYL)PYRROLIDINYL]CYCLOPROPANECARBOXAMIDE small molecule experimental 446.5829 C24H38N4O4 DB07583 (4R,2S)-5'-(4-(4-CHLOROBENZYLOXY)PYRROLIDIN-2-YLMETHANESULFONYL)ISOQUINOLINE small molecule experimental 431.936 C21H22ClN3O3S DB07584 N-[2-(5-methyl-4H-1,2,4-triazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine small molecule experimental 291.3106 C15H13N7 DB07585 5-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine small molecule experimental 274.709 C12H11ClN6 DB07586 5-(4-METHYL-BENZOYLAMINO)-BIPHENYL-3,4'-DICARBOXYLIC ACID 3-DIMETHYLAMIDE-4'-HYDROXYAMIDE small molecule experimental 417.4571 C24H23N3O4 DB07587 N-(1-CYANOCYCLOPROPYL)-3-({[(2S)-5-OXOPYRROLIDIN-2-YL]METHYL}SULFONYL)-N~2~-[(1S)-2,2,2-TRIFLUORO-1-(4-FLUOROPHENYL)ETHYL]-L-ALANINAMIDE small molecule experimental 490.472 C20H22F4N4O4S DB07588 3,4-DI-1H-INDOL-3-YL-1H-PYRROLE-2,5-DICARBOXYLIC ACID small molecule experimental 385.3722 C22H15N3O4 DB07589 N-[1-(AMINOMETHYL)CYCLOPROPYL]-3-(BENZYLSULFONYL)-N~2~-[(1S)-2,2,2-TRIFLUORO-1-(4-HYDROXYPHENYL)ETHYL]-L-ALANINAMIDE small molecule experimental 485.52 C22H26F3N3O4S DB07590 S-[3-(3,4-DICHLOROPHENYL)-3-OXOPROPYL]-L-CYSTEINE small molecule experimental 322.208 C12H13Cl2NO3S DB07591 N1-CYCLOPENTYL-N2-(THIAZOL-2-YL)OXALAMIDE small molecule experimental 239.294 C10H13N3O2S DB07592 (2R)-3-Methyl-1-phenyl-2-butanyl [(2S)-1-oxo-2-hexanyl]carbamate small molecule experimental 305.4119 C18H27NO3 DB07593 1-(PHENYLMETHYL)CYCLOPENTYL[(1S)-1-FORMYLPENTYL]CARBAMATE small molecule experimental 317.4226 C19H27NO3 DB07594 CCT-018159 small molecule experimental 171009-07-7 352.3838 C20H20N2O4 DB07595 (5Z)-5-(3-BROMOCYCLOHEXA-2,5-DIEN-1-YLIDENE)-N-(PYRIDIN-4-YLMETHYL)-1,5-DIHYDROPYRAZOLO[1,5-A]PYRIMIDIN-7-AMINE small molecule experimental 381.249 C18H15BrN5 DB07596 (17beta)-17-(cyanomethyl)-2-methoxyestra-1(10),2,4-trien-3-yl sulfamate small molecule experimental 404.523 C21H28N2O4S DB07597 CIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-1-OL small molecule experimental 163.2163 C10H13NO DB07598 2,3,6A,7,8,9-HEXAHYDRO-11H-[1,4]DIOXINO[2,3-G]PYRROLO[2,1-B][1,3]BENZOXAZIN-11-ONE small molecule experimental 247.2466 C13H13NO4 DB07599 [(2-AMINO-ALPHA-METHOXYIMINO-4-THIAZOLYLACETYL)AMINO]METHYLBORONIC ACID small molecule experimental 258.063 C7H11BN4O4S DB07601 4-chloro-6-{5-[(2-morpholin-4-ylethyl)amino]-1,2-benzisoxazol-3-yl}benzene-1,3-diol small molecule experimental 389.833 C19H20ClN3O4 DB07602 S-{3-[(4-ANILINOQUINAZOLIN-6-YL)AMINO]-3-OXOPROPYL}-L-CYSTEINE small molecule experimental 411.477 C20H21N5O3S DB07603 N-hexanoyl-L-homocysteine small molecule experimental 233.328 C10H19NO3S DB07604 (6AR,11AS,11BR)-10-ACETYL-9-HYDROXY-7,7-DIMETHYL-2,6,6A,7,11A,11B-HEXAHYDRO-11H-PYRROLO[1',2':2,3]ISOINDOLO[4,5,6-CD]INDOL-11-ONE small molecule experimental 336.3844 C20H20N2O3 DB07605 2-({4-[(5-CHLORO-1H-INDOL-2-YL)SULFONYL]PIPERAZIN-1-YL}CARBONYL)THIENO[3,2-B]PYRIDINE 4-OXIDE small molecule experimental 476.956 C20H17ClN4O4S2 DB07606 6-(3,4-DIHYDROXYBENZYL)-3-ETHYL-1-(2,4,6-TRICHLOROPHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4(5H)-ONE small molecule experimental 465.717 C20H15Cl3N4O3 DB07607 4-[5-(3-IODO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-1H-IMIDAZOL-4-YL]-PYRIDINE small molecule experimental 485.341 C21H16IN3OS DB07608 N-(5-{[(2S)-4-amino-2-(3-chlorophenyl)butanoyl]amino}-1H-indazol-3-yl)benzamide small molecule experimental 447.917 C24H22ClN5O2 DB07609 N,N-DIMETHYL(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE small molecule experimental 202.2524 C12H14N2O DB07610 1,2-Dihydroxynaphthalene small molecule experimental 574-00-5 160.1693 C10H8O2 DB07611 DECANE-1-THIOL small molecule experimental 174.347 C10H22S DB07612 6-(3-AMINOPHENYL)-N-(TERT-BUTYL)-2-(TRIFLUOROMETHYL)QUINAZOLIN-4-AMINE small molecule experimental 360.3762 C19H19F3N4 DB07613 3-phenyl-5-(1H-pyrazol-3-yl)isoxazole small molecule experimental 211.2194 C12H9N3O DB07614 PHENYL-5-(1H-PYRAZOL-3-YL)-1,3-THIAZOLE small molecule experimental 227.285 C12H9N3S DB07616 4-{[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino}-2-hydroxybenzoic acid small molecule experimental 344.36 C17H13FN2O3S DB07617 N-METHYL(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE small molecule experimental 188.2258 C11H12N2O DB07618 2-(4-(AMINOMETHYL)PIPERIDIN-1-YL)-N-(3_CYCLOHEXYL-4-OXO-2,4-DIHYDROINDENO[1,2-C]PYRAZOL-5-YL)ACETAMIDE small molecule experimental 421.5352 C24H31N5O2 DB07619 N-cyclopropyl-N-(trans-4-pyridin-3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide small molecule experimental 432.4786 C24H27F3N2O2 DB07620 2-[(2,4-DICHLORO-5-METHYLPHENYL)SULFONYL]-1,3-DINITRO-5-(TRIFLUOROMETHYL)BENZENE small molecule experimental 459.181 C14H7Cl2F3N2O6S DB07621 (5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE small molecule experimental 174.1992 C10H10N2O DB07622 1-(3-(2,4-DIMETHYLTHIAZOL-5-YL)-4-OXO-2,4-DIHYDROINDENO[1,2-C]PYRAZOL-5-YL)-3-(4-METHYLPIPERAZIN-1-YL)UREA small molecule experimental 437.518 C21H23N7O2S DB07623 4,4'-DIPYRIDYL DISULFIDE small molecule experimental 220.314 C10H8N2S2 DB07624 1-{[(3R)-3-methyl-4-({4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]phenyl}sulfonyl)piperazin-1-yl]methyl}cyclopropanecarboxamide small molecule experimental 449.488 C19H26F3N3O4S DB07625 4-(2-aminoethoxy)-N-(2,5-diethoxyphenyl)-3,5-dimethylbenzamide small molecule experimental 372.458 C21H28N2O4 DB07626 4-(2-aminoethoxy)-N-(3-chloro-2-ethoxy-5-piperidin-1-ylphenyl)-3,5-dimethylbenzamide small molecule experimental 445.982 C24H32ClN3O3 DB07627 (2S)-4-METHYL-2-(3-PHENYLTHIOUREIDO)-N-((3S)-TETRAHYDRO-2-HYDROXY-3-FURANYL)PENTANAMIDE small molecule experimental 351.464 C17H25N3O3S DB07628 6-(2-fluorobenzyl)-2,4-dimethyl-4,6-dihydro-5H-thieno[2',3':4,5]pyrrolo[2,3-d]pyridazin-5-one small molecule experimental 327.376 C17H14FN3OS DB07629 N-((1R,2S)-2-(5-CHLORO-1H-INDOLE-2-CARBOXAMIDO)CYCLOHEXYL)-5-METHYL-4,5,6,7-TETRAHYDROTHIAZOLO[5,4-C]PYRIDINE-2-CARBOXAMIDE small molecule experimental 472.003 C23H26ClN5O2S DB07630 N-((1R,2R)-2-(5-CHLORO-1H-INDOLE-2-CARBOXAMIDO)CYCLOHEXYL)-5-METHYL-4,5,6,7-TETRAHYDROTHIAZOLO[5,4-C]PYRIDINE-2-CARBOXAMIDE small molecule experimental 472.003 C23H26ClN5O2S DB07631 Lauryldimethylbetaine small molecule experimental 683-10-3 271.4387 C16H33NO2 DB07632 5-(2-chlorophenyl)-1,3,4-thiadiazole-2-sulfonamide small molecule experimental 275.735 C8H6ClN3O2S2 DB07633 octyl 3-deoxy-2-O-(6-deoxy-alpha-L-galactopyranosyl)-beta-D-xylo-hexopyranoside small molecule experimental 422.5103 C20H38O9 DB07634 (2,6-Dimethylphenoxy)acetic acid small molecule experimental 13335-71-2 180.2005 C10H12O3 DB07635 4,4'-Dihydroxybenzophenone small molecule experimental 611-99-4 214.2167 C13H10O3 DB07636 5-Heptyl-6-hydroxy-1,3-benzothiazole-4,7-dione small molecule experimental 611207-02-4 279.35 C14H17NO3S DB07637 Dibromotyrosine small molecule experimental 300-38-9 338.981 C9H9Br2NO3 DB07638 (3AS,4R,9BR)-2,2-DIFLUORO-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL small molecule experimental 318.3146 C18H16F2O3 DB07639 3-(7-DIAMINOMETHYL-NAPHTHALEN-2-YL)-PROPIONIC ACID ETHYL ESTER small molecule experimental 433.5426 C26H31N3O3 DB07640 2-decyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione small molecule experimental 322.4391 C19H30O4 DB07641 Decyl(dimethyl)phosphine oxide small molecule experimental 2190-95-6 218.3159 C12H27OP DB07642 5-{[1-(2-fluorobenzyl)piperidin-4-yl]methoxy}quinazoline-2,4-diamine small molecule experimental 381.4466 C21H24FN5O DB07643 5-{[1-(2,3-dichlorobenzyl)piperidin-4-yl]methoxy}quinazoline-2,4-diamine small molecule experimental 432.346 C21H23Cl2N5O DB07644 5-[(1S)-1-(3-chlorophenyl)ethoxy]quinazoline-2,4-diamine small molecule experimental 314.77 C16H15ClN4O DB07645 Sebacic acid small molecule experimental 111-20-6 202.2475 C10H18O4 DB07646 UNDECYLAMINE-N,N-DIMETHYL-N-OXIDE small molecule experimental 215.3755 C13H29NO DB07647 (2R)-1-[(5,6-DIPHENYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)AMINO]PROPAN-2-OL small molecule experimental 344.4097 C21H20N4O DB07648 (2R)-3-{[(4Z)-5,6-DIPHENYL-6,7-DIHYDRO-4H-PYRROLO[2,3-D]PYRIMIDIN-4-YLIDENE]AMINO}PROPANE-1,2-DIOL small molecule experimental 360.4091 C21H20N4O2 DB07649 (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(benzylsulfanyl)methyl]pyrrolidin-3-ol small molecule experimental 369.484 C19H23N5OS DB07650 Decyl formate small molecule experimental 5451-52-5 186.2912 C11H22O2 DB07651 N-ACETYL-L-PHENYLALANYL-4-[DIFLUORO(PHOSPHONO)METHYL]-L-PHENYLALANINAMIDE small molecule experimental 483.4023 C21H24F2N3O6P DB07652 1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO-5-METHYL-BENZENE-5'MONOPHOSPHATE small molecule experimental 324.2145 C12H15F2O6P DB07653 N-(5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN-4-YL)GLYCINE small molecule experimental 345.3514 C20H15N3O3 DB07654 (5,6-DIPHENYL-FURO[2,3-D]PYRIMIDIN-4-YLAMINO)-ACETIC small molecule experimental 345.3945 C21H19N3O2 DB07655 3-AMINO-3-BENZYL-[4.3.0]BICYCLO-1,6-DIAZANONAN-2-ONE small molecule experimental 330.3831 C20H18N4O DB07657 PHOSPHONIC ACID 2-DODECANOYLAMINO-HEXYL ESTER PROPYL ESTER small molecule experimental 423.5243 C20H42NO6P DB07658 AC-(D)Phe-pro-borolys-OH small molecule experimental 432.322 C21H33BN4O5 DB07659 AC-(D)PHE-PRO-BOROHOMOLYS-OH small molecule experimental 446.348 C22H35BN4O5 DB07660 AC-(D)PHE-PRO-BOROHOMOORNITHINE-OH small molecule experimental 418.295 C20H31BN4O5 DB07661 1,6-Naphthalenediol small molecule experimental 575-44-0 160.1693 C10H8O2 DB07662 PD-168393 small molecule experimental 194423-15-9 369.215 C17H13BrN4O DB07663 2-[(1R)-1-CARBOXY-2-(4-HYDROXYPHENYL)ETHYL]-1,3-DIOXOISOINDOLINE-5-CARBOXYLIC ACID small molecule experimental 355.2983 C18H13NO7 DB07664 K-00546 small molecule experimental 443798-47-8 425.436 C15H13F2N7O2S2 DB07665 N-[2-(carbamimidamidooxy)ethyl]-2-{6-cyano-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-fluorophenyl}acetamide small molecule experimental 435.403 C19H20F3N7O2 DB07666 (3R,4S)-1-{6-[3-(METHYLSULFONYL)PHENYL]PYRIMIDIN-4-YL}-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN-3-AMINE small molecule experimental 448.461 C21H19F3N4O2S DB07667 2-((3',5'-DIMETHYL-4'-HYDROXYPHENYL)AZO)BENZOIC ACID small molecule experimental 270.2833 C15H14N2O3 DB07668 3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)-2-METHYL-PROPIONIC ACID small molecule experimental 249.3056 C14H19NO3 DB07669 2,3-Dimethyl-1,4-naphthoquinone small molecule experimental 2197-57-1 186.2066 C12H10O2 DB07670 N,4-Dimethyl-N-(1-phenyl-1H-pyrazol-5-yl)benzenesulfonamide small molecule experimental 374632-71-0 327.401 C17H17N3O2S DB07671 2-[1-METHYLHEXYL]-4,6-DINITROPHENOL small molecule experimental 282.2924 C13H18N2O5 DB07672 TRANS-2-(DIMETHYLPHENYLSILYL)-PIPERIDINE-N-OXIDE small molecule experimental 249.424 C14H23NOSi DB07673 (2S)-2-Methyl-3-phenylpropanoic acid small molecule experimental 14367-54-5 164.2011 C10H12O2 DB07674 O,O-DIETHYL HYDROGEN THIOPHOSPHATE small molecule experimental 170.167 C4H11O3PS DB07675 (2S)-2-ETHOXY-3-{4-[2-(10H-PHENOXAZIN-10-YL)ETHOXY]PHENYL}PROPANOIC ACID small molecule experimental 419.4697 C25H25NO5 DB07676 3-({[(3S)-3,4-dihydroxybutyl]oxy}amino)-1H,2'H-2,3'-biindol-2'-one small molecule experimental 365.3826 C20H19N3O4 DB07677 2-methyl-3,5,7,8-tetrahydro-4H-thiopyrano[4,3-d]pyrimidin-4-one small molecule experimental 182.243 C8H10N2OS DB07678 (9ALPHA,13BETA,17BETA)-2-[(1Z)-BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-3,17-DIOL small molecule experimental 326.4724 C22H30O2 DB07679 (9S,12S)-9-(1-methylethyl)-7,10-dioxo-2-oxa-8,11-diazabicyclo[12.2.2]octadeca-1(16),14,17-triene-12-carboxylic acid small molecule experimental 362.4201 C19H26N2O5 DB07680 [(1S)-1-(5-CHLORO-1-BENZOTHIEN-3-YL)-2-(2-NAPHTHYLAMINO)-2-OXOETHYL]PHOSPHONIC ACID small molecule experimental 431.829 C20H15ClNO4PS DB07681 DODECANESULFONATE ION small molecule experimental 249.39 C12H25O3S DB07683 N-(dibenzo[b,d]thiophen-3-ylsulfonyl)-L-valine small molecule experimental 363.451 C17H17NO4S2 DB07684 5-(DIMETHYLAMINO)-2-NAPHTHALENESULFONIC ACID small molecule experimental 251.302 C12H13NO3S DB07685 4-{[5-(CYCLOHEXYLMETHOXY)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO}BENZENESULFONAMIDE small molecule experimental 402.471 C18H22N6O3S DB07686 4-{[5-(CYCLOHEXYLAMINO)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO}BENZENESULFONAMIDE small molecule experimental 387.459 C17H21N7O2S DB07687 4-({5-[(4-AMINOCYCLOHEXYL)AMINO][1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL}AMINO)BENZENESULFONAMIDE small molecule experimental 402.474 C17H22N8O2S DB07688 4-{[5-(CYCLOHEXYLOXY)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO}BENZENESULFONAMIDE small molecule experimental 388.444 C17H20N6O3S DB07689 METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-6-YL)METHYL]AMINO}BENZOYL)PIPERIDINE-4-CARBOXYLATE small molecule experimental 436.4671 C21H24N8O3 DB07691 2-({[3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)phenyl]carbonyl}amino)benzoic acid small molecule experimental 436.48 C23H20N2O5S DB07692 1-[(2,6-difluorophenyl)sulfonyl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine small molecule experimental 460.472 C18H18F2N2O6S2 DB07693 N-(3,5-dibromo-4-hydroxyphenyl)-2,6-dimethylbenzamide small molecule experimental 399.077 C15H13Br2NO2 DB07694 2,5-dichloro-N-(3,5-dibromo-4-hydroxyphenyl)benzamide small molecule experimental 439.914 C13H7Br2Cl2NO2 DB07695 N-(3,5-dibromo-4-hydroxyphenyl)-4-hydroxy-3,5-dimethylbenzamide small molecule experimental 415.077 C15H13Br2NO3 DB07696 methyl (3S)-3-[(tert-butoxycarbonyl)amino]-4-oxopentanoate small molecule experimental 245.2723 C11H19NO5 DB07697 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[(4-methoxyphenyl)sulfonyl]piperazine small molecule experimental 454.517 C19H22N2O7S2 DB07698 3-(3-aminophenyl)-N-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-amine small molecule experimental 335.79 C18H14ClN5 DB07700 3-carboxamido-1,3,5(10)-estratrien-17(R)-spiro-2'(5',5'-dimethyl-6'oxo)tetrahydropyran small molecule experimental 395.5344 C25H33NO3 DB07701 1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON-2-YL)METHYL]PIPERIDINE small molecule experimental 379.492 C24H29NO3 DB07702 17alpha-Estriol small molecule experimental 1228-72-4 288.3814 C18H24O3 DB07703 (3R,4S,5S,7R,9E,11R,12R)-12-ETHYL-4-HYDROXY-3,5,7,11-TETRAMETHYLOXACYCLODODEC-9-ENE-2,8-DIONE small molecule experimental 296.4018 C17H28O4 DB07704 6-AMINO-4-[2-(4-METHOXYPHENYL)ETHYL]-1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE small molecule experimental 335.3599 C18H17N5O2 DB07705 (S)-econazole small molecule experimental 73094-37-8 381.684 C18H15Cl3N2O DB07706 2-Hydroxyestradiol small molecule experimental 362-05-0 288.3814 C18H24O3 DB07707 (9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-11-(METHOXYMETHYL)ESTRA-1(10),2,4-TRIENE-3,17-DIOL small molecule experimental 316.4345 C20H28O3 DB07708 3-CHLORO-2-(4-HYDROXYPHENYL)-2H-INDAZOL-5-OL small molecule experimental 260.676 C13H9ClN2O2 DB07710 PHENYLALANYLAMINODI(ETHYLOXY)ETHYL BENZENESULFONAMIDEAMINOCARBONYLBENZENESULFONAMIDE small molecule experimental 478.562 C22H30N4O6S DB07711 (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-2-ol small molecule experimental 277.3653 C14H23N5O DB07712 3-ETHYL-2-(4-HYDROXYPHENYL)-2H-INDAZOL-5-OL small molecule experimental 254.2839 C15H14N2O2 DB07713 (1S)-1-{[(4'-methoxy-1,1'-biphenyl-4-yl)sulfonyl]amino}-2-methylpropylphosphonic acid small molecule experimental 399.398 C17H22NO6PS DB07714 6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-2-YL)HEXANOIC ACID small molecule experimental 286.3224 C17H18O4 DB07716 (4Z)-2,8:7,12:11,15:14,18:17,22-PENTAANHYDRO-4,5,6,9,10,13,19,20,21-NONADEOXY-D-ARABINO-D-ALLO-D-ALLO-DOCOSA-4,9,20-TRIENITOL small molecule experimental 422.4688 C22H30O8 DB07717 (5S,8R,9S,10S,13R,14S,17S)-13-{2-[(3,5-DIFLUOROBENZYL)OXY]ETHYL}-17-HYDROXY-10-METHYLHEXADECAHYDRO-3H-CYCLOPENTA[A]PHENANTHREN-3-ONE small molecule experimental 446.5697 C27H36F2O3 DB07718 4-Hydroxyphenylpyruvic acid small molecule experimental 156-39-8 180.1574 C9H8O4 DB07719 [(3R)-3-(Methylcarbamoyl)-2-{[(2-methyl-2-propanyl)oxy]carbonyl}-1,2,3,4-tetrahydro-7-isoquinolinyl]sulfamic acid small molecule experimental 385.435 C16H23N3O6S DB07720 Epibatidine small molecule experimental 140111-52-0 208.687 C11H13ClN2 DB07721 DIETHYL 4-METHOXYPHENYL PHOSPHATE small molecule experimental 260.2234 C11H17O5P DB07722 3-(4-NITRO-PHENOXY)-PROPAN-1-OL small molecule experimental 197.1879 C9H11NO4 DB07723 3-(5-methoxy-1H-indol-3-yl)propanoic acid small molecule experimental 219.2365 C12H13NO3 DB07724 Indeglitazar small molecule experimental 835619-41-5 389.422 C19H19NO6S DB07726 t-Butylhydroquinone small molecule experimental 1948-33-0 166.217 C10H14O2 DB07728 2-[2-(2-FLUOROPHENYL)PYRIDIN-4-YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE small molecule experimental 307.3217 C18H14FN3O DB07729 3-fluoro-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide small molecule experimental 283.2605 C14H10FN5O DB07730 5-(3-HYDROXYPHENYL)ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE small molecule experimental 225.221 C9H7NO4S DB07731 CAN-508 small molecule experimental 140651-18-9 218.2153 C9H10N6O DB07732 2-[(2-NAPHTHYLSULFONYL)AMINO]ETHYL DIHYDROGEN PHOSPHATE small molecule experimental 331.281 C12H14NO6PS DB07733 1-METHYL-3-TRIFLUOROMETHYL-1H-THIENO[2,3-C]PYRAZOLE-5-CARBOXYLIC ACID (2-MERCAPTO-ETHYL)-AMIDE small molecule experimental 309.331 C10H10F3N3OS2 DB07734 N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide small molecule experimental 292.44 C16H24N2OS DB07735 N-[1-(2,6-dimethoxybenzyl)piperidin-4-yl]-4-sulfanylbutanamide small molecule experimental 352.492 C18H28N2O3S DB07736 (2S)-4-(4-fluorobenzyl)-N-(2-sulfanylethyl)piperazine-2-carboxamide small molecule experimental 297.392 C14H20FN3OS DB07737 (2S)-4-(4-fluorobenzyl)-N-(3-sulfanylpropyl)piperazine-2-carboxamide small molecule experimental 311.418 C15H22FN3OS DB07738 N-[1-(5-bromo-2,3-dimethoxybenzyl)piperidin-4-yl]-4-sulfanylbutanamide small molecule experimental 431.388 C18H27BrN2O3S DB07739 (3R)-3-(FLUOROMETHYL)-7-(THIOMORPHOLIN-4-YLSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE small molecule experimental 330.441 C14H19FN2O2S2 DB07740 (7R,12R,13R)-13-formyl-12,14-dihydroxy-3,5,7-trimethyltetradeca-2,4-dienoic acid small molecule experimental 326.4278 C18H30O5 DB07741 4-(1R,3AS,4R,8AS,8BR)-[1-DIFLUOROMETHYL-2-(4-FLUOROBENZYL)-3-OXODECAHYDROPYRROLO[3,4-A]PYRROLIZIN-4-YL]BENZAMIDINE small molecule experimental 444.4926 C24H27F3N4O DB07742 N-(2,3-DIFLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE small molecule experimental 326.318 C14H12F2N2O3S DB07743 S-[5-(TRIFLUOROMETHYL)-4H-1,2,4-TRIAZOL-3-YL] 5-(PHENYLETHYNYL)FURAN-2-CARBOTHIOATE small molecule experimental 363.314 C16H8F3N3O2S DB07744 Z-Val-Ala-Asp fluoromethyl ketone small molecule experimental 161401-82-7 453.467 C21H28FN3O7 DB07745 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE small molecule experimental 329.1664 C10H11F3NO6P DB07746 3-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}-2-METHYLBENZOIC ACID small molecule experimental 337.366 C16H16FNO4S DB07747 (3R)-N-(4-CHLOROPHENYL)-3-(HYDROXYMETHYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE small molecule experimental 352.836 C16H17ClN2O3S DB07748 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE small molecule experimental 365.22 C9H11F3NO7PS DB07749 2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1-FORMYL-2-PHENYL-ETHYL)-AMIDE small molecule experimental 304.3841 C17H24N2O3 DB07750 (2R)-1-[4-({4-[(2,5-Dichlorophenyl)amino]-2-pyrimidinyl}amino)phenoxy]-3-(dimethylamino)-2-propanol small molecule experimental 448.346 C21H23Cl2N5O2 DB07751 (2S)-1-[4-({6-[(2,6-Difluorophenyl)amino]-4-pyrimidinyl}amino)phenoxy]-3-(dimethylamino)-2-propanol small molecule experimental 415.4364 C21H23F2N5O2 DB07753 3',5'-DIFLUOROBIPHENYL-4-CARBOXYLIC ACID small molecule experimental 234.1982 C13H8F2O2 DB07754 DCFBC small molecule experimental 564482-79-7 402.395 C16H19FN2O7S DB07755 (2S)-1-[4-({4-[(2,5-Dichlorophenyl)amino]-2-pyrimidinyl}amino)phenoxy]-3-(dimethylamino)-2-propanol small molecule experimental 448.346 C21H23Cl2N5O2 DB07756 1-[3-({[(4-AMINO-5-FLUORO-2-METHYLQUINOLIN-3-YL)METHYL]THIO}METHYL)PHENYL]-2,2,2-TRIFLUOROETHANE-1,1-DIOL small molecule experimental 426.428 C20H18F4N2O2S DB07757 (9aS)-4-bromo-9a-butyl-7-hydroxy-1,2,9,9a-tetrahydro-3H-fluoren-3-one small molecule experimental 335.236 C17H19BrO2 DB07758 5-(2,5-DICHLOROPHENYL)-2-FUROIC ACID small molecule experimental 257.07 C11H6Cl2O3 DB07759 5-[2-(TRIFLUOROMETHYL)PHENYL]-2-FUROIC ACID small molecule experimental 256.1774 C12H7F3O3 DB07760 3-[(1E,7E)-8-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-3,6-dioxa-2,7-diazaocta-1,7-dien-1-yl]benzoic acid small molecule experimental 346.2949 C15H14N4O6 DB07761 (2R)-1-[4-({6-[(2,6-Difluorophenyl)amino]-4-pyrimidinyl}amino)phenoxy]-3-(dimethylamino)-2-propanol small molecule experimental 415.4364 C21H23F2N5O2 DB07762 4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACID small molecule experimental 292.3303 C15H20N2O4 DB07763 (5S)-3-ANILINO-5-(2,4-DIFLUOROPHENYL)-5-METHYL-1,3-OXAZOLIDINE-2,4-DIONE small molecule experimental 318.2749 C16H12F2N2O3 DB07764 Fluorescin small molecule experimental 518-44-5 334.3222 C20H14O5 DB07765 METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-6-YL)METHYL](METHYL)AMINO}BENZOYL)PIPERIDINE-4-CARBOXYLATE small molecule experimental 450.4936 C22H26N8O3 DB07766 (2Z,3E)-2,3'-biindole-2',3(1H,1'H)-dione 3-{O-[(3R)-3,4-dihydroxybutyl]oxime} small molecule experimental 365.3826 C20H19N3O4 DB07767 Ferulic acid small molecule experimental 1135-24-6 194.184 C10H10O4 DB07768 Epitestosterone small molecule experimental 481-30-1 288.4244 C19H28O2 DB07769 S-3-(4-FLUOROPHENOXY)-2-HYDROXY-2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE small molecule experimental 402.2971 C17H14F4N2O5 DB07770 5-(4-FLUOROPHENYL)-3-{[(4-METHYLPHENYL)SULFONYL]AMINO}THIOPHENE-2-CARBOXYLIC ACID small molecule experimental 391.436 C18H14FNO4S2 DB07771 [(3,7,11-TRIMETHYL-DODECA-2,6,10-TRIENYLOXYCARBAMOYL)-METHYL]-PHOSPHONIC ACID small molecule experimental 359.3976 C17H30NO5P DB07772 (1R)-1-{[(4'-methoxy-1,1'-biphenyl-4-yl)sulfonyl]amino}-2-methylpropylphosphonic acid small molecule experimental 399.398 C17H22NO6PS DB07773 5-FLUOROINDOLE PROPANOL PHOSPHATE small molecule experimental 273.1974 C11H13FNO4P DB07775 3',5'-DIBROMO-2',4,4',6'-TETRAHYDROXY AURONE small molecule experimental 444.028 C15H8Br2O6 DB07776 Flavone small molecule approved 525-82-6 222.2387 C15H10O2 DB07778 (S)-famoxadone small molecule experimental 132584-12-4 374.3893 C22H18N2O4 DB07779 N-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN-2-YL}METHYL)BENZAMIDE small molecule experimental 383.4591 C22H26FN3O2 DB07780 Farnesyl diphosphate small molecule experimental 13058-04-3 382.33 C15H28O7P2 DB07781 N-[[3-FLUORO-4-ETHOXY-PYRID-2-YL]ETHYL]-N'-[5-NITRILOMETHYL-PYRIDYL]-THIOUREA small molecule experimental 345.395 C16H16FN5OS DB07782 4-AMINO-2-TRIFLUOROMETHYL-5-HYDROXYMETHYLPYRIMIDINE PYROPHOSPHATE small molecule experimental 353.0864 C6H8F3N3O7P2 DB07783 1-((1R)-1-(HYDROXYMETHYL)-3-{6-[(3-PHENYLPROPANOYL)AMINO]-1H-INDOL-1-YL}PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE small molecule experimental 445.5136 C25H27N5O3 DB07784 [4-(4-ACETYLAMINO-PHENYL)-3,5-DIOXO-4-AZA-TRICYCLO[5.2.2.0 2,6]UNDEC-1-YLCARBAMOYLOXY]-ACETIC ACID small molecule experimental 429.4232 C21H23N3O7 DB07785 1-{(1R,2S)-2-HYDROXY-1-[2-(2-NAPHTHYLOXY)ETHYL]PROPYL}-1H-IMIDAZONE-4-CARBOXAMIDE small molecule experimental 339.3883 C19H21N3O3 DB07786 1-((1R,2S)-1-{2-[2-(4-CHLOROPHENYL)-1,3-BENZOXAZOL-7-YL]ETHYL}-2-HYDROXYPROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE small molecule experimental 424.88 C22H21ClN4O3 DB07787 5-FLUORO-1-[4-(4-PHENYL-3,6-DIHYDROPYRIDIN-1(2H)-YL)BUTYL]QUINAZOLINE-2,4(1H,3H)-DIONE small molecule experimental 393.454 C23H24FN3O2 DB07788 (3R,5Z,8S,9S,11E)-8,9,16-TRIHYDROXY-14-METHOXY-3-METHYL-3,4,9,10-TETRAHYDRO-1H-2-BENZOXACYCLOTETRADECINE-1,7(8H)-DIONE small molecule experimental 362.3738 C19H22O7 DB07789 1-[5-Methyl-2-(trifluoromethyl)furan-3-yl]-3-[5-[2-[[6-(1H-1,2,4-triazol-5-ylamino)pyrimidin-4-yl]amino]ethyl]-1,3-thiazol-2-yl]urea small molecule experimental 494.454 C18H17F3N10O2S DB07790 N-(2-METHOXYETHYL)-4-({4-[2-METHYL-1-(1-METHYLETHYL)-1H-IMIDAZOL-5-YL]PYRIMIDIN-2-YL}AMINO)BENZENESULFONAMIDE small molecule experimental 430.524 C20H26N6O3S DB07791 4-{[4-(1-CYCLOPROPYL-2-METHYL-1H-IMIDAZOL-5-YL)PYRIMIDIN-2-YL]AMINO}-N-METHYLBENZENESULFONAMIDE small molecule experimental 384.455 C18H20N6O2S DB07792 (S)-2-CHLORO-N-(1-(2-(2-HYDROXYETHYLAMINO)-2-OXOETHYL)-2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-3-YL)-6H-THIENO[2,3-B]PYRROLE-5-CARBOXAMIDE small molecule experimental 446.907 C20H19ClN4O4S DB07793 (2S)-N-[(3S)-1-(2-AMINO-2-OXOETHYL)-2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-3-YL]-2-CHLORO-2H-THIENO[2,3-B]PYRROLE-5-CARBOXAMIDE small molecule experimental 402.855 C18H15ClN4O3S DB07794 5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-3-AMINE small molecule experimental 327.3427 C18H13N7 DB07795 Fisetin small molecule experimental 528-48-3 286.2363 C15H10O6 DB07796 (3ASR,4RS,8ASR,8BRS)-4-(2-(4-FLUOROBENZYL)-1,3-DIOXODEACAHYDROPYRROLO[3,4-A] PYRROLIZIN-4-YL)BENZAMIDINE small molecule experimental 407.4607 C23H24FN4O2 DB07797 N-[[3-FLUORO-4-ETHOXY-PYRID-2-YL]ETHYL]-N'-[5-CHLORO-PYRIDYL]-THIOUREA small molecule experimental 354.83 C15H16ClFN4OS DB07798 (3R)-3-(FLUOROMETHYL)-N-(3,3,3-TRIFLUOROPROPYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE small molecule experimental 340.337 C13H16F4N2O2S DB07800 N-(2-(((5-CHLORO-2-PYRIDINYL)AMINO)SULFONYL)PHENYL)-4-(2-OXO-1(2H)-PYRIDINYL)BENZAMIDE small molecule experimental 480.923 C23H17ClN4O4S DB07801 N-butyl-3-{[6-(9H-purin-6-ylamino)hexanoyl]amino}benzamide small molecule experimental 423.5114 C22H29N7O2 DB07802 3,8-DIBROMO-7-HYDROXY-4-METHYL-2H-CHROMEN-2-ONE small molecule experimental 333.961 C10H6Br2O3 DB07803 2-phenyl-1H-imidazole-4-carboxylic acid small molecule experimental 77498-98-7 188.1827 C10H8N2O2 DB07804 5-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1H-1,2,4-TRIAZOLE-3-SULFONAMIDE small molecule experimental 488.969 C17H21ClN6O5S2 DB07805 3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE small molecule experimental 279.686 C12H13ClF3NO DB07806 (2R,4S)-2-[(R)-BENZYLCARBAMOYL-PHENYLACETYL-METHYL]-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID small molecule experimental 441.543 C23H27N3O4S DB07807 (3R,4R,5R)-5-(HYDROXYMETHYL)-1-(3-PHENYLPROPYL)PIPERIDINE-3,4-DIOL small molecule experimental 265.348 C15H23NO3 DB07808 (1S,2R)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropanecarboxylic acid small molecule experimental 241.1909 C11H9F2NO3 DB07809 4-({[4-(3-METHYLBENZOYL)PYRIDIN-2-YL]AMINO}METHYL)BENZENECARBOXIMIDAMIDE small molecule experimental 344.4097 C21H20N4O DB07810 Phloretin small molecule experimental 60-82-2 274.2687 C15H14O5 DB07811 N-cyclopropyl-2',6-dimethyl-4'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-3-carboxamide small molecule experimental 347.4103 C21H21N3O2 DB07812 N-[(1S)-2-amino-1-phenylethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide small molecule experimental 362.448 C20H18N4OS DB07813 GLYCYLALANYL-N-2-NAPHTHYL-L-PROLINEAMIDE small molecule experimental 368.4296 C20H24N4O3 DB07814 Gibberellic acid small molecule experimental 77-06-5 346.3744 C19H22O6 DB07815 Gibberellin A4 small molecule experimental 468-44-0 332.3909 C19H24O5 DB07816 N-(P-CYANOPHENYL)-N'-DIPHENYLMETHYL-GUANIDINE-ACETIC ACID small molecule experimental 384.4305 C23H20N4O2 DB07817 1-{3-[(4-pyridin-2-ylpiperazin-1-yl)sulfonyl]phenyl}-3-(1,3-thiazol-2-yl)urea small molecule experimental 444.531 C19H20N6O3S2 DB07818 (2E)-3-(2,4-DICHLOROPHENYL)-N-HYDROXYACRYLAMIDE small molecule experimental 232.063 C9H7Cl2NO2 DB07819 (2E)-3-(4-CHLOROPHENYL)-N-HYDROXYACRYLAMIDE small molecule experimental 197.618 C9H8ClNO2 DB07820 6-(3',5'-DIMETHYLBENZYL)-1-ETHOXYMETHYL-5-ISOPROPYLURACIL small molecule experimental 330.4213 C19H26N2O3 DB07821 (1R)-1,2,2-trimethylpropyl (R)-methylphosphinate small molecule experimental 164.1824 C7H17O2P DB07823 (2S)-2-[(3aR,4R,7S,7aS)-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl]propanoic acid small molecule experimental 237.2518 C12H15NO4 DB07824 4-ethyl-5-methyl-2-(1H-tetrazol-5-yl)-1,2-dihydro-3H-pyrazol-3-one small molecule experimental 194.1939 C7H10N6O DB07825 (3S)-1-(4-acetylphenyl)-5-oxopyrrolidine-3-carboxylic acid small molecule experimental 247.2466 C13H13NO4 DB07826 2-[4-chloro-2-(phenylcarbonyl)phenoxy]-N-phenylacetamide small molecule experimental 365.81 C21H16ClNO3 DB07827 4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLPROP-1-YN-1-YL)-1,4-DIHYDROQUINAZOLIN-3(2H)-YL]METHYL}BENZOIC ACID small molecule experimental 424.448 C26H20N2O4 DB07829 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE small molecule experimental 239.2477 C14H10FN3 DB07830 (4R,5R)-5-AMINO-1-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN-2-ONE small molecule experimental 392.3717 C20H19F3N2O3 DB07831 2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3-YL)METHYL]AMINO}-N-[4-PROPYL-3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE small molecule experimental 429.4349 C23H22F3N3O2 DB07832 4-{4-[(5-hydroxy-2-methylphenyl)amino]quinolin-7-yl}-1,3-thiazole-2-carbaldehyde small molecule experimental 361.417 C20H15N3O2S DB07833 N-(3-cyanophenyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)-4-biphenylcarboxamide small molecule experimental 394.4253 C24H18N4O2 DB07834 N-(cyclopropylmethyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-carboxamide small molecule experimental 347.4103 C21H21N3O2 DB07835 N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-6-methylbiphenyl-3,4'-dicarboxamide small molecule experimental 348.4382 C22H24N2O2 DB07836 1-DECYL-3-TRIFLUORO ETHYL-SN-GLYCERO-2-PHOSPHOMETHANOL small molecule experimental 408.3907 C16H32F3O6P DB07837 [4-(5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]acetic acid small molecule experimental 378.4226 C25H18N2O2 DB07838 (Z)-3-BENZYL-5-(2-HYDROXY-3-NITROBENZYLIDENE)-2-THIOXOTHIAZOLIDIN-4-ONE small molecule experimental 372.418 C17H12N2O4S2 DB07839 N~2~-1,3-BENZOXAZOL-2-YL-3-CYCLOHEXYL-N-{2-[(4-METHOXYPHENYL)AMINO]ETHYL}-L-ALANINAMIDE small molecule experimental 436.5466 C25H32N4O3 DB07840 (E)-[4-(3,5-Difluorophenyl)-3H-pyrrolo[2,3-b]pyridin-3-ylidene](3-methoxyphenyl)methanol small molecule experimental 364.352 C21H14F2N2O2 DB07841 Geranylgeranyl diphosphate small molecule experimental 450.449 C20H36O7P2 DB07842 (2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid small molecule experimental 270.323 C17H18O3 DB07843 5-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1-BENZOTHIOPHENE-2-SULFONAMIDE small molecule experimental 471.978 C19H22ClN3O5S2 DB07844 6-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1-BENZOTHIOPHENE-2-SULFONAMIDE small molecule experimental 471.978 C19H22ClN3O5S2 DB07845 2-fluoro-6-{[2-({2-methoxy-4-[(methylsulfonyl)methyl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide small molecule experimental 484.503 C22H21FN6O4S DB07846 (3,4,8b-Trimethyl-3-oxido-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-3-ium-7-yl) N-(2-ethylphenyl)carbamate small molecule experimental 381.4681 C22H27N3O3 DB07847 6-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-(4-MORPHOLINYL)-2-OXO ETHYL]-2-OXO-3-PYRROLIDINYL}-2-NAPHTHALENESULFONAMIDE small molecule experimental 465.95 C21H24ClN3O5S DB07848 5-Chloro-N-{(3S)-1-[(2S)-1-(4-morpholinyl)-1-oxo-2-propanyl]-2-oxo-3-pyrrolidinyl}-1H-indole-2-sulfonamide small molecule experimental 454.928 C19H23ClN4O5S DB07849 S-NONYL-CYSTEINE small molecule experimental 247.397 C12H25NO2S DB07850 (1R,2S)-2-(5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)cyclohexanecarboxylic acid small molecule experimental 227.283 C9H13N3O2S DB07851 (3R,4S)-1-(3,4-DIMETHOXYPHENYL)-3-(3-METHYLPHENYL)PIPERIDIN-4-AMINE small molecule experimental 326.4326 C20H26N2O2 DB07852 1-(3,5-DICHLOROPHENYL)-5-METHYL-1H-1,2,4-TRIAZOLE-3-CARBOXYLIC ACID small molecule experimental 272.087 C10H7Cl2N3O2 DB07853 2-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]iminocyclohexa-2,5-dien-1-yl]acetonitrile small molecule experimental 381.4332 C22H19N7 DB07854 N-METHYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINE small molecule experimental 239.2758 C13H13N5 DB07855 (S)-1-PHENYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINE small molecule experimental 301.3452 C18H15N5 DB07856 6-{4-[4-(4-CHLOROPHENYL)PIPERIDIN-4-YL]PHENYL}-9H-PURINE small molecule experimental 389.881 C22H20ClN5 DB07857 (2R)-2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine small molecule experimental 297.782 C17H16ClN3 DB07858 (2S)-2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine small molecule experimental 297.782 C17H16ClN3 DB07859 4-(4-CHLOROPHENYL)-4-[4-(1H-PYRAZOL-4-YL)PHENYL]PIPERIDINE small molecule experimental 337.846 C20H20ClN3 DB07860 (2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINE small molecule experimental 231.721 C14H14ClN DB07861 (2R)-N-hydroxy-3-naphthalen-2-yl-2-[(naphthalen-2-ylsulfonyl)amino]propanamide small molecule experimental 420.481 C23H20N2O4S DB07862 7-(1-ETHYL-PROPYL)-7H-PYRROLO-[3,2-F]QUINAZOLINE-1,3-DIAMINE small molecule experimental 269.3449 C15H19N5 DB07863 2-chloro-5-nitro-N-phenylbenzamide small molecule experimental 276.675 C13H9ClN2O3 DB07864 4-[(CYCLOPROPYLETHYNYL)OXY]-6-FLUORO-3-ISOPROPYLQUINOLIN-2(1H)-ONE small molecule experimental 285.3128 C17H16FNO2 DB07865 3-(1H-tetrazol-5-ylamino)cyclohex-2-en-1-one small molecule experimental 179.1793 C7H9N5O DB07866 (5S)-2-(Cyclooctylamino)-5-methyl-5-propyl-1,3-thiazol-4(5H)-one small molecule experimental 282.445 C15H26N2OS DB07867 6-CHLORO-4-(CYCLOHEXYLOXY)-3-PROPYLQUINOLIN-2(1H)-ONE small molecule experimental 319.826 C18H22ClNO2 DB07868 6-CHLORO-4-(CYCLOHEXYLSULFANYL)-3-PROPYLQUINOLIN-2(1H)-ONE small molecule experimental 335.891 C18H22ClNOS DB07869 6-Chloro-4-[(R)-cyclohexylsulfinyl]-3-propyl-2(1H)-quinolinone small molecule experimental 351.891 C18H22ClNO2S DB07870 Haloxyfop-P small molecule experimental 95977-29-0 361.7 C15H11ClF3NO4 DB07871 6-CHLORO-4-(CYCLOHEXYLOXY)-3-ISOPROPYLQUINOLIN-2(1H)-ONE small molecule experimental 319.826 C18H22ClNO2 DB07872 5-chloro-N-[(3R)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)pyrrolidin-3-yl]thiophene-2-carboxamide small molecule experimental 474.936 C22H20ClFN4O3S DB07873 Lauryl alcohol diphosphonic acid small molecule experimental 16610-63-2 346.294 C12H28O7P2 DB07874 (6S)-2-amino-6-(3'-methoxybiphenyl-3-yl)-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one small molecule experimental 323.3889 C19H21N3O2 DB07875 5-Chloro-thiophene-2-carboxylic acid ((3S,4S)-1-{[2-fluoro-4-(2-oxo-2H-pyridin-1-yl)-phenylcarbamoyl]-methyl}-4-hydroxy-pyrrolidin-3-yl)-amide small molecule experimental 490.935 C22H20ClFN4O4S DB07876 (S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE small molecule experimental 319.422 C16H21N3O2S DB07877 8-(6-BROMO-BENZO[1,3]DIOXOL-5-YLSULFANYL)-9-(3-ISOPROPYLAMINO-PROPYL)-ADENINE small molecule experimental 465.367 C18H21BrN6O2S DB07878 N-[(1S)-1-{1-[(1R,3E)-1-ACETYLPENT-3-EN-1-YL]-1H-1,2,3-TRIAZOL-4-YL}-1,2-DIMETHYLPROPYL]BENZAMIDE small molecule experimental 368.4726 C21H28N4O2 DB07879 N-hydroxy-5-[(3-phenyl-5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)carbonyl]thiophene-2-carboxamide small molecule experimental 368.41 C18H16N4O3S DB07880 2-((4'-HYDROXYPHENYL)-AZO)BENZOIC ACID small molecule experimental 242.2301 C13H10N2O3 DB07881 N-{[2-({[1-(4-CARBOXYBUTANOYL)AMINO]-2-PHENYLETHYL}-HYDROXYPHOSPHINYL)OXY]ACETYL}-2-PHENYLETHYLAMINE small molecule experimental 476.4593 C23H29N2O7P DB07882 4-{4-[2-(1A,7A-DIMETHYL-4-OXY-OCTAHYDRO-1-OXA-4-AZA-CYCLOPROPA[A]NAPHTHALEN-4-YL) -ACETYLAMINO]-PHENYLCARBAMOYL}-BUTYRIC ACID small molecule experimental 459.5353 C24H33N3O6 DB07883 (2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT-2-YL)-PHENYL-METHANONE small molecule experimental 291.3868 C20H21NO DB07884 Opaviraline small molecule experimental 178040-94-3 280.2948 C14H17FN2O3 DB07887 (R)-1-(4-(4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl)benzyl)guanidine small molecule experimental 249.074 C11H16BN3O3 DB07888 3-(4-HYDROXYPHENYL)-4,5-DIHYDRO-5-ISOXAZOLE-ACETIC ACID METHYL ESTER small molecule experimental 235.2359 C12H13NO4 DB07889 (2S)-1-(Dimethylamino)-3-(4-{[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyrimidinyl]amino}phenoxy)-2-propanol small molecule experimental 418.4915 C23H26N6O2 DB07890 4-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACID small molecule experimental 260.247 C10H13O4PS DB07891 Estradiol hemisuccinate small molecule experimental 7698-93-3 372.4547 C22H28O5 DB07892 1-(2-HYDROXYETHYLOXYMETHYL)-6-PHENYL THIOTHYMINE small molecule experimental 308.353 C14H16N2O4S DB07893 PHENYL[1-(N-SUCCINYLAMINO)PENTYL]PHOSPHONATE small molecule experimental 343.312 C15H22NO6P DB07894 4-(2-HYDROXY-4-FLUOROPHENYLTHIO)-BUTYLPHOSPHONIC ACID small molecule experimental 278.237 C10H12FO4PS DB07895 ALPHA-HYDROXYFARNESYLPHOSPHONIC ACID small molecule experimental 308.3939 C15H33O4P DB07896 (2S)-hydroxy(4-hydroxyphenyl)ethanoic acid small molecule experimental 168.1467 C8H8O4 DB07897 1-(HYDROXYMETHYLENEAMINO)-8-HYDROXY-OCTANE small molecule experimental 175.2685 C9H21NO2 DB07898 (2R)-3-[(tetrahydroxyphosphoranyl)oxy]-1,2-propanediyl dibutanoate small molecule experimental 330.2687 C11H23O9P DB07899 (2S) N-acetyl-L-alanyl-ฆมL-phenylalanyl-chloroethylketone small molecule experimental 324.803 C16H21ClN2O3 DB07900 3-FORMYL-2-HYDROXY-5-METHYL-HEXANOIC ACID HYDROXYAMIDE small molecule experimental 189.209 C8H15NO4 DB07901 5-CHLORO-6-METHYL-N-(2-PHENYLETHYL)-2-PYRIDIN-2-YLPYRIMIDIN-4-AMINE small molecule experimental 324.807 C18H17ClN4 DB07902 TERT-BUTYL {2-[(1,3-THIAZOL-2-YLAMINO)CARBONYL]PYRIDIN-3-YL}CARBAMATE small molecule experimental 320.367 C14H16N4O3S DB07903 3-[(2,2-DIMETHYLPROPANOYL)AMINO]-N-1,3-THIAZOL-2-YLPYRIDINE-2-CARBOXAMIDE small molecule experimental 304.367 C14H16N4O2S DB07905 (1aR,8S,13S,14S,15aR)-5,13,14-trihydroxy-3-methoxy-8-methyl-8,9,13,14,15,15a-hexahydro-6H-oxireno[k][2]benzoxacyclotetradecine-6,12(1aH)-dione small molecule experimental 378.3732 C19H22O8 DB07906 [(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN-3-YL]METHANOL small molecule experimental 208.2139 C10H12N2O3 DB07907 (2S)-2-HYDROXYOCTANOIC ACID small molecule experimental 160.2108 C8H16O3 DB07908 7-HYDROXY-4-METHYL-3-(2-HYDROXY-ETHYL)COUMARIN small molecule experimental 220.2213 C12H12O4 DB07909 (1S,2S,5S)2-(4-GLUTARIDYLBENZYL)-5-PHENYL-1-CYCLOHEXANOL small molecule experimental 381.4648 C23H27NO4 DB07910 (2S)-2-amino-3-phenylpropane-1,1-diol small molecule experimental 167.205 C9H13NO2 DB07911 (3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE small molecule experimental 217.1975 C12H9O4 DB07912 2-OXOHEPTYLPHOSPHONIC ACID small molecule experimental 194.1654 C7H15O4P DB07913 HOMOPHENYLALANINYLMETHANE small molecule experimental 177.2429 C11H15NO DB07914 2-hydroxy-6-oxo-6-phenyl-2,4-hexadienoic acid small molecule experimental 50480-67-6 218.2054 C12H10O4 DB07915 (2E,4E)-2-Hydroxy-6-oxo-6-phenyl-2,4-hexadienoic acid small molecule experimental 218.2054 C12H10O4 DB07916 3-{6-[(8-HYDROXY-QUINOLINE-2-CARBONYL)-AMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}-4-OXO-BUTYRI ACID small molecule experimental 483.537 C24H25N3O6S DB07917 4-(BENZHYDRYLOXY)-1-[3-(1H-TETRAAZOL-5-YL)PROPYL]PIPERIDINE small molecule experimental 377.4827 C22H27N5O DB07918 2-heptyl-4-hydroxyquinoline N-oxide small molecule experimental 341-88-8 259.3434 C16H21NO2 DB07919 Harmine small molecule experimental 442-51-3 212.2472 C13H12N2O DB07920 N-oxo-2-[(4-phenylphenyl)sulfonylamino]ethanamide small molecule experimental 304.321 C14H12N2O4S DB07921 2-[(4-fluorophenyl)sulfonylamino]-N-oxo-ethanamide small molecule experimental 246.216 C8H7FN2O4S DB07922 N-oxo-2-(phenylsulfonylamino)ethanamide small molecule experimental 228.225 C8H8N2O4S DB07923 octyl alpha-L-altropyranoside small molecule experimental 292.3685 C14H28O6 DB07924 octyl beta-D-galactopyranoside small molecule experimental 292.3685 C14H28O6 DB07925 4-(2-HYDROXYPHENYLSULFINYL)-BUTYLPHOSPHONIC ACID small molecule experimental 278.262 C10H15O5PS DB07926 N-[3-(N'-HYDROXYCARBOXAMIDO)-2-(2-METHYLPROPYL)-PROPANOYL]-O-TYROSINE-N-METHYLAMIDE small molecule experimental 379.4507 C19H29N3O5 DB07927 3-[(4-Carboxy-2-hydroxyphenyl)sulfamoyl]-2-thiophenecarboxylic acid small molecule experimental 343.332 C12H9NO7S2 DB07928 N-(2-OXOTETRAHYDROFURAN-3-YL)OCTANAMIDE small molecule experimental 227.3 C12H21NO3 DB07929 N-(TERT-BUTYL)-3,5-DIMETHYL-N'-[(5-METHYL-2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)CARBONYL]BENZOHYDRAZIDE small molecule experimental 396.4794 C23H28N2O4 DB07930 (3R)-3-HYDROXYDODECANOIC ACID small molecule experimental 216.3172 C12H24O3 DB07932 dimethyl (1R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate small molecule experimental 394.3741 C22H18O7 DB07933 Erteberel small molecule experimental 533884-09-2 282.3337 C18H18O3 DB07934 [[CYCLOHEXANESULFONYL-GLYCYL]-3[PYRIDIN-4-YL-AMINOMETHYL]ALANYL]PIPERIDINE small molecule experimental 466.617 C22H36N5O4S DB07935 5-[(5-fluoro-3-methyl-1H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile small molecule experimental 292.2673 C16H9FN4O DB07936 N-(4-{[(3S)-3-(dimethylamino)pyrrolidin-1-yl]carbonyl}phenyl)-5-fluoro-4-[2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl]pyrimidin-2-amine small molecule experimental 451.5397 C24H30FN7O DB07937 2-butoxy-9-(2,6-difluorobenzyl)-N-(2-morpholin-4-ylethyl)-9H-purin-6-amine small molecule experimental 446.4935 C22H28F2N6O2 DB07938 (S)-iclaprim small molecule experimental 354.403 C19H22N4O3 DB07939 N-(3-MERCAPTOPROPANOYL)-D-ALANINE small molecule experimental 177.221 C6H11NO3S DB07940 9-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE small molecule experimental 414.2827 C20H19IN2 DB07942 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine small molecule experimental 257.2382 C14H9F2N3 DB07944 N-{3-METHYL-5-[2-(PYRIDIN-4-YLAMINO)-ETHOXY]-PHENYL}-BENZENESULFONAMIDE small molecule experimental 384.472 C20H22N3O3S DB07945 5-(3-carbamoylbenzyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-4-carboxylic acid small molecule experimental 362.4217 C22H22N2O3 DB07946 N-[2-({[amino(imino)methyl]amino}oxy)ethyl]-2-{6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl}acetamide small molecule experimental 443.851 C19H21ClF3N5O2 DB07947 ISOQUINOLINE-5-SULFONIC ACID (2-(2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE small molecule experimental 419.925 C20H22ClN3O3S DB07949 ({[(3E)-2'-Oxo-2',7'-dihydro-2,3'-biindol-3(7H)-ylidene]amino}oxy)acetic acid small molecule experimental 335.3135 C18H13N3O4 DB07950 Indoleacetic acid small molecule experimental 87-51-4 175.184 C10H9NO2 DB07951 N-(indole-3-acetyl)-L-aspartic acid small molecule experimental 2456-73-7 290.2714 C14H14N2O5 DB07952 N-[1H-INDOL-3-YL-ACETYL]GLYCINE ACID small molecule experimental 232.2353 C12H12N2O3 DB07953 N-[1H-INDOL-3-YL-ACETYL]VALINE ACID small molecule experimental 274.315 C15H18N2O3 DB07954 3-isobutyl-1-methyl-7H-xanthine small molecule experimental 28822-58-4 222.2438 C10H14N4O2 DB07955 (2-BROMOETHYL)(2-'FORMYL-4'-AMINOPHENYL) ACETATE small molecule experimental 286.122 C11H12BrNO3 DB07956 [1-(3-CHLORO-2-FORMYL-PHENYLCARBAMOYL)-2-METHYL-PROPYL]-CARBAMIC ACID TERT-BUTYL ESTER small molecule experimental 354.829 C17H23ClN2O4 DB07957 METHYL(2-ACETOXY-2-(2-CARBOXY-4-AMINO-PHENYL))ACETATE small molecule experimental 267.2347 C12H13NO6 DB07958 (2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDRO-INDOL-7-YL)ACETIC ACID small molecule experimental 274.315 C15H18N2O3 DB07959 3-(1H-BENZIMIDAZOL-2-YL)-1H-INDAZOLE small molecule experimental 234.256 C14H10N4 DB07960 5-ACETAMIDO-5,6-DIHYDRO-4-HYDROXY-6-ISOBUTOXY-4H-PYRAN-2-CARBOXYLIC ACID small molecule experimental 273.2824 C12H19NO6 DB07961 1-(4-Cyano-phenyl)-3-[2-(2,6-dichloro-phenyl)-1-imino-ethyl]-thiourea small molecule experimental 363.264 C16H12Cl2N4S DB07962 METHYL N-[(2',4'-DIFLUORO-4-HYDROXY-5-IODOBIPHENYL-3-YL)CARBONYL]-BETA-ALANINATE small molecule experimental 461.1986 C17H14F2INO4 DB07963 N-[(2',4'-DIFLUORO-4-HYDROXY-5-IODOBIPHENYL-3-YL)CARBONYL]-BETA-ALANINE small molecule experimental 447.1721 C16H12F2INO4 DB07964 (3S)-4-{[4-(BUT-2-YNYLOXY)PHENYL]SULFONYL}-N-HYDROXY-2,2-DIMETHYLTHIOMORPHOLINE-3-CARBOXAMIDE small molecule experimental 398.497 C17H22N2O5S2 DB07965 6-(cyclohexylamino)-9-[2-(4-methylpiperazin-1-yl)-ethyl]-9H-purine-2-carbonitrile small molecule experimental 368.4792 C19H28N8 DB07966 [4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl}amino)phenyl]acetonitrile small molecule experimental 381.4332 C22H19N7 DB07967 9-CYCLOPENTYL-6-[2-(3-IMIDAZOL-1-YL-PROPOXY)-PHENYLAMINO]-9H-PURINE-2-CARBONITRILE small molecule experimental 428.4897 C23H24N8O DB07968 N-(2-CHLORO-4-FLUOROBENZOYL)-N'-(5-HYDROXY-2-METHOXYPHENYL)UREA small molecule experimental 338.718 C15H12ClFN2O4 DB07969 3-[3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-5-yl]phenol small molecule experimental 388.3863 C20H19F3N4O DB07970 5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine-3-carboxamide small molecule experimental 414.3805 C21H17F3N4O2 DB07971 5-AMINO-2-{4-[(4-AMINOPHENYL)SULFANYL]PHENYL}-1H-ISOINDOLE-1,3(2H)-DIONE small molecule experimental 361.417 C20H15N3O2S DB07972 1-(3-METHYLPHENYL)-1H-BENZIMIDAZOL-5-AMINE small molecule experimental 223.2731 C14H13N3 DB07973 N-(1-ISOPROPYLPIPERIDIN-4-YL)-1-(3-METHOXYBENZYL)-1H-INDOLE-2-CARBOXAMIDE small molecule experimental 405.5325 C25H31N3O2 DB07974 1-{2-[(4-CHLOROPHENYL)AMINO]-2-OXOETHYL}-N-(1-ISOPROPYLPIPERIDIN-4-YL)-1H-INDOLE-2-CARBOXAMIDE small molecule experimental 452.976 C25H29ClN4O2 DB07975 2-({[3,5-DIFLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)CYCLOPENT-1-ENE-1-CARBOXYLIC ACID small molecule experimental 427.3215 C20H14F5NO4 DB07976 3-{[(3-FLUORO-3'-METHOXYBIPHENYL-4-YL)AMINO]CARBONYL}THIOPHENE-2-CARBOXYLIC ACID small molecule experimental 371.382 C19H14FNO4S DB07977 3-({[3,5-DIFLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)THIOPHENE-2-CARBOXYLIC ACID small molecule experimental 443.344 C19H10F5NO4S DB07978 2-({[2,3,5,6-TETRAFLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)CYCLOPENTA-1,3-DIENE-1-CARBOXYLIC ACID small molecule experimental 461.2865 C20H10F7NO4 DB07979 (2E)-3-(3,4-DIHYDROXYPHENYL)-2-IMINOPROPANOIC ACID small molecule experimental 195.1721 C9H9NO4 DB07981 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]-n-[(1R)-1-(hydroxymethyl)propyl]acetamide small molecule experimental 428.909 C23H25ClN2O4 DB07982 2-{4-[4-({4-[2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl]pyrimidin-2-yl}amino)phenyl]piperazin-1-yl}-2-oxoethanol small molecule experimental 435.5221 C23H29N7O2 DB07983 1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-3-ACETIC ACID small molecule experimental 449.2391 C19H16INO4 DB07984 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]-n-[(1S)-1-(hydroxymethyl)propyl]acetamide small molecule experimental 428.909 C23H25ClN2O4 DB07985 +/-METHYL 4-(AMINOIMINOMETHYL)-BETA-[3- INH (AMINOIMINO)PHENYL]BENZENE PENTANOATE small molecule experimental 352.4302 C20H24N4O2 DB07986 [4-(4-PHENYL-PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]-ACETIC ACID small molecule experimental 374.454 C19H22N2O4S DB07987 [2-(5-Mercapto-[1,3,4]thiadiazol-2-ylcarbamoyl)-1-phenyl-ethyl]-carbamic acid benzyl ester small molecule experimental 414.501 C19H18N4O3S2 DB07988 2-[3-(5-Mercapto-[1,3,4]thiadiazol-2yl)-ureido]-N-methyl-3-pentafluorophenyl-propionamide small molecule experimental 427.373 C13H10F5N5O2S2 DB07989 2-(ACETYL-HYDROXY-AMINO)-4-METHYL-PENTANOIC ACID METHYL ESTER small molecule experimental 203.2356 C9H17NO4 DB07990 (RP,SP)-O-(2R)-(1-PHENOXYBUT-2-YL)-METHYLPHOSPHONIC ACID CHLORIDE small molecule experimental 262.67 C11H16ClO3P DB07991 N-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]-2-(2-PHENYL-1H-INDOL-3-YL)ACETAMIDE small molecule experimental 398.4968 C26H26N2O2 DB07992 Indoxyl sulfate small molecule experimental 487-94-5 213.21 C8H7NO4S DB07993 N~3~-[3-(1H-INDOL-6-YL)BENZYL]PYRIDINE-2,3-DIAMINE small molecule experimental 314.3837 C20H18N4 DB07994 N~3~-[5-(1H-INDOL-6-YL)-2-(PYRIDIN-2-YLMETHOXY)BENZYL]PYRIDINE-2,3-DIAMINE small molecule experimental 421.4937 C26H23N5O DB07995 H-89 small molecule experimental 127243-85-0 446.361 C20H20BrN3O2S DB07996 5-(2-methylpiperazine-1-sulfonyl)isoquinoline small molecule experimental 84477-87-2 291.37 C14H17N3O2S DB07997 N-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDE small molecule experimental 265.331 C12H15N3O2S DB07999 {4-[(CARBOXYMETHOXY)CARBONYL]-3,3-DIOXIDO-1-OXONAPHTHO[1,2-D]ISOTHIAZOL-2(1H)-YL}ACETIC ACID small molecule experimental 393.325 C16H11NO9S DB08000 2-(CARBOXYMETHYL)-1-OXO-1,2-DIHYDRONAPHTHO[1,2-D]ISOTHIAZOLE-4-CARBOXYLIC ACID 3,3-DIOXIDE small molecule experimental 335.289 C14H9NO7S DB08001 5-(3-{3-[3-HYDROXY-2-(METHOXYCARBONYL)PHENOXY]PROPENYL}PHENYL)-4-(HYDROXYMETHYL)ISOXAZOLE-3-CARBOXYLIC ACID small molecule experimental 425.3882 C22H19NO8 DB08003 ISOTHIAZOLIDINONE ANALOG small molecule experimental 486.541 C23H26N4O6S DB08004 (2S)-2-{[3-(3-aminophenyl)imidazo[1,2-b]pyridazin-6-yl]amino}-3-methylbutan-1-ol small molecule experimental 311.3815 C17H21N5O DB08005 4-{[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-N-ethylpiperidine-1-carboxamide small molecule experimental 398.889 C20H23ClN6O DB08006 N-anthracen-2-yl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine small molecule experimental 325.3666 C20H15N5 DB08007 (2R)-3-{[(BENZYLAMINO)CARBONYL]AMINO}-2-HYDROXYPROPANOIC ACID small molecule experimental 238.2399 C11H14N2O4 DB08008 5-methyl-N-[4-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine small molecule experimental 293.2472 C13H10F3N5 DB08009 SU-11652 small molecule experimental 326914-10-7 414.928 C22H27ClN4O2 DB08010 (3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-[(E)-2-phenylethenyl]-1H-indole-2,3-dione 3-oxime small molecule experimental 430.4278 C25H19FN2O4 DB08011 (3E)-5-fluoro-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1H-indole-2,3-dione 3-oxime small molecule experimental 346.285 C17H12F2N2O4 DB08012 Pirodavir small molecule experimental 124436-59-5 369.4574 C21H27N3O3 DB08013 (METHYLPYRIDAZINE PIPERIDINE PROPYLOXYPHENYL)ETHYLACETATE small molecule experimental 383.484 C22H29N3O3 DB08014 (METHYLPYRIDAZINE PIPERIDINE BUTYLOXYPHENYL)ETHYLACETATE small molecule experimental 397.5105 C23H31N3O3 DB08015 (3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-phenyl-1H-indole-2,3-dione 3-oxime small molecule experimental 404.3905 C23H17FN2O4 DB08016 4-(6-CHLORO-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL) BUTYL PHOSPHATE small molecule experimental 298.617 C8H12ClN2O6P DB08017 3-METHOXY-6-[4-(3-METHYLPHENYL)-1-PIPERAZINYL]PYRIDAZINE small molecule experimental 284.3562 C16H20N4O DB08018 N-{(3S,4S)-4-[(6-AMINO-4-METHYLPYRIDIN-2-YL)METHYL]PYRROLIDIN-3-YL}-N'-(4-CHLOROBENZYL)ETHANE-1,2-DIAMINE small molecule experimental 373.923 C20H28ClN5 DB08019 N-{(3R,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-(3-chlorobenzyl)ethane-1,2-diamine small molecule experimental 373.923 C20H28ClN5 DB08020 (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-6-(METHOXYMETHYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL small molecule experimental 326.3863 C20H22O4 DB08021 5-bromo-N-(3-chloro-2-(4-(prop-2-ynyl)piperazin-1-yl)phenyl)furan-2-carboxamide small molecule experimental 422.703 C18H17BrClN3O2 DB08022 (2S)-1,3-benzothiazol-2-yl{2-[(2-pyridin-3-ylethyl)amino]pyrimidin-4-yl}ethanenitrile small molecule experimental 372.446 C20H16N6S DB08023 N-cyclohexyl-4-imidazo[1,2-a]pyridin-3-yl-N-methylpyrimidin-2-amine small molecule experimental 307.3928 C18H21N5 DB08024 1-[2-(S)-AMINO-3-BIPHENYL-4-YL-PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE small molecule experimental 323.432 C20H25N3O DB08025 N-{2'-[(4-FLUOROPHENYL)AMINO]-4,4'-BIPYRIDIN-2-YL}-4-METHOXYCYCLOHEXANECARBOXAMIDE small molecule experimental 420.4793 C24H25FN4O2 DB08026 2-{4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]piperidin-1-yl}-N-methylacetamide small molecule experimental 365.4322 C19H23N7O DB08027 CAP-1 small molecule experimental 564475-13-4 381.92 C18H24ClN3O2S DB08028 BUT-3-ENYL-[5-(4-CHLORO-PHENYL)-3,6-DIHYDRO-[1,3,4]THIADIAZIN-2-YLIDENE]-AMINE small molecule experimental 279.788 C13H14ClN3S DB08029 N~2~-(biphenyl-4-ylsulfonyl)-N-hydroxy-N~2~-(2-hydroxyethyl)glycinamide small molecule experimental 350.39 C16H18N2O5S DB08030 3-[(4'-cyanobiphenyl-4-yl)oxy]-N-hydroxypropanamide small molecule experimental 282.294 C16H14N2O3 DB08031 N-[(13-CYCLOHEXYL-6,7-DIHYDROINDOLO[1,2-D][1,4]BENZOXAZEPIN-10-YL)CARBONYL]-2-METHYL-L-ALANINE small molecule experimental 446.5381 C27H30N2O4 DB08032 N,N-DIETHYL-2-[(2-THIENYLCARBONYL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE small molecule experimental 362.509 C18H22N2O2S2 DB00764 Mometasone small molecule experimental 105102-22-5 427.361 C22H28Cl2O4 DB00815 Sodium lauryl sulfate small molecule experimental 151-21-3 288.379 C12H25NaO4S DB08033 (5R)-N,N-DIETHYL-5-METHYL-2-[(THIOPHEN-2-YLCARBONYL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE small molecule experimental 376.536 C19H24N2O2S2 DB08034 (E)-3,4-DIHYDROXY-N'-[(2-METHOXYNAPHTHALEN-1-YL)METHYLENE]BENZOHYDRAZIDE small molecule experimental 336.3413 C19H16N2O4 DB08035 1-TERT-BUTYL-3-(2,5-DIMETHYLBENZYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE small molecule experimental 309.4087 C18H23N5 DB08036 6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one small molecule experimental 311.3367 C20H13N3O DB08037 MK-0731 small molecule experimental 845256-65-7 459.5039 C25H28F3N3O2 DB08038 L-alanyl-N-[(1S,2R)-1-benzyl-2-hydroxypropyl]-L-alaninamide small molecule experimental 307.388 C16H25N3O3 DB08039 (3Z)-N,N-DIMETHYL-2-OXO-3-(4,5,6,7-TETRAHYDRO-1H-INDOL-2-YLMETHYLIDENE)-2,3-DIHYDRO-1H-INDOLE-5-SULFONAMIDE small molecule experimental 371.453 C19H21N3O3S DB08040 Kelatorphan small molecule experimental 92175-57-0 294.3031 C14H18N2O5 DB08041 3-BENZYLOXYCARBONYLAMINO-2-HYDROXY-4-PHENYL-BUTYRIC ACID small molecule experimental 329.3472 C18H19NO5 DB08042 N~4~-methyl-N~4~-(3-methyl-1H-indazol-6-yl)-N~2~-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine small molecule experimental 420.4644 C22H24N6O3 DB08043 1-[4-(PYRIDIN-4-YLOXY)PHENYL]-3-[3-(TRIFLUOROMETHYL)PHENYL]UREA small molecule experimental 373.3286 C19H14F3N3O2 DB08044 ABT-341 small molecule experimental 913623-69-5 445.3616 C19H17F6N5O DB08045 4-{4-[4-(3-AMINOPROPOXY)PHENYL]-1H-PYRAZOL-5-YL}-6-CHLOROBENZENE-1,3-DIOL small molecule experimental 359.807 C18H18ClN3O3 DB08046 2-chloro-5-[(1S)-1-hydroxy-3-oxo-2H-isoindol-1-yl]benzenesulfonamide small molecule experimental 1441368-51-9 338.766 C14H11ClN2O4S DB08047 4-[1-allyl-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol small molecule experimental 334.2925 C17H13F3N2O2 DB08048 4-(6-HYDROXY-1H-INDAZOL-3-YL)BENZENE-1,3-DIOL small molecule experimental 242.2301 C13H10N2O3 DB08049 7,8-dihydroxy-4-phenyl-2H-chromen-2-one small molecule experimental 254.2375 C15H10O4 DB08050 5-phenyl-2-keto-valeric acid small molecule experimental 192.2112 C11H12O3 DB08051 (2R)-4-(2-BENZOYL-1,2-DIAZEPAN-1-YL)-4-OXO-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE small molecule experimental 419.4401 C22H24F3N3O2 DB08052 PP-121 small molecule experimental 1092788-83-4 319.3638 C17H17N7 DB08053 1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine small molecule experimental 325.3651 C17H19N5O2 DB08054 1-(1-methylethyl)-3-quinolin-6-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine small molecule experimental 304.3491 C17H16N6 DB08055 N-(2-chlorophenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine small molecule experimental 320.776 C18H13ClN4 DB08056 N-(2,6-dimethylphenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine small molecule experimental 314.3837 C20H18N4 DB08057 N-(2-chloro-6-methylphenyl)-8-[(3S)-3-methylpiperazin-1-yl]imidazo[1,5-a]quinoxalin-4-amine small molecule experimental 406.911 C22H23ClN6 DB08058 4-[3-(1,4-diazepan-1-ylcarbonyl)-4-fluorobenzyl]phthalazin-1(2H)-one small molecule experimental 380.4154 C21H21FN4O2 DB08059 Wortmannin small molecule experimental 19545-26-7 428.4319 C23H24O8 DB08060 4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID small molecule experimental 193.1992 C10H11NO3 DB08061 4-[3-(4-CHLOROPHENYL)-1H-PYRAZOL-5-YL]PIPERIDINE small molecule experimental 261.75 C14H16ClN3 DB08062 3-(4-CHLOROPHENYL)-5-(METHYLTHIO)-4H-1,2,4-TRIAZOLE small molecule experimental 225.698 C9H8ClN3S DB08063 1-BENZYL-3-(4-METHOXYPHENYLAMINO)-4-PHENYLPYRROLE-2,5-DIONE small molecule experimental 384.4272 C24H20N2O3 DB08064 N-(3-TERT-BUTYL-1H-PYRAZOL-5-YL)-N'-{4-CHLORO-3-[(PYRIDIN-3-YLOXY)METHYL]PHENYL}UREA small molecule experimental 399.874 C20H22ClN5O2 DB08065 2-(1H-pyrazol-3-yl)-1H-benzimidazole small molecule experimental 184.1973 C10H8N4 DB08066 N-[3-(1H-BENZIMIDAZOL-2-YL)-1H-PYRAZOL-4-YL]BENZAMIDE small molecule experimental 303.318 C17H13N5O DB08067 4-[(2-{4-[(CYCLOPROPYLCARBAMOYL)AMINO]-1H-PYRAZOL-3-YL}-1H-BENZIMIDAZOL-6-YL)METHYL]MORPHOLIN-4-IUM small molecule experimental 382.4396 C19H24N7O2 DB08068 N-[4-CHLORO-3-(PYRIDIN-3-YLOXYMETHYL)-PHENYL]-3-FLUORO- small molecule experimental 445.914 C23H25ClFN3O3 DB08069 4-AMINO-5-(2-METHYLPHENYL)-2,4-DIHYDRO-3H-1,2,4-TRIAZOLE-3-THIONE small molecule experimental 206.267 C9H10N4S DB08070 2-[4-(3-METHYL-1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE small molecule experimental 201.2676 C12H15N3 DB08071 (2S)-1-methyl-2-[(2S,4R)-2-methyl-4-phenylpentyl]piperidine small molecule experimental 259.4296 C18H29N DB08072 4-(2-AMINOETHOXY)-3,5-DICHLORO-N-[3-(1-METHYLETHOXY)PHENYL]BENZAMIDE small molecule experimental 383.269 C18H20Cl2N2O3 DB08073 (2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE small molecule experimental 397.4723 C24H23N5O DB08074 3-(3-Methyl-2-buten-1-yl)-3H-purin-6-amine small molecule experimental 203.2437 C10H13N5 DB08075 4-(2-amino-1,3-thiazol-4-yl)pyrimidin-2-amine small molecule experimental 193.229 C7H7N5S DB08076 4-[1-(2,6-dichlorobenzyl)-2-methyl-1H-imidazol-4-yl]pyrimidin-2-amine small molecule experimental 334.203 C15H13Cl2N5 DB08077 2-[4-({[(3,5-DICHLOROPHENYL)AMINO]CARBONYL}AMINO)PHENOXY]-2-METHYLPROPANOIC ACID small molecule experimental 383.226 C17H16Cl2N2O4 DB08078 {4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acid small molecule experimental 402.4376 C22H26O7 DB08080 Latrunculin B small molecule experimental 76343-94-7 395.513 C20H29NO5S DB08081 3-OXO-OCTANOIC ACID (2-OXO-TETRAHYDRO-FURAN-3-YL)-AMIDE small molecule experimental 241.2836 C12H19NO4 DB08082 N-(2-AMINOETHYL)-P-CHLOROBENZAMIDE small molecule experimental 199.634 C9H10ClNO2 DB08083 2-(1,3-thiazol-4-yl)-1H-benzimidazole-5-sulfonamide small molecule experimental 280.326 C10H8N4O2S2 DB08084 IDD594 small molecule experimental 416.237 C16H12BrF2NO3S DB08085 1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE small molecule experimental 216.3187 C15H20O DB08086 N-[12-(1H-imidazol-1-yl)dodecanoyl]-L-leucine small molecule experimental 379.5368 C21H37N3O3 DB08087 4-[(7R,7AS)-7-HYDROXY-1,3-DIOXOTETRAHYDRO-1H-PYRROLO[1,2-C]IMIDAZOL-2(3H)-YL]-1-NAPHTHONITRILE small molecule experimental 307.3034 C17H13N3O3 DB08088 2-chloro-4-{[(1R,3Z,7S,7aS)-7-hydroxy-1-(trifluoromethyl)tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-ylidene]amino}-3-methylbenzonitrile small molecule experimental 359.731 C15H13ClF3N3O2 DB08089 LGD-2226 small molecule experimental 328947-93-9 392.2197 C14H9F9N2O DB08090 (3Z,5S,6R,7S,8R,8aR)-3-(octylimino)hexahydro[1,3]oxazolo[3,4-a]pyridine-5,6,7,8-tetrol small molecule experimental 316.3932 C15H28N2O5 DB08091 3-FLUORO-5-MORPHOLIN-4-YL-N-[3-(2-PYRIDIN-4-YLETHYL)-1H-INDOL-5-YL]BENZAMIDE small molecule experimental 444.5007 C26H25FN4O2 DB08092 3-fluoro-N-1H-indol-5-yl-5-morpholin-4-ylbenzamide small molecule experimental 339.3635 C19H18FN3O2 DB08093 3-(1-NAPHTHYLMETHOXY)PYRIDIN-2-AMINE small molecule experimental 250.2952 C16H14N2O DB08095 3-(2-CHLOROPHENYL)-1-(2-{[(1S)-2-HYDROXY-1,2-DIMETHYLPROPYL]AMINO}PYRIMIDIN-4-YL)-1-(4-METHOXYPHENYL)UREA small molecule experimental 455.937 C23H26ClN5O3 DB08096 8-(2-CHLOROPHENYLAMINO)-2-(2,6-DIFLUOROPHENYLAMINO)-9-ETHYL-9H-PURINE-1,7-DIIUM small molecule experimental 400.812 C19H15ClF2N6 DB08097 2-(2,6-DIFLUOROPHENOXY)-N-(2-FLUOROPHENYL)-9-ISOPROPYL-9H-PURIN-8-AMINE small molecule experimental 399.3691 C20H16F3N5O DB08098 {[5-(5-nitro-2-furyl)-1,3,4-oxadiazol-2-yl]thio}acetic acid small molecule experimental 271.207 C8H5N3O6S DB08099 6-ethyl-5-[(2S)-1-(3-methoxypropyl)-2-phenyl-1,2,3,4-tetrahydroquinolin-7-yl]pyrimidine-2,4-diamine small molecule experimental 417.5465 C25H31N5O DB08100 2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol small molecule experimental 224.2976 C16H16O DB08101 2,6-dibromo-4-[(E)-2-phenylethenyl]phenol small molecule experimental 354.037 C14H10Br2O DB08102 3,5-dibromobiphenyl-4-ol small molecule experimental 327.999 C12H8Br2O DB08103 2,6-dibromo-4-phenoxyphenol small molecule experimental 343.999 C12H8Br2O2 DB08104 N-(3,5-dibromo-4-hydroxyphenyl)benzamide small molecule experimental 371.024 C13H9Br2NO2 DB08105 N-[(6-butoxynaphthalen-2-yl)sulfonyl]-L-glutamic acid small molecule experimental 409.453 C19H23NO7S DB08106 N-[(6-butoxynaphthalen-2-yl)sulfonyl]-D-glutamic acid small molecule experimental 409.453 C19H23NO7S DB08107 N-{[6-(PENTYLOXY)NAPHTHALEN-2-YL]SULFONYL}-D-GLUTAMIC ACID small molecule experimental 423.48 C20H25NO7S DB08108 N-({6-[(4-CYANOBENZYL)OXY]NAPHTHALEN-2-YL}SULFONYL)-D-GLUTAMIC ACID small molecule experimental 468.479 C23H20N2O7S DB08109 (1S,4R,7AR)-4-BUTOXY-1-[(1R)-1-FORMYLPROPYL]-2,4,5,6,7,7A-HEXAHYDRO-1H-ISOINDOLE-3-CARBOXYLIC ACID small molecule experimental 309.4006 C17H27NO4 DB08110 (1R,4S,7AS)-1-(1-FORMYLPROP-1-EN-1-YL)-4-METHOXY-2,4,5,6,7,7A-HEXAHYDRO-1H-ISOINDOLE-3-CARBOXYLIC ACID small molecule experimental 265.305 C14H19NO4 DB08111 4-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol small molecule experimental 302.33 C18H14N4O DB08112 N-({6-[(4-CYANO-2-FLUOROBENZYL)OXY]NAPHTHALEN-2-YL}SULFONYL)-D-GLUTAMIC ACID small molecule experimental 486.47 C23H19FN2O7S DB08113 3-pyridin-4-yl-1H-indazole small molecule experimental 195.22 C12H9N3 DB08114 5-benzyl-1,3-thiazol-2-amine small molecule experimental 190.265 C10H10N2S DB08115 2-aminoethyl naphthalen-1-ylacetate small molecule experimental 229.2744 C14H15NO2 DB08116 (3R)-4-{[(3,4-dihydroxyphenyl)acetyl]oxy}-N-(2-formylindolizin-3-yl)-3-sulfino-D-valine small molecule experimental 490.483 C22H22N2O9S DB08118 2-(methylamino)-N-(4-methyl-1,3-thiazol-2-yl)-5-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]benzamide small molecule experimental 360.457 C15H16N6OS2 DB08119 1,1,1-TRIFLUORO-3-((N-ACETYL)-L-LEUCYLAMIDO)-4-PHENYL-BUTAN-2-ONE(N-ACETYL-L-LEUCYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE) small molecule experimental 372.382 C18H23F3N2O3 DB08120 6,8-DIMERCAPTO-OCTANOIC ACID AMIDE small molecule experimental 207.357 C8H17NOS2 DB08121 (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid small molecule experimental 318.3658 C21H18O3 DB08122 N-Methyl-4-{[(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]amino}benzenesulfonamide small molecule experimental 329.374 C16H15N3O3S DB08123 N-methyl-{4-[2-(7-oxo-6,7-dihydro-8H-[1,3]thiazolo[5,4-e]indol-8-ylidene)hydrazino]phenyl}methanesulfonamide small molecule experimental 401.463 C17H15N5O3S2 DB08124 3-{[(2,2-dioxido-1,3-dihydro-2-benzothien-5-yl)amino]methylene}-5-(1,3-oxazol-5-yl)-1,3-dihydro-2H-indol-2-one small molecule experimental 393.416 C20H15N3O4S DB08125 4-{[(2-Oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]amino}-N-(1,3-thiazol-2-yl)benzenesulfonamide small molecule experimental 398.459 C18H14N4O3S2 DB08126 3-{[4-([amino(imino)methyl]aminosulfonyl)anilino]methylene}-2-oxo-2,3-dihydro-1H-indole small molecule experimental 357.387 C16H15N5O3S DB08127 1,3,3-trimethyl-2-[(1E,3E)-3-methylpenta-1,3-dien-1-yl]cyclohexene small molecule experimental 204.3511 C15H24 DB08128 (1S,4R,9S)-5-(trifluoromethyl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-9-amine small molecule experimental 227.2256 C12H12F3N DB08129 (1R)-2-amino-1-[3-(trifluoromethyl)phenyl]ethanol small molecule experimental 205.177 C9H10F3NO DB08130 N-(5-{3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}-1,3,4-oxadiazol-2-yl)ethane-1,2-diamine small molecule experimental 475.207 C16H13F3IN5O DB08131 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-3-METHYL-BUTYRIC ACID small molecule experimental 397.4277 C20H23N5O4 DB08132 5-hydroxynaphthalene-1-sulfonamide small molecule experimental 223.248 C10H9NO3S DB08133 N-(4-sulfamoylphenyl)-1H-indazole-3-carboxamide small molecule experimental 316.335 C14H12N4O3S DB08134 4-[(6-chloropyrazin-2-yl)amino]benzenesulfonamide small molecule experimental 284.722 C10H9ClN4O2S DB08135 N-phenyl-1H-pyrazole-3-carboxamide small molecule experimental 187.198 C10H9N3O DB08136 4-(acetylamino)-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide small molecule experimental 262.2397 C12H11FN4O2 DB08137 (4E)-N-(4-fluorophenyl)-4-[(phenylcarbonyl)imino]-4H-pyrazole-3-carboxamide small molecule experimental 324.3091 C17H13FN4O2 DB08138 {[(2,6-difluorophenyl)carbonyl]amino}-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide small molecule experimental 360.29 C17H11F3N4O2 DB08139 5-chloro-7-[(1-methylethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile small molecule experimental 235.673 C10H10ClN5 DB08140 5-[(4-AMINOCYCLOHEXYL)AMINO]-7-(PROPAN-2-YLAMINO)PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBONITRILE small molecule experimental 313.4007 C16H23N7 DB08141 4-{[(2,6-difluorophenyl)carbonyl]amino}-N-[(3S)-piperidin-3-yl]-1H-pyrazole-3-carboxamide small molecule experimental 349.3353 C16H17F2N5O2 DB08143 5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID ((3S,4S)-4-FLUORO- 1-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYLCARBAMOYL]-METHYL}-PYRROLIDIN-3-YL)-AMIDE small molecule experimental 492.926 C22H19ClF2N4O3S DB08144 6-(2,6-dibromophenyl)pyrido[2,3-d]pyrimidine-2,7-diamine small molecule experimental 395.052 C13H9Br2N5 DB08145 6-(2,6-DIMETHOXYPHENYL)PYRIDO[2,3-D]PYRIMIDINE-2,7-DIAMINE small molecule experimental 297.3119 C15H15N5O2 DB08146 7-(2,5-dihydropyrrol-1-yl)-6-phenyl-pyrido[6,5-d]pyrimidin-2-amine small molecule experimental 289.3345 C17H15N5 DB08147 4-[3-(dibenzylamino)phenyl]-2,4-dioxobutanoic acid small molecule experimental 387.4278 C24H21NO4 DB08148 1-[4-(4-chlorophenyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine small molecule experimental 341.838 C18H20ClN5 DB08149 1-[4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine small molecule experimental 355.864 C19H22ClN5 DB08150 4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-aminium small molecule experimental 342.846 C18H21ClN5 DB08151 (5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-phenyl-1,6-dioxa-2-azaspiro[4.5]dec-2-ene-8,9,10-triol small molecule experimental 295.2879 C14H17NO6 DB08152 {(2S)-1-[N-(tert-butoxycarbonyl)glycyl]pyrrolidin-2-yl}methyl (3-chlorophenyl)acetate small molecule experimental 410.892 C20H27ClN2O5 DB08153 (5E)-14-CHLORO-15,17-DIHYDROXY-4,7,8,9,10,11-HEXAHYDRO-2-BENZOXACYCLOPENTADECINE-1,12(3H,13H)-DIONE small molecule experimental 352.809 C18H21ClO5 DB08154 3-chloro-5-[2-chloro-5-(1H-indazol-3-ylmethoxy)phenoxy]benzonitrile small molecule experimental 410.253 C21H13Cl2N3O2 DB08155 N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDE small molecule experimental 242.295 C10H14N2O3S DB08156 3-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACID small molecule experimental 229.253 C9H11NO4S DB08157 ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATE small molecule experimental 257.306 C11H15NO4S DB08158 2,4-DINITROPHENYL 2-DEOXY-2-FLUORO-BETA-D-MANNOPYRANOSIDE small molecule experimental 348.238 C12H13FN2O9 DB08159 4-(5,11-DIOXO-5H-INDENO[1,2-C]ISOQUINOLIN-6(11H)-YL)BUTANOATE small molecule experimental 333.3374 C20H15NO4 DB08160 (2S)-2-AMINO-4-(METHYLSULFANYL)-1-(1,3-THIAZOL-2-YL)BUTANE-1,1-DIOL small molecule experimental 234.339 C8H14N2O2S2 DB08161 (S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID small molecule experimental 224.319 C12H16O2S DB08163 5'-{[4-(aminooxy)butyl](methyl)amino}-5'-deoxy-8-ethenyladenosine small molecule experimental 393.4408 C17H27N7O4 DB08164 (3R,4R)-1-{6-[3-(METHYLSULFONYL)PHENYL]PYRIMIDIN-4-YL}-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN-3-AMINE small molecule experimental 462.488 C22H21F3N4O2S DB08165 indane-5-sulfonamide small molecule experimental 197.254 C9H11NO2S DB08166 (4R)-7-chloro-9-methyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile small molecule experimental 328.796 C17H17ClN4O DB08167 Methylthioninium small molecule experimental 7060-82-4 284.399 C16H18N3S DB08168 Coumarin 120 small molecule experimental 26093-31-2 175.184 C10H9NO2 DB08169 (2Z)-N-biphenyl-4-yl-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enamide small molecule experimental 304.3425 C19H16N2O2 DB08170 (1R)-N,6-DIHYDROXY-7-METHOXY-2-[(4-METHOXYPHENYL)SULFONYL]-1,2,3,4-TETRAHYDROISOQUINOLINE-1-CARBOXAMIDE small molecule experimental 408.426 C18H20N2O7S DB08171 11-MERCAPTOUNDECANOIC ACID small molecule experimental 218.356 C11H22O2S DB08172 (2Z)-N-(3-chloro-2'-methoxybiphenyl-4-yl)-2-cyano-3-hydroxybut-2-enamide small molecule experimental 342.776 C18H15ClN2O3 DB08173 5-CHLORO-N-(2-(4-(2-OXOPYRIDIN-1(2H)-YL)BENZAMIDO)ETHYL)THIOPHENE-2-CARBOXAMIDE small molecule experimental 401.867 C19H16ClN3O3S DB08174 5-CHLORO-N-((1R,2S)-2-(4-(2-OXOPYRIDIN-1(2H)-YL)BENZAMIDO) CYCLOPENTYL)THIOPHENE-2-CARBOXAMIDE small molecule experimental 441.931 C22H20ClN3O3S DB08175 (2E,4E)-11-METHOXY-3,7,11-TRIMETHYLDODECA-2,4-DIENOIC ACID small molecule experimental 268.3917 C16H28O3 DB08176 (1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN-1-IMINE small molecule experimental 177.2181 C11H12FN DB08177 (E)-3-(5((5-(4-CHLOROPHENYL)FURAN-2-YL)METHYLENE)-4-OXO-2-THIOXOTHIAZOLIDIN-3-YL)PROPANOIC ACID small molecule experimental 393.864 C17H12ClNO4S2 DB08178 4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine small molecule experimental 241.2486 C12H11N5O DB08179 methyl 4-(2,3-dihydroxy-5-methylphenoxy)-2-hydroxy-6-methylbenzoate small molecule experimental 304.2946 C16H16O6 DB08180 2-[METHYL-(5-GERANYL-4-METHYL-PENT-3-ENYL)-AMINO]-ETHYL-DIPHOSPHATE small molecule experimental 453.4471 C19H37NO7P2 DB08181 2-((3'-METHYL-4'-HYDROXYPHENYL)AZO)BENZOIC ACID small molecule experimental 256.2567 C14H12N2O3 DB08182 4-(4-propoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine small molecule experimental 269.3018 C14H15N5O DB08184 2-(2-METHYLPHENYL)-1H-INDOLE-5-CARBOXIMIDAMIDE small molecule experimental 249.3104 C16H15N3 DB08185 2-METHYLTHIO-N6-ISOPENTENYL-ADENOSINE-5'-MONOPHOSPHATE small molecule experimental 463.446 C16H26N5O7PS DB08186 (3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT-3-EN-2-ONE small molecule experimental 199.2484 C13H13NO DB08187 N-Methylphenylalanyl-N-[(trans-4-aminocyclohexyl)methyl]-L-prolinamide small molecule experimental 386.531 C22H34N4O2 DB08190 N-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]acetamide small molecule experimental 358.1749 C13H15IN2O2 DB08191 4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid small molecule experimental 314.3374 C20H14N2O2 DB08192 2-(4-CARCOXY-5-ISOPROPYLTHIAZOLYL)BENZOPIPERIDINE small molecule experimental 302.391 C16H18N2O2S DB08193 2-(3-NITROPHENYL)ACETIC ACID small molecule experimental 181.1455 C8H7NO4 DB08194 4-methyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine small molecule experimental 181.258 C8H11N3S DB08195 (1R)-2-[(CYANOMETHYL)AMINO]-1-({[2-(DIFLUOROMETHOXY)BENZYL]SULFONYL}METHYL)-2-OXOETHYL MORPHOLINE-4-CARBOXYLATE small molecule experimental 461.437 C18H21F2N3O7S DB08196 2-((3',5'-DIMETHOXY-4'-HYDROXYPHENYL)AZO)BENZOIC ACID small molecule experimental 302.2821 C15H14N2O5 DB08197 (5E,7S)-2-amino-7-(4-fluoro-2-pyridin-3-ylphenyl)-4-methyl-7,8-dihydroquinazolin-5(6H)-one oxime small molecule experimental 363.3882 C20H18FN5O DB08198 [(4R)-4-(3-HYDROXYPHENYL)-1,6-DIMETHYL-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL](PHENYL)METHANONE small molecule experimental 338.423 C19H18N2O2S DB08199 N-[(BENZYLOXY)CARBONYL]-L-CYSTEINYLGLYCINE small molecule experimental 312.342 C13H16N2O5S DB08200 (1R)-menthyl hexyl phosphonate group small molecule experimental 304.4052 C16H33O3P DB08201 (1S)-menthyl hexyl phosphonate group small molecule experimental 304.4052 C16H33O3P DB08202 4-({[(4-METHYLPIPERAZIN-1-YL)AMINO]CARBONOTHIOYL}AMINO)BENZENESULFONAMIDE small molecule experimental 329.442 C12H19N5O2S2 DB08203 7-[2-METHOXY-1-(METHOXYMETHYL)ETHYL]-7H-PYRROLO[3,2-F] QUINAZOLINE-1,3-DIAMINE small molecule experimental 301.3437 C15H19N5O2 DB08204 3-DIPHENOL-6-NITRO-3H-BENZO[DE]ISOCHROMEN-1-ONE small molecule experimental 413.379 C24H15NO6 DB08205 4-(1,3-BENZOXAZOL-2-YL)-2,6-DIMETHYLPHENOL small molecule experimental 239.2692 C15H13NO2 DB08206 4-(1,3-BENZOXAZOL-2-YL)-2,6-DIBROMOPHENOL small molecule experimental 369.008 C13H7Br2NO2 DB08207 2-(3,5-DIMETHYLPHENYL)-1,3-BENZOXAZOLE small molecule experimental 223.2698 C15H13NO DB08208 2-[(4-ETHYNYL-2-FLUOROPHENYL)AMINO]-3,4-DIFLUORO-N-(2-HYDROXYETHOXY)BENZAMIDE small molecule experimental 350.2919 C17H13F3N2O3 DB08209 Methyl red small molecule experimental 493-52-7 269.2985 C15H15N3O2 DB08210 2-AMINO-4-FLUORO-5-[(1-METHYL-1H-IMIDAZOL-2-YL)SULFANYL]-N-(1,3-THIAZOL-2-YL)BENZAMIDE small molecule experimental 349.406 C14H12FN5OS2 DB08211 5-bromo-3-(pyrrolidin-1-ylsulfonyl)-1H-indole-2-carboxamide small molecule experimental 372.238 C13H14BrN3O3S DB08212 1-[2-(3-ACETYL-2-HYDROXY-6-METHOXY-PHENYL)-CYCLOPROPYL]-3-(5-CYANO-PYRIDIN-2-YL)-THIOUREA small molecule experimental 382.436 C19H18N4O3S DB08213 1-METHYL-5-(2-PHENOXYMETHYL-PYRROLIDINE-1-SULFONYL)-1H-INDOLE-2,3-DIONE small molecule experimental 400.448 C20H20N2O5S DB08214 4-(1H-IMIDAZOL-1-YL)PHENOL small molecule experimental 160.1726 C9H8N2O DB08215 Terbutryn small molecule experimental 886-50-0 241.356 C10H19N5S DB08216 2-((3'-TERTBUTYL-4'-HYDROXYPHENYL)AZO)BENZOIC ACID small molecule experimental 298.3364 C17H18N2O3 DB08217 S-[(1-Hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate small molecule experimental 265.393 C10H19NO3S2 DB08218 HYDROXY(OXO)(3-{[(2Z)-4-[3-(1H-1,2,4-TRIAZOL-1-YLMETHYL)PHENYL]PYRIMIDIN-2(5H)-YLIDENE]AMINO}PHENYL)AMMONIUM small molecule experimental 373.3681 C19H15N7O2 DB08219 4-Methyl-5-[(2Z)-2-{[4-(4-morpholinyl)phenyl]imino}-2,5-dihydro-4-pyrimidinyl]-1,3-thiazol-2-amine small molecule experimental 1059105-22-4 368.456 C18H20N6OS DB08220 (8alpha,10alpha,13alpha,17beta)-17-[(4-hydroxyphenyl)carbonyl]androsta-3,5-diene-3-carboxylic acid small molecule experimental 420.5406 C27H32O4 DB08221 N-{4-METHYL-3-[(3-PYRIMIDIN-4-YLPYRIDIN-2-YL)AMINO]PHENYL}-3-(TRIFLUOROMETHYL)BENZAMIDE small molecule experimental 449.4278 C24H18F3N5O DB08222 METHOXYUNDECYLPHOSPHINIC ACID small molecule experimental 250.3147 C12H27O3P DB08223 N-{(1S,2R)-1-BENZYL-3-[(CYCLOPROPYLMETHYL)(2-FURYLSULFONYL)AMINO]-2-HYDROXYPROPYL}-N'-METHYLSUCCINAMIDE small molecule experimental 477.574 C23H31N3O6S DB08224 (1S,7S,8S,8AR)-1,2,3,7,8,8A-HEXAHYDRO-7-METHYL-8-[2-[(2R,4R)-TETRAHYDRO-4-HY DROXY-6-OXO-2H-PYRAN-2-YL]ETHYL]-1-NAPHTHALENOL small molecule experimental 306.3966 C18H26O4 DB08226 Myxopyronin B small molecule experimental 417.4953 C23H31NO6 DB08227 1-(1-HYDROXY-2,2,6,6-TETRAMETHYLPIPERIDIN-4-YL)PYRROLIDINE-2,5-DIONE small molecule experimental 254.3254 C13H22N2O3 DB08228 5,8-dimethoxy-1,4-dimethylquinolin-2(1H)-one small molecule experimental 233.2631 C13H15NO3 DB08229 [N-(3-dibenzylcarbamoyl-oxiranecarbonyl)-hydrazino]-acetic acid small molecule experimental 385.4137 C20H23N3O5 DB08230 Tricetin small molecule experimental 520-31-0 302.2357 C15H10O7 DB08231 Myristic acid small molecule experimental 544-63-8 228.3709 C14H28O2 DB08232 [5-(5-Amino-1H-pyrrolo[3,2-b]pyridin-2-yl)-6-hydroxy-3'-nitro-3-biphenylyl]acetic acid small molecule experimental 404.3755 C21H16N4O5 DB08233 6-CYCLOHEXYLMETHYLOXY-2-(4'-HYDROXYANILINO)PURINE small molecule experimental 339.3916 C18H21N5O2 DB08234 5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine small molecule experimental 312.3663 C17H20N4O2 DB08235 N-[2-(2-methyl-1H-indol-3-yl)ethyl]thiophene-2-carboxamide small molecule experimental 284.376 C16H16N2OS DB08236 (2S)-2-(3-bromophenyl)-3-(5-chloro-2-hydroxyphenyl)-1,3-thiazolidin-4-one small molecule experimental 384.675 C15H11BrClNO2S DB08237 2'-deoxy-N-(naphthalen-1-ylmethyl)guanosine 5'-(dihydrogen phosphate) small molecule experimental 487.4024 C21H22N5O7P DB08238 5-aminonaphthalene-2-sulfonic acid small molecule experimental 119-79-9 223.248 C10H9NO3S DB08239 (2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL-2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO-1H-PYRROLE-1-CARBOXAMIDE small molecule experimental 397.4609 C23H25F2N3O DB08240 N-(4-CHLOROPHENYL)-3-(PHOSPHONOOXY)NAPHTHALENE-2-CARBOXAMIDE small molecule experimental 377.716 C17H13ClNO5P DB08241 4-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)--BENZAMIDE small molecule experimental 366.417 C19H22N6O2 DB08242 N,4-dimethyl-3-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide small molecule experimental 358.3965 C20H18N6O DB08244 (1S)-1-CYCLOPROPYL-2-[(2S)-4-(2,5-DIFLUOROPHENYL)-2-PHENYL-2,5-DIHYDRO-1H-PYRROL-1-YL]-2-OXOETHANAMINE small molecule experimental 354.3931 C21H20F2N2O DB08245 1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)-5-NITRO-1H-INDOLE small molecule experimental 358.2406 C13H15N2O8P DB08246 (2S)-4-(2,5-DIFLUOROPHENYL)-N,N-DIMETHYL-2-PHENYL-2,5-DIHYDRO-1H-PYRROLE-1-CARBOXAMIDE small molecule experimental 328.3558 C19H18F2N2O DB08247 6-(CYCLOHEXYLMETHOXY)-8-ISOPROPYL-9H-PURIN-2-AMINE small molecule experimental 289.376 C15H23N5O DB08248 3-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)-BENZENESULFONAMIDE small molecule experimental 402.471 C18H22N6O3S DB08249 3,6,9,12,15-PENTAOXATRICOSAN-1-OL small molecule experimental 350.4907 C18H38O6 DB08250 (5S)-5-(3-AMINOPROPYL)-3-(2,5-DIFLUOROPHENYL)-N-ETHYL-5-PHENYL-4,5-DIHYDRO-1H-PYRAZOLE-1-CARBOXAMIDE small molecule experimental 386.4383 C21H24F2N4O DB08251 4-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)-PYRIDIN-3-YL]-BENZOIC ACID small molecule experimental 342.3029 C17H14N2O6 DB08252 2-((4'-HYDROXYNAPHTHYL)-AZO)BENZOIC ACID small molecule experimental 292.2888 C17H12N2O3 DB08253 NAM NAPTHYLAMINOALANINE small molecule experimental 214.2631 C13H14N2O DB08254 2-Naphthalenesulfonic acid small molecule experimental 120-18-3 208.234 C10H8O3S DB08255 (3AR,5R,6S,7R,7AR)-5-(HYDROXYMETHYL)-2-PROPYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D][1,3]THIAZOLE-6,7-DIOL small molecule experimental 247.311 C10H17NO4S DB08256 N-[(CYCLOHEXYLAMINO)CARBONYL]GLYCINE small molecule experimental 200.2349 C9H16N2O3 DB08257 4-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}BUTANOIC ACID small molecule experimental 228.2881 C11H20N2O3 DB08258 6-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}HEXANOIC ACID small molecule experimental 256.3413 C13H24N2O3 DB08259 7-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}HEPTANOIC ACID small molecule experimental 270.3678 C14H26N2O3 DB08260 (1S,2R,3S,4R,5R)-2,3,4-trihydroxy-N-octyl-6-oxa-8-azabicyclo[3.2.1]octane-8-carbothioamide small molecule experimental 332.459 C15H28N2O4S DB08261 2-hydroxy-7-methoxy-5-methyl-naphthalene-1-carboxylic acid meso-2,5-dihydroxy-cyclopent-3-enyl ester small molecule experimental 330.3319 C18H18O6 DB08262 2,6-dicarboxynaphthalene small molecule experimental 1141-38-4 216.1895 C12H8O4 DB08263 N-(carboxycarbonyl)-D-phenylalanine small molecule experimental 856680-67-6 237.2087 C11H11NO5 DB08264 (1R, 2S)-cis 1,2 dihydroxy-1,2-dihydronaphthalene small molecule experimental 162.1852 C10H10O2 DB08265 2-(TOLUENE-4-SULFONYL)-2H-BENZO[D][1,2,3]DIAZABORININ-1-OL small molecule experimental 300.141 C14H13BN2O3S DB08266 Methyl [(1E,5R)-5-{3-[(2E,4E)-2,5-dimethyl-2,4-octadienoyl]-2,4-dioxo-3,4-dihydro-2H-pyran-6-yl}hexylidene]carbamate small molecule experimental 417.4953 C23H31NO6 DB08267 6-amino-4-(2-phenylethyl)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one small molecule experimental 305.3339 C17H15N5O DB08268 6-AMINO-4-[2-(4-METHYLPHENYL)ETHYL]-1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE small molecule experimental 319.3605 C18H17N5O DB08270 N-(2-AMINOETHYL)-N~2~-{(1S)-1-[4'-(AMINOSULFONYL)BIPHENYL-4-YL]-2,2,2-TRIFLUOROETHYL}-L-LEUCINAMIDE small molecule experimental 486.551 C22H29F3N4O3S DB08271 N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID small molecule experimental 316.373 C13H20N2O5S DB08272 (4S)-4-(2-NAPHTHYLMETHYL)-D-GLUTAMIC ACID small molecule experimental 287.3105 C16H17NO4 DB08273 4-HYDROXY-5-IODO-3-NITROPHENYLACETYL-EPSILON-AMINOCAPROIC ACID ANION small molecule experimental 435.1911 C14H16IN2O6 DB08274 6,7,8,9-TETRAHYDRO-4-HYDROXY-3-(1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN-2-ONE small molecule experimental 298.3762 C19H22O3 DB08275 N-DODECANOYL-L-TYROSINE small molecule experimental 363.491 C21H33NO4 DB08276 trifluoro-[hydroxy-[hydroxy-[2-(N-methyl-2-nitro-anilino)ethoxy]phosphoryl]oxy-phosphoryl]oxy-beryllium(1-) small molecule experimental 421.1624 C9H13BeF3N2O9P2 DB08277 2-(2-CHLORO-4-FLUOROPHENOXY)-2-METHYL-N-[(1R,2S,3S,5S,7S)-5-(METHYLSULFONYL)-2-ADAMANTYL]PROPANAMIDE small molecule experimental 443.96 C21H27ClFNO4S DB08278 1-(2-cyclopropylethyl)-3-(1,1-dioxo-2H-1,2,4-benzothiadiazin-3-yl)-6-fluoro-4-hydroxy-2(1H)-quinolinone small molecule experimental 477931-14-9 427.449 C21H18FN3O4S DB08279 3-{ISOPROPYL[(TRANS-4-METHYLCYCLOHEXYL)CARBONYL]AMINO}-5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID small molecule experimental 385.52 C22H27NO3S DB08280 (1S,3R,4S,5S,7S)-4-{[2-(4-METHOXYPHENOXY)-2-METHYLPROPANOYL]AMINO}ADAMANTANE-1-CARBOXAMIDE small molecule experimental 386.4846 C22H30N2O4 DB08281 O-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl] (4-bromophenyl)thiocarbamate small molecule experimental 405.266 C17H13BrN2O3S DB08282 O-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl] (4-chlorophenyl)thiocarbamate small molecule experimental 360.815 C17H13ClN2O3S DB08283 (2R,3R,4R,5S)-2-(HYDROXYMETHYL)-1-NONYLPIPERIDINE-3,4,5-TRIOL small molecule experimental 289.4109 C15H31NO4 DB08284 O-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl] (4-iodophenyl)thiocarbamate small molecule experimental 452.266 C17H13IN2O3S DB08285 (2R)-2-{[4-(benzylamino)-8-(1-methylethyl)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino}butan-1-ol small molecule experimental 354.4493 C19H26N6O DB08286 1-Naphthoxyacetic acid small molecule experimental 2976-75-2 202.206 C12H10O3 DB08287 (1R,2R)-N-(2-Aminoethyl)-2-{[(4-methoxyphenyl)sulfonyl]methyl}cyclohexanecarboxamide small molecule experimental 354.464 C17H26N2O4S DB08288 CYCLOHEXYL-NORSTATINE small molecule experimental 243.3425 C13H25NO3 DB08289 N-(PARA-GLUTARAMIDOPHENYL-ETHYL)-PIPERIDINIUM-N-OXIDE small molecule experimental 334.41 C18H26N2O4 DB08291 N-(3-AMINOPROPYL)-2-NITROBENZENAMINE small molecule experimental 195.2184 C9H13N3O2 DB08292 (5Z)-12-CHLORO-13,15-DIHYDROXY-4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE-1,10(3H,11H)-DIONE small molecule experimental 324.756 C16H17ClO5 DB08293 (5E)-12-CHLORO-13,15-DIHYDROXY-4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE-1,10(3H,11H)-DIONE small molecule experimental 324.756 C16H17ClO5 DB08294 2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACID small molecule experimental 197.1449 C8H7NO5 DB08295 4-HYDROXY-3-NITROPHENYLACETYL-EPSILON-AMINOCAPROIC ACID ANION small molecule experimental 309.2946 C14H17N2O6 DB08296 5-(PARA-NITROPHENYL PHOSPHONATE)-PENTANOIC ACID small molecule experimental 302.1972 C11H13NO7P DB08297 ORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDE small molecule experimental 285.25 C12H15NO7 DB08299 4-[8-(3-nitrophenyl)-1,7-naphthyridin-6-yl]benzoic acid small molecule experimental 371.3456 C21H13N3O4 DB08300 1-methyl-3-naphthalen-2-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine small molecule experimental 275.3079 C16H13N5 DB08301 N-({[4-(AMINOSULFONYL)PHENYL]AMINO}CARBONYL)-4-METHYLBENZENESULFONAMIDE small molecule experimental 369.416 C14H15N3O5S2 DB08302 3-[5-(2-nitropent-1-en-1-yl)furan-2-yl]benzoic acid small molecule experimental 301.294 C16H15NO5 DB08303 (3S)-3-cyclopentyl-6-methyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide small molecule experimental 428.569 C18H28N4O4S2 DB08304 (3R)-3-cyclopentyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2-benzothiazine 1,1-dioxide small molecule experimental 413.555 C18H27N3O4S2 DB08305 (3R)-3-cyclopentyl-6-methyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2-benzothiazine 1,1-dioxide small molecule experimental 427.581 C19H29N3O4S2 DB08306 3-[(3-Nitrophenyl)sulfamoyl]-2-thiophenecarboxylic acid small molecule experimental 850635-41-5 328.321 C11H8N2O6S2 DB08307 2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-1,3-DIONE small molecule experimental 329.2281 C14H10F3NO5 DB08308 SUCCINIC ACID MONO-(13-METHYL-3-OXO-2,3,6,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-17-YL) ESTER small molecule experimental 374.4706 C22H30O5 DB08309 3-({2-[(4-{[6-(CYCLOHEXYLMETHOXY)-9H-PURIN-2-YL]AMINO}PHENYL)SULFONYL]ETHYL}AMINO)PROPAN-1-OL small molecule experimental 488.603 C23H32N6O4S DB08310 N-[(2R)-2-{[(2S)-2-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]carbonyl}hexyl]-N-hydroxyformamide small molecule experimental 359.4195 C19H25N3O4 DB08312 6-CYCLOHEXYLMETHYLOXY-5-NITROSO-PYRIMIDINE-2,4-DIAMINE small molecule experimental 251.285 C11H17N5O2 DB08313 Nocodazole small molecule experimental 31430-18-9 301.32 C14H11N3O3S DB08314 (2-AMINO-1,3-OXAZOL-5-YL)-(3-BROMOPHENYL)METHANONE small molecule experimental 267.079 C10H7BrN2O2 DB08315 2-AMINO-N,N-BIS(PHENYLMETHYL)-1,3-OXAZOLE-5-CARBOXAMIDE small molecule experimental 307.3465 C18H17N3O2 DB08316 4-amino-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one small molecule experimental 191.2297 C10H13N3O DB08317 5-methyl-6-phenylquinazoline-2,4-diamine small molecule experimental 250.2985 C15H14N4 DB08318 6-(2-phenoxyethoxy)-1,3,5-triazine-2,4-diamine small molecule experimental 247.2532 C11H13N5O2 DB08319 2'-HYDROXY-1,1'-BIPHENYL-2-SULFINIC ACID small molecule experimental 234.271 C12H10O3S DB08320 DIETHYL (1R,2S,3R,4S)-5,6-BIS(4-HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-5-ENE-2,3-DICARBOXYLATE small molecule experimental 424.4432 C24H24O7 DB08321 (1S,2S,3R,6R)-4-(hydroxymethyl)-6-(octylamino)cyclohex-4-ene-1,2,3-triol small molecule experimental 287.3951 C15H29NO4 DB08322 2-DEOXY-3,4-BIS-O-[3-(4-HYDROXYPHENYL)PROPANOYL]-L-THREO-PENTARIC ACID small molecule experimental 456.3989 C23H20O10 DB08323 3-OXO-N-[(3S)-2-OXOPYRROLIDIN-3-YL]DODECANAMIDE small molecule experimental 296.4051 C16H28N2O3 DB08324 N-3-OXO-DODECANOYL-L-HOMOSERINE LACTONE small molecule experimental 297.3899 C16H27NO4 DB08325 2-({6-[(3-Chlorophenyl)amino]-9-isopropyl-9H-purin-2-yl}amino)ethanol small molecule experimental 212779-48-1 346.815 C16H19ClN6O DB08326 2-(6-HYDROXY-1,3-BENZOTHIAZOL-2-YL)-1,3-THIAZOL-4(5H)-ONE small molecule experimental 250.297 C10H6N2O2S2 DB08327 Homogentisic acid small molecule experimental 451-13-8 168.1467 C8H8O4 DB08328 PANTOTHENYL-AMINOETHANOL-11-PIVALIC ACID small molecule experimental 346.4192 C16H30N2O6 DB08329 Sulthiame small molecule experimental 61-56-3 290.359 C10H14N2O4S2 DB08330 METHYL (2Z)-3-METHOXY-2-{2-[(E)-2-PHENYLVINYL]PHENYL}ACRYLATE small molecule experimental 294.3444 C19H18O3 DB08331 N-1H-imidazol-2-yl-N'-[4-(1H-imidazol-2-ylamino)phenyl]benzene-1,4-diamine small molecule experimental 331.3745 C18H17N7 DB08332 9-(2-carboxyethyl)-10-methylanthracene endoperoxide small molecule experimental 296.3172 C18H16O4 DB08333 4-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIME small molecule experimental 247.2897 C14H17NO3 DB08334 3-FLUORO-4-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIME small molecule experimental 265.2801 C14H16FNO3 DB08335 4-HYDROXYBENZALDEHYDE O-(3,3-DIMETHYLBUTANOYL)OXIME small molecule experimental 235.279 C13H17NO3 DB08336 2-Methyl-2-propanyl [(1R)-2-methyl-1-(1,3,4-oxadiazol-2-yl)propyl]carbamate small molecule experimental 241.2869 C11H19N3O3 DB08337 2-Methyl-2-propanyl [(1S)-2-methyl-1-(1,3,4-oxadiazol-2-yl)propyl]carbamate small molecule experimental 241.2869 C11H19N3O3 DB08338 19-(cyclopropylamino)-4,6,7,15-tetrahydro-5H-16,1-(azenometheno)-10,14-(metheno)pyrazolo[4,3-o][1,3,9]triazacyclohexadecin-8(9H)-one small molecule experimental 363.4163 C19H21N7O DB08339 PD-166326 small molecule experimental 185039-91-2 427.283 C21H16Cl2N4O2 DB08340 N,N'-DIPHENYLPYRAZOLO[1,5-A][1,3,5]TRIAZINE-2,4-DIAMINE small molecule experimental 302.3333 C17H14N6 DB08341 4-{[4-{[(1R,2R)-2-(dimethylamino)cyclopentyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-N-methylbenzenesulfonamide small molecule experimental 458.501 C19H25F3N6O2S DB08342 S-palmitoyl-L-cysteine small molecule experimental 114507-35-6 359.567 C19H37NO3S DB08344 4-chloro-N-(3-methoxypropyl)-N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]benzamide small molecule experimental 414.968 C24H31ClN2O2 DB08345 4-(2-(1H-IMIDAZOL-4-YL)ETHYLAMINO)-2-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE small molecule experimental 345.3613 C17H15N9 DB08346 (5Z)-13-CHLORO-14,16-DIHYDROXY-3,4,7,8,9,10-HEXAHYDRO-1H-2-BENZOXACYCLOTETRADECINE-1,11(12H)-DIONE small molecule experimental 338.783 C17H19ClO5 DB08347 4-{[(2S)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3H-indole-2-carbonitrile small molecule experimental 287.3568 C16H21N3O2 DB08348 N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE small molecule experimental 295.3358 C17H17N3O2 DB08349 N-cyclopropyl-3-{[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl]amino}-4-methylbenzamide small molecule experimental 449.4526 C24H21F2N5O2 DB08350 5-[3-(2-METHOXYPHENYL)-1H-PYRROLO[2,3-B]PYRIDIN-5-YL]-N,N-DIMETHYLPYRIDINE-3-CARBOXAMIDE small molecule experimental 372.4198 C22H20N4O2 DB08351 N-cyclopropyl-4-methyl-3-{2-[(2-morpholin-4-ylethyl)amino]quinazolin-6-yl}benzamide small molecule experimental 431.5301 C25H29N5O2 DB08352 6-[4-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-(1-methylethyl)-1,3-benzothiazol-2-amine small molecule experimental 353.413 C19H16FN3OS DB08353 2-(CYCLOHEXYLMETHYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE small molecule experimental 347.4169 C19H21N7 DB08354 2-(4-CHLOROBENZYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE small molecule experimental 375.814 C19H14ClN7 DB08355 1-methyl-8-(phenylamino)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxylic acid small molecule experimental 321.3333 C17H15N5O2 DB08356 4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol small molecule experimental 296.3205 C17H16N2O3 DB08357 Diethylene glycol diethyl ether small molecule experimental 112-36-7 162.2267 C8H18O3 DB08358 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE small molecule experimental 340.3779 C21H16N4O DB08359 2-PHENYLAMINO-4-METHYL-5-ACETYL THIAZOLE small molecule experimental 232.301 C12H12N2OS DB08360 2-(4-ETHYLPIPERAZIN-1-YL)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE small molecule experimental 348.405 C18H20N8 DB08361 2-{[(1R,2S)-2-aminocyclohexyl]amino}-4-[(3-methylphenyl)amino]pyrimidine-5-carboxamide small molecule experimental 340.4228 C18H24N6O DB08362 N-(3-(8-CYANO-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZIN-2-YLAMINO)PHENYL)ACETAMIDE small molecule experimental 384.394 C20H16N8O DB08363 1-(9-ethyl-9H-carbazol-3-yl)-N-methylmethanamine small molecule experimental 238.3275 C16H18N2 DB08364 1-{[(1E)-(3-HYDROXY-2-METHYL-5-{[(TRIHYDROXY-LAMBDA^5^-PHOSPHANYL)OXY]METHYL}PYRIDIN-4-YL)METHYLIDENE]AMINO}UNDECAN-2-ONE small molecule experimental 416.4489 C19H33N2O6P DB08365 8-bromo-4-(2-chlorophenyl)-N-(2-hydroxyethyl)-6-methyl-1,3-dioxo-1,2,3,6-tetrahydropyrrolo[3,4-e]indole-7-carboxamide small molecule experimental 476.708 C20H15BrClN3O4 DB08366 3-({3-[(1S,4aS,6S,7S,9S,9aR)-1,6-dimethyl-2-oxodecahydro-6,9-epoxy-4a,7-methanobenzo[7]annulen-1-yl]propanoyl}amino)-2,4-dihydroxybenzoic acid small molecule experimental 443.4896 C24H29NO7 DB08367 (R)-2-(FORMYLOXY)-3-(PHOSPHONOOXY)PROPYL PENTANOATE small molecule experimental 284.2002 C9H17O8P DB08368 OCTANE-1,3,5,7-TETRACARBOXYLIC ACID small molecule experimental 290.2665 C12H18O8 DB08369 1-(biphenyl-4-ylmethyl)-1H-imidazole small molecule experimental 234.2958 C16H14N2 DB08370 S-(4-BROMOBENZYL)CYSTEINE small molecule experimental 290.177 C10H12BrNO2S DB08371 p-Benzoyl-L-phenylalanine small molecule experimental 104504-45-2 269.2952 C16H15NO3 DB08372 1-[2-(4-ETHOXY-3-FLUOROPYRIDIN-2-YL)ETHYL]-3-(5-METHYLPYRIDIN-2-YL)THIOUREA small molecule experimental 334.412 C16H19FN4OS DB08373 4,4'-BIS([H]METHYLSULFONYL)-2,2',5,5'-TETRACHLOROBIPHENYL small molecule experimental 448.169 C14H10Cl4O4S2 DB08374 Phenylalanylmethylchloride small molecule experimental 52735-71-4 197.661 C10H12ClNO DB08375 (2R)-2-[(1R)-1-[[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-oxoethyl]-5-methylidene-2H-1,3-thiazine-4-carboxylic acid small molecule experimental 397.429 C14H15N5O5S2 DB08376 (2R)-3-(phosphonooxy)propane-1,2-diyl diheptanoate small molecule experimental 396.4129 C17H33O8P DB08377 N-[4-(4-nitrophenylphospho)butanoyl]-D-alanine small molecule experimental 360.2564 C13H17N2O8P DB08378 4-[4-(2,5-DIOXO-PYRROLIDIN-1-YL)-PHENYLAMINO]-4-HYDROXY-BUTYRIC ACID small molecule experimental 292.2872 C14H16N2O5 DB08379 6-(4-chloro-2-fluoro-3-phenoxybenzyl)pyridazin-3(2H)-one small molecule experimental 330.741 C17H12ClFN2O2 DB08383 4,5-bis(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole small molecule experimental 362.445 C21H18N2O2S DB08384 2-({4-[4-(pyridin-4-ylmethyl)-1H-pyrazol-3-yl]phenoxy}methyl)quinoline small molecule experimental 392.4525 C25H20N4O DB08385 4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid small molecule experimental 270.3263 C16H18N2O2 DB08386 2-{[4-(4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl}quinoline small molecule experimental 378.4259 C24H18N4O DB08388 5-(2-ETHOXYETHYL)-5-[4-(4-FLUOROPHENOXY)PHENOXY]PYRIMIDINE-2,4,6(1H,3H,5H)-TRIONE small molecule experimental 402.3731 C20H19FN2O6 DB08389 6,7-DIMETHOXY-4-[(3R)-3-(2-NAPHTHYLOXY)PYRROLIDIN-1-YL]QUINAZOLINE small molecule experimental 401.4577 C24H23N3O3 DB08390 (6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO-4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY-5,6-DIHYDRO-2H-PYRAN-2-ONE small molecule experimental 362.4351 C21H27FO4 DB08391 PQ-10 small molecule experimental 927691-21-2 403.4338 C22H21N5O3 DB08392 2-[5,6-BIS-(4-METHOXY-PHENYL)-FURO[2,3-D]PYRIMIDIN-4-YLAMINO]-ETHANOL small molecule experimental 391.4198 C22H21N3O4 DB08393 2-[(5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN-4-YL)AMINO]ETHANOL small molecule experimental 331.3679 C20H17N3O2 DB08394 PARA-NITROPHENYLPHOSPHONOBUTANOYL-GLYCINE small molecule experimental 346.2299 C12H15N2O8P DB08395 2-(ETHOXYMETHYL)-4-(4-FLUOROPHENYL)-3-[2-(2-HYDROXYPHENOXY)PYRIMIDIN-4-YL]ISOXAZOL-5(2H)-ONE small molecule experimental 423.3938 C22H18FN3O5 DB08396 4-{[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4(5H)-ylidene)methyl]amino}butanoic acid small molecule experimental 274.276 C14H14N2O4 DB08397 6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALENE-2-CARBOXYLIC ACID small molecule experimental 302.1674 C12H9F2O5P DB08399 Piceatannol small molecule experimental 10083-24-6 244.246 C14H12O4 DB08400 4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzyl)piperidine-1-carboxylic acid small molecule experimental 380.361 C19H19F3N2O3 DB08401 (2E)-2-({(2S)-2-CARBOXY-2-[(PHENOXYACETYL)AMINO]ETHOXY}IMINO)PENTANEDIOIC ACID small molecule experimental 382.3221 C16H18N2O9 DB08402 2-[(2,4-DICHLOROBENZOYL)AMINO]-5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID small molecule experimental 404.204 C18H11Cl2N3O4 DB08403 METHYLAMINO-PHENYLALANYL-LEUCYL-HYDROXAMIC ACID small molecule experimental 349.4247 C18H27N3O4 DB08404 S-(2-{[N-(2-HYDROXY-4-{[HYDROXY(OXIDO)PHOSPHINO]OXY}-3,3-DIMETHYLBUTANOYL)-BETA-ALANYL]AMINO}ETHYL) HEXANETHIOATE small molecule experimental 440.492 C17H33N2O7PS DB08405 S-(2-{[N-(2-HYDROXY-4-{[HYDROXY(OXIDO)PHOSPHINO]OXY}-3,3-DIMETHYLBUTANOYL)-BETA-ALANYL]AMINO}ETHYL) HEPTANETHIOATE small molecule experimental 454.518 C18H35N2O7PS DB08406 [N-(2,4-DIAMINOPTERIDIN-6-YL)-METHYL]-DIBENZ[B,F]AZEPINE small molecule experimental 367.4066 C21H17N7 DB08407 Platensimycin small molecule experimental 835876-32-9 441.4737 C24H27NO7 DB08408 (3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl 2,2-dimethylpropanoate small molecule experimental 362.485 C16H30N2O5S DB08409 4-NITRO-BENZYLPHOSPHONOBUTANOYL-GLYCINE small molecule experimental 360.2564 C13H17N2O8P DB08410 PARA-NITROBENZYL GLUTARYL GLYCINIC ACID small molecule experimental 323.3013 C14H17N3O6 DB08411 N-[4-(4-nitrophenylphospho)butanoyl]-L-alanine small molecule experimental 360.2564 C13H17N2O8P DB08412 6-{4-[HYDROXY-(4-NITRO-PHENOXY)-PHOSPHORYL]-BUTYRYLAMINO}-HEXANOIC ACID small molecule experimental 402.3362 C16H23N2O8P DB08413 METHYL-PHOSPHONIC ACID MONO-(4-NITRO-PHENYL) ESTER small molecule experimental 217.1159 C7H8NO5P DB08414 PNU-142721 small molecule experimental 185220-03-5 306.771 C13H11ClN4OS DB08416 (9BETA,13ALPHA,14BETA,17ALPHA)-2-METHOXYESTRA-1,3,5(10)-TRIENE-3,17-DIYL DISULFAMATE small molecule experimental 460.565 C19H28N2O7S2 DB08418 (4aS,4bR,10bS,12aS)-12a-methyl-1,3-dioxo-2-(pyridin-3-ylmethyl)-1,2,3,4,4a,4b,5,6,10b,11,12,12a-dodecahydronaphtho[2,1-f]isoquinolin-8-yl sulfamate small molecule experimental 469.553 C24H27N3O5S DB08419 (1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATE small molecule experimental 262.67 C11H16ClO3P DB08420 1-{[1-(2-AMINO-3-PHENYL-PROPIONYL)-PYRROLIDINE-2-CARBONYL]-AMINO}-2-(3-CYANO-PHENYL)-ETHANEBORONIC ACID small molecule experimental 434.296 C23H27BN4O4 DB08421 PIPERIDINE-2-CARBOXYLIC ACID TERT-BUTYLAMIDE small molecule experimental 184.2786 C10H20N2O DB08422 [PHENYLALANINYL-PROLINYL]-[2-(PYRIDIN-4-YLAMINO)-ETHYL]-AMINE small molecule experimental 381.4714 C21H27N5O2 DB08423 [5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL][3-(PIPERIDIN-4-YLOXY)PHENYL]METHANONE small molecule experimental 380.4154 C21H21FN4O2 DB08424 [5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL](3-{[(2R)-2,3-DIHYDROXYPROPYL]OXY}PHENYL)METHANONE small molecule experimental 371.3623 C19H18FN3O4 DB08426 THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [2-OXO-1-(1H-PYRROLO[2,3-C]PYRIDIN-2-YLMETHYL)-PYRROLIDIN-3-YL]-AMIDE small molecule experimental 427.5 C19H17N5O3S2 DB08427 Prephenic acid small molecule experimental 126-49-8 226.1828 C10H10O6 DB08428 3(S)-AMINO-4-PHENYL-BUTAN-2(S)-OL small molecule experimental 165.2322 C10H15NO DB08429 N-({(2S)-1-[(3R)-3-amino-4-(3-chlorophenyl)butanoyl]pyrrolidin-2-yl}methyl)-3-(methylsulfonyl)benzamide small molecule experimental 478.004 C23H28ClN3O4S DB08430 PARA-NITROPHENYL 1-THIO-BETA-D-GLUCOPYRANOSIDE small molecule experimental 317.315 C12H15NO7S DB08431 [(3R,4S)-4-HYDROXY-3-METHYL-2-OXOHEXYL]PHOSPHONIC ACID small molecule experimental 194.1654 C7H15O4P DB08432 THYMIDINE-5'-THIOPHOSPHATE small molecule experimental 338.274 C10H15N2O7PS DB08433 phenyl ethenesulfonate small molecule experimental 184.212 C8H8O3S DB08434 2-METHYLCARBAMOYL-3-(4-PHOSPHONOOXY-PHENYL)-CYCLOPROPANECARBOXYLIC ACID small molecule experimental 315.2158 C12H14NO7P DB08435 (5E,14E)-11-oxoprosta-5,9,12,14-tetraen-1-oic acid small molecule experimental 316.4345 C20H28O3 DB08436 8-BENZO[1,3]DIOXOL-,5-YLMETHYL-9-BUTYL-9H- small molecule experimental 325.3651 C17H19N5O2 DB08437 Puromycin small molecule experimental 53-79-2 471.5096 C22H29N7O5 DB08438 (2E,4R,5S)-2,3,4,5-TETRAHYDROXY-6-(PALMITOYLOXY)HEX-2-ENOIC ACID small molecule experimental 432.5482 C22H40O8 DB08440 N-1,10-phenanthrolin-5-ylacetamide small molecule experimental 237.2566 C14H11N3O DB08441 6-BROMO-13-THIA-2,4,8,12,19-PENTAAZATRICYCLO[12.3.1.1~3,7~]NONADECA-1(18),3(19),4,6,14,16-HEXAENE 13,13-DIOXIDE small molecule experimental 384.252 C13H14BrN5O2S DB08442 4-{[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]carbonyl}benzene-1,3-diol small molecule experimental 297.3484 C18H19NO3 DB08443 2-(1H-pyrrol-1-ylcarbonyl)benzene-1,3,5-triol small molecule experimental 219.1935 C11H9NO4 DB08444 3-[2-bromo-4-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-methylbenzonitrile small molecule experimental 420.262 C20H14BrN5O DB08445 (3R,4S)-1-[6-(6-METHOXYPYRIDIN-3-YL)PYRIMIDIN-4-YL]-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN-3-AMINE small molecule experimental 401.385 C20H18F3N5O DB08446 3-[6-bromo-2-fluoro-3-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-chlorobenzonitrile small molecule experimental 458.671 C19H10BrClFN5O DB08447 3-{3-[(DIMETHYLAMINO)METHYL]-1H-INDOL-7-YL}PROPAN-1-OL small molecule experimental 232.3214 C14H20N2O DB08448 (4aS)-5-[(2,4-diaminopteridin-6-yl)methyl]-4a,5-dihydro-2H-dibenzo[b,f]azepin-8-ol small molecule experimental 385.4219 C21H19N7O DB08449 2-(3-((4,5,7-trifluorobenzo[d]thiazol-2-yl)methyl)-1H-pyrrolo[2,3-b]pyridin-1-yl)acetic acid small molecule experimental 377.34 C17H10F3N3O2S DB08450 N-1H-indazol-5-yl-2-(6-methylpyridin-2-yl)quinazolin-4-amine small molecule experimental 352.3919 C21H16N6 DB08451 N-(QUINOLIN-8-YL)METHANESULFONAMIDE small molecule experimental 222.264 C10H10N2O2S DB08453 2-Nonyl-4-quinolinol 1-oxide small molecule experimental 316-66-5 287.3966 C18H25NO2 DB08454 N-(5-METHYL-1H-PYRAZOL-3-YL)-2-PHENYLQUINAZOLIN-4-AMINE small molecule experimental 301.3452 C18H15N5 DB08455 Ro 12-7310 small molecule experimental 65316-65-6 312.4028 C20H24O3 DB08456 S-[(1-Hydroxy-2,2,5,5-tetramethyl-4-phenyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate small molecule experimental 341.489 C16H23NO3S2 DB08457 4-(3,5-DIMETHYLPHENOXY)-5-(FURAN-2-YLMETHYLSULFANYLMETHYL)-3-IODO-6-METHYLPYRIDIN-2(1H)-ONE small molecule experimental 481.347 C20H20INO3S DB08458 (4-BROMOPHENYL)[4-({(2E)-4-[CYCLOPROPYL(METHYL)AMINO]BUT-2-ENYL}OXY)PHENYL]METHANONE small molecule experimental 400.309 C21H22BrNO2 DB08459 3-chloro-5-[2-chloro-5-(1H-pyrazolo[3,4-b]pyridin-3-ylmethoxy)phenoxy]benzonitrile small molecule experimental 411.241 C20H12Cl2N4O2 DB08460 MK-4965 small molecule experimental 920035-77-4 426.256 C20H13Cl2N5O2 DB08461 3-[(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL)METHYL]PHENOL small molecule experimental 297.355 C16H19N5O DB08462 N-(4-PHENYLAMINO-QUINAZOLIN-6-YL)-ACRYLAMIDE small molecule experimental 290.3193 C17H14N4O DB08463 (2R)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9H-purin-2-yl}amino)butan-1-ol small molecule experimental 431.5334 C24H29N7O DB08464 METHYL 3-CHLORO-2-{3-[(2,5-DIHYDROXY-4-METHOXYPHENYL)AMINO]-3-OXOPROPYL}-4,6-DIHYDROXYBENZOATE small molecule experimental 411.79 C18H18ClNO8 DB08465 2-(3-AMINO-2,5,6-TRIMETHOXYPHENYL)ETHYL 5-CHLORO-2,4-DIHYDROXYBENZOATE small molecule experimental 397.807 C18H20ClNO7 DB08466 5-[2-(4-hydroxyphenyl)ethyl]benzene-1,3-diol small molecule experimental 230.2592 C14H14O3 DB08467 6-(2,3,4,5,6,7-HEXAHYDRO-2,4,4-TRIMETHYL-1-METYLENEINDEN-2-YL)-3-METHYLHEXA-2,4-DIENOIC ACID small molecule experimental 300.4351 C20H28O2 DB08469 tert-butyl 4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate small molecule experimental 335.421 C16H21N3O3S DB08470 3-(4-fluorophenyl)-5-phenyl-4H-1,2,4-triazole small molecule experimental 239.2477 C14H10FN3 DB08471 1-(thiophen-2-ylacetyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine small molecule experimental 359.466 C17H17N3O2S2 DB08472 (R)-Fluoxetine small molecule experimental 100568-03-4 309.3261 C17H18F3NO DB08473 Dichlororibofuranosylbenzimidazole small molecule experimental 53-85-0 319.141 C12H12Cl2N2O4 DB08474 3-(CARBOXYAMIDE(2-CARBOXYAMIDE-2-TERTBUTYLETHYL))PENTAN small molecule experimental 242.3577 C13H26N2O2 DB08475 [(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl hydrogen hex-5-enylphosphonate small molecule experimental 278.2818 C12H23O5P DB08476 3-AMINO-AZACYCLOTRIDECAN-2-ONE small molecule experimental 212.3318 C12H24N2O DB08478 N-[2-Chloro-5-(trifluoromethyl)phenyl]imidodicarbonimidic diamide small molecule experimental 279.649 C9H9ClF3N5 DB08479 N-(3,5-dimethoxyphenyl)imidodicarbonimidic diamide small molecule experimental 524055-74-1 237.2584 C10H15N5O2 DB08480 4-HYDROXY-N-PROPARGYL-1(R)-AMINOINDAN small molecule experimental 187.2377 C12H13NO DB08481 4-Methyl-N-[5-(5-methyl-furan-2-ylmethylene)-4-oxo-thiazolidin-2-ylidene]-benzenesulfonamide small molecule experimental 362.423 C16H14N2O4S2 DB08482 [[1-[N-HYDROXY-ACETAMIDYL]-3-METHYL-BUTYL]-CARBONYL-LEUCINYL]-ALANINE ETHYL ESTER small molecule experimental 401.4977 C19H35N3O6 DB08484 4-AMINO-N-[(2-SULFANYLETHYL)CARBAMOYL]BENZENESULFONAMIDE small molecule experimental 275.348 C9H13N3O3S2 DB08485 (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID small molecule experimental 358.408 C19H18O5S DB08487 3-({4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-2-OXOPIPERAZIN-1-YL}METHYL)BENZENECARBOXIMIDAMIDE small molecule experimental 462.973 C20H19ClN4O3S2 DB08488 4-{[(E)-2-(5-CHLOROTHIEN-2-YL)VINYL]SULFONYL}-1-(1H-PYRROLO[3,2-C]PYRIDIN-2-YLMETHYL)PIPERAZIN-2-ONE small molecule experimental 436.936 C18H17ClN4O3S2 DB08489 N4-HYDROXY-2-ISOBUTYL-N1-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.013,18]NONADECA-12(19),13,15,17-TETRAEN-10-YL)-SUCCINAMIDE small molecule experimental 456.5777 C25H36N4O4 DB08490 CTS-1027 small molecule experimental 193022-04-7 425.883 C19H20ClNO6S DB08491 N-HYDROXY-2-[4-(4-PHENOXY-BENZENESULFONYL)-TETRAHYDRO-PYRAN-4-YL]-ACETAMIDE small molecule experimental 391.438 C19H21NO6S DB08492 (2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID small molecule experimental 256.3395 C17H20O2 DB08493 5-METHYL-3-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.013,18]NONADECA-12(19),13,15,17-TETRAEN-10-YLCARBAMOYL)-HEXANOIC ACID small molecule experimental 441.5631 C25H35N3O4 DB08494 S-{2-[(2-chloro-4-sulfamoylphenyl)amino]-2-oxoethyl} 6-methyl-3,4-dihydroquinoline-1(2H)-carbothioate small molecule experimental 453.963 C19H20ClN3O4S2 DB08495 4-({4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-2-OXOPIPERAZIN-1-YL}METHYL)BENZENECARBOXIMIDAMIDE small molecule experimental 462.973 C20H19ClN4O3S2 DB08496 (R)-warfarin small molecule experimental 40281-89-8 308.3279 C19H16O4 DB08497 (1S)-2-oxo-1-phenyl-2-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethyl acetate small molecule experimental 366.3243 C19H14N2O6 DB08498 (1S)-1-(3-chlorophenyl)-2-oxo-2-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethyl acetate small molecule experimental 400.769 C19H13ClN2O6 DB08499 N-[3-(2-fluoroethoxy)phenyl]-N'-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)butanediamide small molecule experimental 427.3825 C21H18FN3O6 DB08500 (3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-(2-naphthyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol small molecule experimental 347.3624 C18H21NO6 DB08501 DIETHYL PROPANE-1,3-DIYLBISCARBAMATE small molecule experimental 218.2502 C9H18N2O4 DB08503 (3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-(4-methylphenyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol small molecule experimental 311.3303 C15H21NO6 DB08504 6-(4-{(1S,2S)-2-AMINO-1-[(DIMETHYLAMINO)CARBONYL]-3-[(3S)-3-FLUOROPYRROLIDIN-1-YL]-3-OXOPROPYL}PHENYL)-1H-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-4-IUM small molecule experimental 424.4713 C22H25FN6O2 DB08505 methyl 4-bromo-N-[8-(hydroxyamino)-8-oxooctanoyl]-L-phenylalaninate small molecule experimental 429.306 C18H25BrN2O5 DB08506 N-{(2S)-3-[(1R)-1-aminoethyl](hydroxy)phosphoryl-2-benzylpropanoyl}-L-phenylalanine small molecule experimental 418.4232 C21H27N2O5P DB08507 N-[[2-METHYL-4-HYDROXYCARBAMOYL]BUT-4-YL-N]-BENZYL-P-[PHENYL]-P-[METHYL]PHOSPHINAMID small molecule experimental 374.4137 C20H27N2O3P DB08508 N-BENZOYL-D-ALANINE small molecule experimental 193.1992 C10H11NO3 DB08509 1-[6-(2-CHLORO-4-METHYXYPHENOXY)-HEXYL]-IMIDAZOLE small molecule experimental 308.803 C16H21ClN2O2 DB08510 5-ALPHA-PREGNANE-3-BETA-OL-HEMISUCCINATE small molecule experimental 418.5662 C25H38O5 DB08511 6-amino-2-methyl-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one small molecule experimental 215.2114 C10H9N5O DB08512 6-amino-2-[(1-naphthylmethyl)amino]-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one small molecule experimental 356.3806 C20H16N6O DB08513 [4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN-2-YL}AMINO)PHENYL]ACETIC ACID small molecule experimental 377.3966 C20H19N5O3 DB08514 6-amino-2-[(thiophen-2-ylmethyl)amino]-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one small molecule experimental 312.35 C14H12N6OS DB08515 (3AR,6R,6AS)-6-((S)-((S)-CYCLOHEX-2-ENYL)(HYDROXY)METHYL)-6A-METHYL-4-OXO-HEXAHYDRO-2H-FURO[3,2-C]PYRROLE-6-CARBALDEHYDE small molecule experimental 279.3315 C15H21NO4 DB08516 (S)-(+)-2-[4-(FLUOROBENZYLOXY-BENZYLAMINO)PROPIONAMIDE] small molecule experimental 300.3275 C17H17FN2O2 DB08517 Sakuranetin small molecule experimental 2957-21-3 286.2794 C16H14O5 DB08519 N~4~-(3-methyl-1H-indazol-6-yl)-N~2~-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine small molecule experimental 406.4378 C21H22N6O3 DB08520 (21S)-1AZA-4,4-DIMETHYL-6,19-DIOXA-2,3,7,20-TETRAOXOBICYCLO[19.4.0] PENTACOSANE small molecule experimental 437.5696 C24H39NO6 DB08521 4-[4-(4-Fluorophenyl)-2-[4-[(R)-methylsulfinyl]phenyl]-1H-imidazol-5-yl]pyridine small molecule experimental 652162-77-1 377.435 C21H16FN3OS DB08522 4-(4-FLUOROPHENYL)-1-CYCLOROPROPYLMETHYL-5-(4-PYRIDYL)-IMIDAZOLE small molecule experimental 293.3381 C18H16FN3 DB08523 [HYDROXY(3-PHENYLPROPYL)AMINO]METHANOL small molecule experimental 181.2316 C10H15NO2 DB08524 2-(3-BENZOYLPHENOXY)ETHYL(HYDROXY)FORMAMIDE small molecule experimental 285.2946 C16H15NO4 DB08525 HYDROXY[3-(6-METHYLPYRIDIN-2-YL)PROPYL]FORMAMIDE small molecule experimental 194.2304 C10H14N2O2 DB08526 CARBOBENZYLOXY-(L)-LEUCINYL-(L)LEUCINYL METHOXYMETHYLKETONE small molecule experimental 408.5316 C22H36N2O5 DB08527 1-[4-(AMINOSULFONYL)PHENYL]-1,6-DIHYDROPYRAZOLO[3,4-E]INDAZOLE-3-CARBOXAMIDE small molecule experimental 356.359 C15H12N6O3S DB08528 2-AMINO-6-(3,5-DIMETHYLPHENYL)SULFONYLBENZONITRILE small molecule experimental 286.349 C15H14N2O2S DB08529 (6E,11E)-HEPTADECA-6,11-DIENE-9,9-DIYLBIS(PHOSPHONIC ACID) small molecule experimental 396.3958 C17H34O6P2 DB08530 7-BENZYL-1,3-DIMETHYL-8-PIPERAZIN-1-YL-3,7-DIHYDRO-PURINE-2,6-DIONE small molecule experimental 355.4142 C18H23N6O2 DB08531 5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine small molecule experimental 370.235 C18H13Cl2N5 DB08532 6-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine small molecule experimental 319.3357 C18H14FN5 DB08533 3-methyl-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine small molecule experimental 239.2758 C13H13N5 DB08534 5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine small molecule experimental 319.3357 C18H14FN5 DB08535 3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine small molecule experimental 380.241 C18H14BrN5 DB08536 3-bromo-5-phenyl-N-(pyrimidin-5-ylmethyl)pyrazolo[1,5-a]pyridin-7-amine small molecule experimental 380.241 C18H14BrN5 DB08537 3-bromo-6-phenyl-N-(pyrimidin-5-ylmethyl)imidazo[1,2-a]pyridin-8-amine small molecule experimental 380.241 C18H14BrN5 DB08538 N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine small molecule experimental 381.382 C19H17F2N7 DB08539 3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine small molecule experimental 341.4091 C21H19N5 DB08540 2-[4-(2H-1,4-BENZOTHIAZINE-3-YL)-PIPERAZINE-1-LY]-1,3-THIAZOLE-4-CARBOXYLIC ACID ETHYLESTER small molecule experimental 388.507 C18H20N4O2S2 DB08541 [(3S)-9-hydroxy-1-methyl-10-oxo-4,10-dihydro-3H-benzo[g]isochromen-3-yl]acetic acid small molecule experimental 286.2794 C16H14O5 DB08542 3,4-dihydroxy-9,10-secoandrosta-1(10),2,4-triene-9,17-dione small molecule experimental 316.3915 C19H24O4 DB08543 1-[2-HYDROXY-3-(4-CYCLOHEXYL-PHENOXY)-PROPYL]-4-(2-PYRIDYL)-PIPERAZINE small molecule experimental 395.5377 C24H33N3O2 DB08544 (S)-Fluoxetine small molecule experimental 100568-02-3 309.3261 C17H18F3NO DB08545 (1S)-1-Phenylethyl (4-acetamidobenzyl)phosphonate small molecule experimental 332.3108 C17H19NO4P DB08546 4-[(3AS,4R,7R,8AS,8BR)-2-(1,3-BENZODIOXOL-5-YLMETHYL)-7-HYDROXY-1,3-DIOXODECAHYDROPYRROLO[3,4-A]PYRROLIZIN-4-YL]BENZENECARBOXIMIDAMIDE small molecule experimental 448.4712 C24H24N4O5 DB08547 PROGESTERONE-11-ALPHA-OL-HEMISUCCINATE small molecule experimental 430.5339 C25H34O6 DB08548 [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl hydrogen hex-5-enylphosphonate small molecule experimental 278.2818 C12H23O5P DB08549 (3R)-METHYLCARBAMOYL-7-SULFOAMINO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID BENZYL ESTER small molecule experimental 419.452 C19H21N3O6S DB08550 7,8-Dichloro-1,2,3,4-tetrahydroisoquinoline small molecule experimental 61563-24-4 202.08 C9H9Cl2N DB08551 3-{(R)-(Dihydroxyboryl)[(2-thienylacetyl)amino]methyl}benzoic acid small molecule experimental 497258-67-0 319.141 C14H14BNO5S DB08552 (1R)-1-(2-thienylacetylamino)-1-phenylmethylboronic acid small molecule experimental 275.131 C13H14BNO3S DB08553 (1E)-5-(1-piperidin-4-yl-3-pyridin-4-yl-1H-pyrazol-4-yl)-2,3-dihydro-1H-inden-1-one oxime small molecule experimental 373.4509 C22H23N5O DB08554 N-(3-carboxypropanoyl)-L-norvaline small molecule experimental 217.2191 C9H15NO5 DB08555 1-(3-bromophenyl)-7-chloro-6-methoxy-3,4-dihydroisoquinoline small molecule experimental 350.638 C16H13BrClNO DB08556 5'-ACETYL-4-{[(2,4-DIMETHYLPHENYL)SULFONYL]AMINO}-2,2'-BITHIOPHENE-5-CARBOXYLIC ACID small molecule experimental 435.537 C19H17NO5S3 DB08557 2-[(2-methoxyethyl)amino]-4-(4-oxo-1,2,3,4-tetrahydro-9H-carbazol-9-yl)benzamide small molecule experimental 377.4363 C22H23N3O3 DB08558 2-HYDROXYMETHYL-6-OCTYLSULFANYL-TETRAHYDRO-PYRAN-3,4,5-TRIOL small molecule experimental 308.434 C14H28O5S DB08559 N-[(2S,4S,6R)-2-(dihydroxymethyl)-4-hydroxy-3,3-dimethyl-7-oxo-4lambda~4~-thia-1-azabicyclo[3.2.0]hept-6-yl]-2-phenylacetamide small molecule experimental 352.405 C16H20N2O5S DB08560 3-FLUORO-N-[1-(4-FLUOROPHENYL)-3-(2-THIENYL)-1H-PYRAZOL-5-YL]BENZENESULFONAMIDE small molecule experimental 417.452 C19H13F2N3O2S2 DB08561 BENZYL 6-BENZYL-5,7-DIOXO-6,7-DIHYDRO-5H-[1,3]THIAZOLO[3,2-C]PYRIMIDINE-2-CARBOXYLATE small molecule experimental 392.428 C21H16N2O4S DB08562 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID small molecule experimental 309.3591 C19H19NO3 DB08564 (2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide small molecule experimental 426.31 C20H20BrN5O DB08565 L-1-naphthyl-2-acetamido-ethane boronic acid small molecule experimental 274.1 C14H17BNO4 DB08566 D-1-naphthyl-2-acetamido-ethane boronic acid small molecule experimental 274.1 C14H17BNO4 DB08568 A-674563 small molecule experimental 552325-73-2 358.4363 C22H22N4O DB08569 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.] PYRAZOLE small molecule experimental 437.332 C22H21BrN4O DB08570 4-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACID small molecule experimental 240.1696 C9H8N2O6 DB08571 4-(ACETYLAMINO)-5-AMINO-3-HYDROXYBENZOIC ACID small molecule experimental 210.1867 C9H10N2O4 DB08572 4-{[4-AMINO-6-(CYCLOHEXYLMETHOXY)-5-NITROSOPYRIMIDIN-2-YL]AMINO}BENZAMIDE small molecule experimental 370.4057 C18H22N6O3 DB08573 3-[(4-CHLOROANILINO)SULFONYL]THIOPHENE-2-CARBOXYLIC ACID small molecule experimental 317.769 C11H8ClNO4S2 DB08574 (5R)-2-sulfanyl-5-[4-(trifluoromethyl)benzyl]-1,3-thiazol-4(5H)-one small molecule experimental 291.313 C11H8F3NOS2 DB08575 2-[(1S)-1-BENZYL-2-SULFANYLETHYL]-1H-IMIDAZO[4,5-C]PYRIDIN-5-IUM small molecule experimental 270.373 C15H16N3S DB08576 1-(5-TERT-BUTYL-1,3,4-OXADIAZOL-2-YL)-2-(METHYLAMINO)ETHANONE small molecule experimental 197.2343 C9H15N3O2 DB08577 3-[(3-(2-CARBOXYETHYL)-4-METHYLPYRROL-2-YL)METHYLENE]-2-INDOLINONE small molecule experimental 296.3205 C17H16N2O3 DB08578 4-[(5-bromopyridin-2-yl)amino]-4-oxobutanoic acid small molecule experimental 273.083 C9H9BrN2O3 DB08579 4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]carbonyl}aniline small molecule experimental 311.217 C14H19BrN2O DB08580 4-bromo-2-{[(2R)-2-(2-chlorobenzyl)pyrrolidin-1-yl]carbonyl}aniline small molecule experimental 393.705 C18H18BrClN2O DB08581 4-[(4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]carbonyl}phenyl)amino]-4-oxobutanoic acid small molecule experimental 411.29 C18H23BrN2O4 DB08582 N-(4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]carbonyl}phenyl)-4-morpholin-4-yl-4-oxobutanamide small molecule experimental 480.395 C22H30BrN3O4 DB08583 2-amino-5-[3-(1-ethyl-1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide small molecule experimental 374.439 C21H22N6O DB08585 S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] hexanethioate small molecule experimental 456.491 C17H33N2O8PS DB08586 S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] octanethioate small molecule experimental 484.544 C19H37N2O8PS DB08587 Sinapic acid small molecule experimental 7362-37-0 224.21 C11H12O5 DB08588 2-({2-[(3R)-3-AMINOPIPERIDIN-1-YL]-4-OXOQUINAZOLIN-3(4H)-YL}METHYL)BENZONITRILE small molecule experimental 359.4243 C21H21N5O DB08589 SYRINGATE small molecule experimental 212.1993 C10H12O5 DB08590 1-(3-HYDROXYPROPYL)-2-[(3-NITROBENZOYL)AMINO]-1H-BENZIMIDAZOL-5-YL PIVALATE small molecule experimental 440.4492 C22H24N4O6 DB08591 5-(4-METHOXYBIPHENYL-3-YL)-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE small molecule experimental 318.348 C15H14N2O4S DB08593 1,2,5-THIADIAZOLIDIN-3-ONE-1,1-DIOXIDE small molecule experimental 212.226 C8H8N2O3S DB08594 TERT-BUTYL 2-CYANO-2-METHYLHYDRAZINECARBOXYLATE small molecule experimental 171.197 C7H13N3O2 DB08595 4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL small molecule experimental 258.3554 C17H22O2 DB08596 5'-deoxy-5'-piperidin-1-ylthymidine small molecule experimental 309.3608 C15H23N3O4 DB08597 Dorsomorphin small molecule experimental 866405-64-3 399.4882 C24H25N5O DB08598 R-82913 small molecule experimental 126347-69-1 321.868 C16H20ClN3S DB08599 N-[(4-methoxyphenyl)sulfonyl]-D-alanine small molecule experimental 259.279 C10H13NO5S DB08600 Tivirapine small molecule experimental 137332-54-8 321.868 C16H20ClN3S DB08601 Tributyltin small molecule experimental 688-73-3 290.05 C12H27Sn DB08602 3-(2,6-difluorophenyl)-2-(methylthio)quinazolin-4(3H)-one small molecule experimental 304.315 C15H10F2N2OS DB08603 N-[(1S)-5-amino-1-(chloroacetyl)pentyl]-4-methylbenzenesulfonamide small molecule experimental 332.846 C14H21ClN2O3S DB08605 6-METHYL-2(PROPANE-1-SULFONYL)-2H-THIENO[3,2-D][1,2,3]DIAZABORININ-1-OL small molecule experimental 272.152 C9H13BN2O3S2 DB08606 (3R,4S)-1-[(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)METHYL]-4-[(METHYLSULFANYL)METHYL]PYRROLIDIN-3-OL small molecule experimental 293.388 C13H19N5OS DB08607 (5R)-5-(4-{[(2R)-6-HYDROXY-2,5,7,8-TETRAMETHYL-3,4-DIHYDRO-2H-CHROMEN-2-YL]METHOXY}BENZYL)-1,3-THIAZOLIDINE-2,4-DIONE small molecule experimental 441.54 C24H27NO5S DB08608 4-({(2R,5S)-2,5-DIMETHYL-4-[(2R)-3,3,3-TRIFLUORO-2-HYDROXY-2-METHYLPROPANOYL]PIPERAZIN-1-YL}CARBONYL)BENZONITRILE small molecule experimental 383.3649 C18H20F3N3O3 DB08609 (2R)-N-{4-[Ethyl(phenyl)sulfamoyl]-2-methylphenyl}-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide small molecule experimental 430.441 C19H21F3N2O4S DB08610 N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE small molecule experimental 360.878 C20H25ClN2O2 DB08611 2-[(2',3',4'-TRIFLUOROBIPHENYL-2-YL)OXY]ETHANOL small molecule experimental 268.2311 C14H11F3O2 DB08612 1,1,1-TRIFLUORO-3-(OCTYLTHIO)ACETONE small molecule experimental 256.328 C11H19F3OS DB08613 2,2,2-TRIFLUORO-1-{5-[(3-PHENYL-5,6-DIHYDROIMIDAZO[1,2-A]PYRAZIN-7(8H)-YL)CARBONYL]THIOPHEN-2-YL}ETHANE-1,1-DIOL small molecule experimental 423.409 C19H16F3N3O3S DB08614 3-[[(METHYLAMINO)SULFONYL]AMINO]-2-OXO-6-PHENYL-N-[3,3,3-TRIFLUORO-1-(1-METHYLETHYL)-2-OXOPHENYL]-1(2H)-PYRIDINE ACETAMIDE small molecule experimental 488.481 C20H23F3N4O5S DB08615 2-[4-(DIMETHYLAMINO)PHENYL]-6-HYDROXY-3-METHYL-1,3-BENZOTHIAZOL-3-IUM small molecule experimental 285.384 C16H17N2OS DB08617 4-(2,2,2-TRIFLUOROETHYL)-L-PHENYLALANINE small molecule experimental 247.2137 C11H12F3NO2 DB08618 3-(HYDROXY-PHENYL-PHOSPHINOYLOXY)-8-METHYL-8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID METHYL ESTER small molecule experimental 339.3233 C16H22NO5P DB08619 Testosterone succinate small molecule experimental 521-15-3 388.4972 C23H32O5 DB08620 Thiacloprid small molecule experimental 111988-49-9 252.723 C10H9ClN4S DB08621 Thiamphenicol small molecule experimental 15318-45-3 356.222 C12H15Cl2NO5S DB08622 4-(4-CHLORO-PHENYL)-1-{3-[2-(4-FLUORO-PHENYL)-[1,3]DITHIOLAN-2-YL]-PROPYL}-PIPERIDIN-4-OL small molecule experimental 452.048 C23H27ClFNOS2 DB08623 2-[CARBOXY-(2-THIOPHEN-2-YL-ACETYLAMINO)-METHYL]-5-METHYLENE-5,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID small molecule experimental 354.401 C14H14N2O5S2 DB08624 1-[(4S)-4-amino-5-(1,3-benzothiazol-2-yl)-5-oxopentyl]guanidine small molecule experimental 291.372 C13H17N5OS DB08626 Thiorphan small molecule experimental 76721-89-6 253.317 C12H15NO3S DB08627 (5R)-4-HYDROXY-3,5-DIMETHYL-5-[(1E,3E)-2-METHYLPENTA-1,3-DIENYL]THIOPHEN-2(5H)-ONE small molecule experimental 224.319 C12H16O2S DB08628 (5R)-5-[(1E)-BUTA-1,3-DIENYL]-4-HYDROXY-3,5-DIMETHYLTHIOPHEN-2(5H)-ONE small molecule experimental 196.266 C10H12O2S DB08629 N1-(2-AMINO-4-METHYLPENTYL)OCTAHYDRO-PYRROLO[1,2-A] PYRIMIDINE small molecule experimental 225.3736 C13H27N3 DB08631 N-(4-CHLOROPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE small molecule experimental 322.81 C15H15ClN2O2S DB08632 Trimesic acid small molecule experimental 554-95-0 210.1403 C9H6O6 DB08634 6-BENZYL-1-BENZYLOXYMETHYL-5-ISOPROPYL URACIL small molecule experimental 364.4376 C22H24N2O3 DB08635 N-(TRANS-4'-NITRO-4-STILBENYL)-N-METHYL-5-AMINO-PENTANOIC ACID small molecule experimental 354.3997 C20H22N2O4 DB08636 2-Hydroxybenzalpyruvate small molecule experimental 90293-62-2 192.1681 C10H8O4 DB08637 4-(2-METHOXYPHENYL)-2-OXOBUT-3-ENOIC ACID small molecule experimental 206.1947 C11H10O4 DB08638 1-hydroperoxy-L-tryptophan small molecule experimental 236.224 C11H12N2O4 DB08640 (2S,3S)-3-FORMYL-2-({[(4-METHYLPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACID small molecule experimental 313.369 C14H19NO5S DB08641 (2S,3S)-3-FORMYL-2-({[(4-NITROPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACID small molecule experimental 344.34 C13H16N2O7S DB08642 (2R,6S)-6-{[methyl(3,4,5-trimethoxyphenyl)amino]methyl}-1,2,5,6,7,8-hexahydroquinazoline-2,4-diamine small molecule experimental 375.4653 C19H29N5O3 DB08643 2-(2-{2-[(BIPHENYL-4-YLMETHYL)-AMINO]-3-MERCAPTO-PENTANOYLAMINO}-ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER small molecule experimental 457.586 C24H31N3O4S DB08644 {1-[2-(1-FORMYL-PROPYL)-3-METHANESULFONYLAMINO-PYRROLIDINE-1-CARBONYL]-2-METHYL-PROPYL}-CARBAMIC ACID TERT-BUTYL ESTER small molecule experimental 433.563 C19H35N3O6S DB08645 6-CHLORO-3-(DICHLOROMETHYL)-3,4-DIHYDRO-2H-1,2,4-BENZOTHIADIAZINE-7-SULFONAMIDE 1,1-DIOXIDE small molecule experimental 380.656 C8H8Cl3N3O4S2 DB08646 TRW3-(2-AMINO-3-HYDROXY-PROPYL)-6-(N'-CYCLOHEXYL-HYDRAZINO)OCTAHYDRO-INDOL-7-OL small molecule experimental 310.3504 C17H18N4O2 DB08647 TRAZEOLIDE small molecule experimental 316.4345 C20H28O3 DB08648 (1R,3S,5S,8R)-8-Hydroxy-2-oxabicyclo[3.3.1]non-6-ene-3,5-dicarboxylic acid small molecule experimental 228.1987 C10H12O6 DB08649 (1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOL small molecule experimental 176.2151 C10H12N2O DB08651 3'-THIO-THYMIDINE-5'-PHOSPHATE small molecule experimental 338.274 C10H15N2O7PS DB08652 Indoleacetamide small molecule experimental 879-37-8 174.1992 C10H10N2O DB08653 Tryptamine small molecule experimental 61-54-1 160.2157 C10H12N2 DB08654 TRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-1-OL small molecule experimental 163.2163 C10H13NO DB08655 9-ACETYL-2,3,4,9-TETRAHYDRO-1H-CARBAZOL-1-ONE small molecule experimental 227.2585 C14H13NO2 DB08656 5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide small molecule experimental 304.3856 C20H20N2O DB08657 2-(4-(2-((3-(5-(PYRIDIN-2-YLTHIO)THIAZOL-2-YL)UREIDO)METHYL)-1H-IMIDAZOL-4-YL)PHENOXY)ACETIC ACID small molecule experimental 482.535 C21H18N6O4S2 DB08658 ETHYL HYDROGEN DIETHYLAMIDOPHOSPHATE small molecule experimental 181.1699 C6H16NO3P DB08659 2-(hydrazinocarbonyl)-3-phenyl-1H-indole-5-sulfonamide small molecule experimental 330.362 C15H14N4O3S DB08660 Quinalizarin small molecule experimental 81-61-8 272.2097 C14H8O6 DB08661 1-(2,5-dideoxy-5-pyrrolidin-1-yl-beta-L-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione small molecule experimental 295.3342 C14H21N3O4 DB08662 3-[1-(4-BROMO-PHENYL)-2-METHYL-PROPYL]-4-HYDROXY-CHROMEN-2-ONE small molecule experimental 373.24 C19H17BrO3 DB08663 4-HYDROXY-7-METHOXY-3-(1-PHENYL-PROPYL)-CHROMEN-2-ONE small molecule experimental 310.3438 C19H18O4 DB08664 ({3-[1-(4-Hydroxy-2-oxo-2H-chromen-3-yl)-propyl]-phenylcarbamoyl}-methyl)-carbamic acid tert-butyl ester small molecule experimental 452.4996 C25H28N2O6 DB08665 6,11-DIHYDRO-11-ETHYL-6-METHYL-9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN-5-ONE small molecule experimental 298.2967 C15H14N4O3 DB08666 5-imino-4-(3-trifluoromethyl-phenylazo)-5H-pyrazol-3-ylamine small molecule experimental 268.203 C10H7F3N6 DB08667 4-(4-fluoro-phenylazo)-5-imino-5H-pyrazol-3-ylamine small molecule experimental 218.195 C9H7FN6 DB08668 3-(5-Amino-3-imino-3H-pyrazol-4-ylazo)-benzoic acid small molecule experimental 244.214 C10H8N6O2 DB08669 METHYL N-[(2S,3R)-3-AMINO-2-HYDROXY-3-(4-METHYLPHENYL)PROPANOYL]-D-ALANYL-D-LEUCINATE small molecule experimental 393.4772 C20H31N3O5 DB08670 METHYL N-[(2S,3R)-3-AMINO-2-HYDROXY-3-(4-ISOPROPYLPHENYL)PROPANOYL]-D-ALANYL-D-LEUCINATE small molecule experimental 421.5304 C22H35N3O5 DB08671 5-Imino-4-(2-trifluoromethyl-phenylazo)-5H-pyrazol-3-ylamine small molecule experimental 268.203 C10H7F3N6 DB08672 4-[(3R)-3-{[2-(4-FLUOROPHENYL)-2-OXOETHYL]AMINO}BUTYL]BENZAMIDE small molecule experimental 328.3806 C19H21FN2O2 DB08673 4-[(5-ISOPROPYL-1,3-THIAZOL-2-YL)AMINO]BENZENESULFONAMIDE small molecule experimental 297.396 C12H15N3O2S2 DB08674 (20S)-19,20,21,22-TETRAHYDRO-19-OXO-5H-18,20-ETHANO-12,14-ETHENO-6,10-METHENO-18H-BENZ[D]IMIDAZO[4,3-K][1,6,9,12]OXATRIAZA-CYCLOOCTADECOSINE-9-CARBONITRILE small molecule experimental 435.4772 C26H21N5O2 DB08675 (5Z)-7-{(1R,4S,5R,6R)-6-[(1E)-1-Octen-1-yl]-2,3-diazabicyclo[2.2.1]hept-2-en-5-yl}-5-heptenoic acid small molecule experimental 332.4803 C20H32N2O2 DB08676 (20S)-19,20,22,23-TETRAHYDRO-19-OXO-5H,21H-18,20-ETHANO-12,14-ETHENO-6,10-METHENOBENZ[D]IMIDAZO[4,3-L][1,6,9,13]OXATRIAZACYCLONOADECOSINE-9-CARBONITRILE small molecule experimental 453.5356 C27H27N5O2 DB08677 N-(5-Isopropyl-thiazol-2-YL)-2-pyridin-3-YL-acetamide small molecule experimental 261.343 C13H15N3OS DB08678 (4-ETHYLPHENYL)SULFAMIC ACID small molecule experimental 201.243 C8H11NO3S DB08680 N-{3-[(E)-(tert-butoxyimino)methyl]-4-chlorophenyl}-2-methylfuran-3-carbimidothioic acid small molecule experimental 172998-57-1 350.863 C17H19ClN2O2S DB08681 1-METHYL ETHYL 2-CHLORO-5-[[[(1-METHYLETHOXY)THIOOXO]METHYL]AMINO]-BENZOATE small molecule experimental 315.816 C14H18ClNO3S DB08682 1-METHYL ETHYL 1-CHLORO-5-[[(5,6DIHYDRO-2-METHYL-1,4-OXATHIIN-3-YL)CARBONYL]AMINO]BENZOATE small molecule experimental 355.836 C16H18ClNO4S DB08683 REL-(9R,12S)-9,10,11,12-TETRAHYDRO-9,12-EPOXY-1H-DIINDOLO[1,2,3-FG:3',2',1'-KL]PYRROLO[3,4-I][1,6]BENZODIAZOCINE-1,3(2H)-DIONE small molecule experimental 393.3942 C24H15N3O3 DB08684 O-Decyl Hydrogen Thiocarbonate small molecule experimental 218.356 C11H22O2S DB08685 1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-6-yl)methanamine small molecule experimental 191.2728 C11H17N3 DB08686 5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN-2-ONE small molecule experimental 312.4028 C20H24O3 DB08688 2-Undecanone small molecule experimental 112-12-9 170.2918 C11H22O DB08689 Ubiquinone Q1 small molecule experimental 727-81-1 250.2903 C14H18O4 DB08690 Ubiquinone Q2 small molecule experimental 606-06-4 318.4073 C19H26O4 DB08691 ethyl 3-[(E)-2-amino-1-cyanoethenyl]-6,7-dichloro-1-methyl-1H-indole-2-carboxylate small molecule experimental 338.189 C15H13Cl2N3O2 DB08692 D-1-(4-chlorophenyl)-2-(acetamido)ethane boronic acid small molecule experimental 258.486 C10H14BClNO4 DB08693 L-1-(4-chlorophenyl)-2-(acetamido)ethane boronic acid small molecule experimental 258.486 C10H14BClNO4 DB08694 Variolin B small molecule experimental 293.2834 C14H11N7O DB08695 3-(4-nitrophenyl)-1H-pyrazole small molecule experimental 189.1708 C9H7N3O2 DB08697 4-(2-aminoethoxy)-N-(3-chloro-5-piperidin-1-ylphenyl)-3,5-dimethylbenzamide small molecule experimental 401.93 C22H28ClN3O2 DB08698 1-[(3S)-5-PHENYL-3-THIOPHEN-2-YL-3H-1,4-BENZODIAZEPIN-2-YL]AZETIDIN-3-OL small molecule experimental 373.471 C22H19N3OS DB08699 1-tert-butyl-3-(3-methylbenzyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine small molecule experimental 295.3821 C17H21N5 DB08701 2-(3-BROMOPHENYL)-6-[(2-HYDROXYETHYL)AMINO]-1H-BENZO[DE]ISOQUINOLINE-1,3(2H)-DIONE small molecule experimental 411.249 C20H15BrN2O3 DB08702 2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACID small molecule experimental 308.2849 C18H12O5 DB08703 12-(2-hydroxyethyl)-2-(1-methylethoxy)-13,14-dihydronaphtho[2,1-a]pyrrolo[3,4-c]carbazol-5(12H)-one small molecule experimental 424.4911 C27H24N2O3 DB08704 [[(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(pentanoylamino)oxan-2-ylidene]amino] N-phenylcarbamate small molecule experimental 395.407 C18H25N3O7 DB08705 6-(5-BROMO-2-HYDROXYPHENYL)-2-OXO-4-PHENYL-1,2-DIHYDROPYRIDINE-3-CARBONITRILE small molecule experimental 367.196 C18H11BrN2O2 DB08706 (2S)-({(5Z)-5-[(5-Ethyl-2-furyl)methylene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl}amino)(4-fluorophenyl)acetic acid small molecule experimental 374.386 C18H15FN2O4S DB08707 4-[3-(4-chlorophenyl)-2,1-benzisoxazol-5-yl]pyrimidin-2-amine small molecule experimental 322.748 C17H11ClN4O DB08708 N-cyclohexyl-3-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[4,3-b]pyridazin-6-amine small molecule experimental 361.3642 C18H18F3N5 DB08709 2,3-diphenyl-1H-indole-7-carboxylic acid small molecule experimental 313.3493 C21H15NO2 DB08710 (5Z)-5-[(5-ethylfuran-2-yl)methylidene]-2-[[(S)-(4-fluorophenyl)-(2H-tetrazol-5-yl)methyl]amino]-1,3-thiazol-4-one small molecule experimental 398.414 C18H15FN6O2S DB08711 Methyl vanillate small molecule experimental 3943-74-6 182.1733 C9H10O4 DB08712 11-[(MERCAPTOCARBONYL)OXY]UNDECANOIC ACID small molecule experimental 262.366 C12H22O4S DB08713 2,6-DIMETHYL-1-(3-[3-METHYL-5-ISOXAZOLYL]-PROPANYL)-4-[2N-METHYL-2H-TETRAZOL-5-YL]-PHENOL small molecule experimental 327.3809 C17H21N5O2 DB08714 2,6-DIMETHYL-1-(3-[3-METHYL-5-ISOXAZOLYL]-PROPANYL)-4-[4-METHYL-2H-TETRAZOL-2-YL]-PHENOL small molecule experimental 327.3809 C17H21N5O2 DB08715 2,6-DIMETHYL-1-(3-[3-METHYL-5-ISOXAZOLYL]-PROPANYL)-4-[2-METHYL-4-ISOXAZOLYL]-PHENOL small molecule experimental 326.3896 C19H22N2O3 DB08717 [(2S)-4-methyl-3-oxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-yl]acetic acid small molecule experimental 234.2512 C12H14N2O3 DB08718 4-(3-ethylthiophen-2-yl)benzene-1,2-diol small molecule experimental 220.287 C12H12O2S DB08719 5-(5-(6-CHLORO-4-(4,5-DIHYDRO-2-OXAZOLYL)PHENOXY)PENTYL)-3-METHYL ISOXAZOLE small molecule experimental 348.824 C18H21ClN2O3 DB08720 5-(5-(4-(4,5-dihydro-2-oxazoly)phenoxy)pentyl)-3-methyl osoxazole small molecule experimental 314.3789 C18H22N2O3 DB08721 5-(5-(2,6-dichloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyl oxymethyleneoxymethyl) isoxazole small molecule experimental 473.347 C21H26Cl2N2O6 DB08722 5-(7-(6-chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methyl isoxazole small molecule experimental 390.904 C21H27ClN2O3 DB08723 WIN-54954 small molecule experimental 107355-45-3 383.269 C18H20Cl2N2O3 DB08724 5-(5-(4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methyl isoxazole small molecule experimental 328.4055 C19H24N2O3 DB08725 (S)-5-(7-(4-(4-Ethyl-4,5-dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole small molecule experimental 112270-39-0 370.4852 C22H30N2O3 DB08726 5-(7-(4-(4,5-dihydro-2-oxazolyl)phenoxy)heptyl)-3-methyl isoxazole small molecule experimental 342.432 C20H26N2O3 DB08727 3-Methyl-5-(7-{4-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy}heptyl)-1,2-oxazole small molecule experimental 98524-87-9 356.4586 C21H28N2O3 DB08728 5-(3-(2,6-dichloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)propyl)-3-methyl isoxazole small molecule experimental 355.216 C16H16Cl2N2O3 DB08729 5-ethoxy-4-(1-methyl-7-oxo-3-propyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)thiophene-2-sulfonamide small molecule experimental 397.472 C15H19N5O4S2 DB08730 3-FLUORO-5-MORPHOLIN-4-YL-N-[1-(2-PYRIDIN-4-YLETHYL)-1H-INDOL-6-YL]BENZAMIDE small molecule experimental 444.5007 C26H25FN4O2 DB08731 2-[(1R)-2-carboxy-1-(naphthalen-1-ylmethyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid small molecule experimental 403.3842 C23H17NO6 DB08732 NALPHA-[(BENZYLOXY)CARBONYL]-N-[(1R)-4-HYDROXY-1-METHYL-2-OXOBUTYL]-L-PHENYLALANINAMIDE small molecule experimental 398.4522 C22H26N2O5 DB08733 (2R,3R)-N^1^-[(1S)-2,2-DIMETHYL-1-(METHYLCARBAMOYL)PROPYL]-N^4^-HYDROXY-2-(2-METHYLPROPYL)-3-{[(1,3-THIAZOL-2-YLCARBONYL)AMINO]METHYL}BUTANEDIAMIDE small molecule experimental 455.572 C20H33N5O5S DB08734 6,6-DIMETHYL-1-[3-(2,4,5-TRICHLOROPHENOXY)PROPOXY]-1,6-DIHYDRO-1,3,5-TRIAZINE-2,4-DIAMINE small molecule experimental 394.684 C14H18Cl3N5O2 DB08735 R,S-Warfarin alcohol small molecule experimental 37571-78-1 310.3438 C19H18O4 DB08736 S,R-Warfarin alcohol small molecule experimental 40281-79-6 310.3438 C19H18O4 DB08737 (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-9-OL small molecule experimental 282.3337 C18H18O3 DB08738 1-{3-oxo-3-[(2S)-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]propyl}-3-phenylquinoxalin-2(1H)-one small molecule experimental 444.5255 C26H28N4O3 DB08739 2-{3-[(2S)-4,4-difluoro-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]-3-oxopropyl}-isoindole-1,3(2H)-dione small molecule experimental 405.3952 C20H21F2N3O4 DB08740 CYCLOHEXYLMETHYL-2,3-DIHYDROXY-5-METHYL-HEXYLAMIDE small molecule experimental 243.3856 C14H29NO2 DB08741 5-[[(2R)-2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl]methyl]pyrimidine-2,4-diamine small molecule experimental 354.403 C19H22N4O3 DB08742 1,3-CYCLOHEXANEDIOL, 4-METHYLENE-5-[(2E)-[(1S,3AS,7AS)-OCTAHYDRO-1-(5-HYDROXY-5-METHYL-1,3-HEXADIYNYL)-7A-METHYL-4H-INDEN-4-YLIDENE]ETHYLIDENE]-, (1R,3S,5Z) small molecule experimental 394.5464 C26H34O3 DB08743 2-({8-[(3R)-3-AMINOPIPERIDIN-1-YL]-1,3-DIMETHYL-2,6-DIOXO-1,2,3,6-TETRAHYDRO-7H-PURIN-7-YL}METHYL)BENZONITRILE small molecule experimental 393.4423 C20H23N7O2 DB08744 Casimiroin small molecule experimental 477-89-4 233.22 C12H11NO4 DB08745 4-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE small molecule experimental 475.003 C23H27ClN4O3S DB08746 1-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-4-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINE small molecule experimental 461.02 C23H29ClN4O2S DB08747 (11R)-10-acetyl-11-(2,4-dichlorophenyl)-6-hydroxy-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one small molecule experimental 445.338 C23H22Cl2N2O3 DB08748 4-(Dimethylamino)benzoic acid small molecule experimental 619-84-1 165.1891 C9H11NO2 DB08749 3-(2-AMINO-6-BENZOYLQUINAZOLIN-3(4H)-YL)-N-CYCLOHEXYL-N-METHYLPROPANAMIDE small molecule experimental 418.5313 C25H30N4O2 DB08750 1-[4-(AMINOMETHYL)BENZOYL]-5'-FLUORO-1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLIN]-4'-AMINE small molecule experimental 367.42 C20H22FN5O DB08751 N,N'-DIMETHYL-N-(ACETYL)-N'-(7-NITROBENZ-2-OXA-1,3-DIAZOL-4-YL)ETHYLENEDIAMINE small molecule experimental 293.2786 C12H15N5O4 DB08752 N-[(1S)-2-[(4-cyano-1-methylpiperidin-4-yl)amino]-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide small molecule experimental 405.5343 C21H35N5O3 DB08753 4-{(1E)-3-OXO-3-[(2-PHENYLETHYL)AMINO]PROP-1-EN-1-YL}-1,2-PHENYLENE DIACETATE small molecule experimental 367.3951 C21H21NO5 DB08754 N-Caffeoyltyramine small molecule experimental 103188-48-3 299.3212 C17H17NO4 DB08755 N-[(1S)-2-{[(1R)-2-(benzyloxy)-1-cyano-1-methylethyl]amino}-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide small molecule experimental 456.5777 C25H36N4O4 DB08756 Y-27632 small molecule experimental 146986-50-7 247.336 C14H21N3O DB08757 5-(2-chlorophenyl)furan-2-carbohydrazide small molecule experimental 236.654 C11H9ClN2O2 DB08758 IMIDAZO[2,1-A]ISOQUINOLINE-2-CARBOHYDRAZIDE small molecule experimental 226.234 C12H10N4O DB08759 [(3R,4S,5S,7R)-4,8-DIHYDROXY-3,5,7-TRIMETHYL-2-OXOOCTYL]PHOSPHONIC ACID small molecule experimental 266.2711 C11H23O5P DB08760 (2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid small molecule experimental 276.715 C15H13ClO3 DB08761 (3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione small molecule experimental 326.3465 C18H18N2O4 DB08762 O-(((1R)-((N-PHENYLMETHOXYCARBONYL-L-ALANYL)AMINO)ETHYL)HYDROXYPHOSPHONO)-L-BENZYLACETIC ACID small molecule experimental 478.4321 C22H27N2O8P DB08763 [N-(BENZYLOXYCARBONYL)AMINO](4-AMIDINOPHENYL)METHANE-PHOSPHONATE small molecule experimental 363.305 C16H18N3O5P DB08765 6-HYDROXY-1,3-BENZOTHIAZOLE-2-SULFONAMIDE small molecule experimental 230.264 C7H6N2O3S2 DB08766 Zofenoprilat small molecule experimental 75176-37-3 325.446 C15H19NO3S2 DB08767 2-(4-METHOXYPHENYL)ACETAMIDE small molecule experimental 165.1891 C9H11NO2 DB08768 N(6)-dimethylallyladenine small molecule experimental 2365-40-4 203.2437 C10H13N5 DB08770 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol small molecule experimental 337.336 C16H15N7O2 DB08771 (5R)-2-[(2-Fluorophenyl)amino]-5-isopropyl-1,3-thiazol-4(5H)-one small molecule experimental 252.308 C12H13FN2OS DB08772 Zopolrestat small molecule experimental 110703-94-1 419.377 C19H12F3N3O3S DB08773 2-(4-hydroxyphenyl)benzo[b]thiophen-6-ol small molecule experimental 63676-22-2 242.293 C14H10O2S DB08774 1-[(2S)-4-(5-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl)morpholin-2-yl]methanamine small molecule experimental 309.3657 C17H19N5O DB08775 Benzoyl-tyrosine-alanine-fluoro-methyl ketone small molecule experimental 402.4161 C21H23FN2O5 DB08776 N-(4-OXO-5,6,7,8-TETRAHYDRO-4H-[1,3]THIAZOLO[5,4-C]AZEPIN-2-YL)ACETAMIDE small molecule experimental 225.268 C9H11N3O2S DB08777 5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE small molecule experimental 206.264 C10H10N2OS DB08778 [4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl](phenyl)methanone small molecule experimental 275.369 C14H17N3OS DB08779 2-(methylsulfanyl)-5-(thiophen-2-ylmethyl)-1H-imidazol-4-ol small molecule experimental 226.318 C9H10N2OS2 DB08780 6-MORPHOLIN-4-YL-9H-PURINE small molecule experimental 205.2165 C9H11N5O DB08781 1-[(2S)-4-(5-BROMO-1H-PYRAZOLO[3,4-B]PYRIDIN-4-YL)MORPHOLIN-2-YL]METHANAMINE small molecule experimental 312.166 C11H14BrN5O DB08782 4-(2-AMINOETHYL)BENZENESULFONAMIDE small molecule experimental 200.258 C8H12N2O2S DB08783 (4-{(2S)-2-[(tert-butoxycarbonyl)amino]-3-methoxy-3-oxopropyl}phenyl)methaneseleninic acid small molecule experimental 404.32 C16H23NO6Se DB08784 2-(4-CHLORO-PHENYLAMINO)-NICOTINIC ACID small molecule experimental 248.665 C12H9ClN2O2 DB08785 4-Methylcoumarin small molecule experimental 607-71-6 160.1693 C10H8O2 DB08786 4-(2-methoxyethoxy)-6-methylpyrimidin-2-amine small molecule experimental 183.2077 C8H13N3O2 DB08787 4-(2,4-dichlorophenyl)-5-phenyldiazenyl-pyrimidin-2-amine small molecule experimental 344.198 C16H11Cl2N5 DB08788 3,6-DIAMINO-5-CYANO-4-(4-ETHOXYPHENYL)THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDE small molecule experimental 353.398 C17H15N5O2S DB08789 2-AMINO-4-(2,4-DICHLOROPHENYL)-N-ETHYLTHIENO[2,3-D]PYRIMIDINE-6-CARBOXAMIDE small molecule experimental 367.253 C15H12Cl2N4OS DB08790 1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID small molecule experimental 188.1827 C10H8N2O2 DB08791 1-[(2-NITROPHENYL)SULFONYL]-1H-PYRROLO[3,2-B]PYRIDINE-6-CARBOXAMIDE small molecule experimental 346.318 C14H10N4O5S DB08792 Diloxanide small molecule experimental 579-38-4 234.08 C9H9Cl2NO2 DB08795 Azidocillin small molecule experimental 17243-38-8 375.402 C16H17N5O4S DB08796 Pipazethate small molecule experimental 2167-85-3 399.507 C21H25N3O3S DB08798 Sulfamoxole small molecule experimental 729-99-7 267.304 C11H13N3O3S DB08800 Chloropyramine small molecule experimental 59-32-5 289.803 C16H20ClN3 DB08802 Isothipendyl small molecule experimental 482-15-5 285.407 C16H19N3S DB08803 Tymazoline small molecule experimental 24243-97-8 232.3214 C14H20N2O DB08805 Metiamide small molecule experimental 34839-70-8 244.38 C9H16N4S2 DB08806 Roxatidine acetate small molecule experimental 78628-28-1 348.4366 C19H28N2O4 DB08807 Bopindolol small molecule experimental 62658-63-3 380.48 C23H28N2O3 DB08808 Bupranolol small molecule experimental 14556-46-8 271.783 C14H22ClNO2 DB08811 Tofisopam small molecule experimental 22345-47-7 382.4528 C22H26N2O4 DB08830 Dehydroascorbic acid small molecule experimental 490-83-5 174.1082 C6H6O6 DB08831 2-deoxyglucose small molecule experimental 154-17-6 164.1565 C6H12O5 DB08833 Taurochenodeoxycholic acid small molecule experimental 516-35-8 499.704 C26H45NO6S DB08834 Tauroursodeoxycholic acid small molecule experimental 14605-22-2 499.71 C26H45NO6S DB08835 Spaglumic Acid small molecule experimental 4910-46-7 304.255 C11H16N2O8 DB08836 Temocapril small molecule experimental 111902-57-9 476.609 C23H28N2O5S2 DB08837 Tetraethylammonium small molecule experimental 66-40-0 130.2511 C8H20N DB08838 Agmatine small molecule experimental 306-60-5 130.1915 C5H14N4 DB08840 N-methylnicotinamide small molecule experimental 114-33-0 136.1512 C7H8N2O DB08845 Oxogluric acid small molecule experimental 328-50-7 146.0981 C5H6O5 DB08847 Hydroxyproline small molecule experimental 51-35-4 131.1299 C5H9NO3 DB08848 Guvacine small molecule experimental 498-96-4 127.1412 C6H9NO2 DB08849 Nipecotic acid small molecule experimental 498-95-3 129.159 C6H11NO2 DB08855 Leukotriene C4 small molecule experimental 72025-60-6 625.774 C30H47N3O9S DB08856 DADLE small molecule experimental 63631-40-3 569.659 C29H39N5O7 DB08858 cis-Diamminechlorocholylglycinateplatinum(II) small molecule experimental 191595-91-2 729.22 C26H48ClN3O6Pt DB08861 DPDPE small molecule experimental 88373-73-3 645.79 C30H39N5O7S2 DB08922 Perospirone small molecule experimental 150915-41-6 426.58 C23H30N4O2S DB08924 Amfecloral small molecule experimental 5581-35-1 264.579 C11H12Cl3N DB08926 Acediasulfone small molecule experimental 80-03-5 306.337 C14H14N2O4S DB08927 Amperozide small molecule experimental 75558-90-6 401.4927 C23H29F2N3O DB08928 Arsthinol small molecule experimental 119-96-0 347.285 C11H14AsNO3S2 DB08939 Letosteine small molecule experimental 53943-88-7 279.376 C10H17NO4S2 DB08940 Kebuzone small molecule experimental 853-34-9 322.3578 C19H18N2O3 DB08945 Iotroxic acid small molecule experimental 51022-74-3 1215.8131 C22H18I6N2O9 DB08957 Hexoprenaline small molecule experimental 3215-70-1 420.4993 C22H32N2O6 DB08960 Hexamethonium small molecule experimental 60-26-4 202.38 C12H30N2 DB08968 Fominoben small molecule experimental 18053-31-1 401.887 C21H24ClN3O3 DB08970 Fluprednidene small molecule experimental 2193-87-5 390.4452 C22H27FO5 DB08974 Flubendazole small molecule experimental 31430-15-6 313.2832 C16H12FN3O3 DB08979 Fenspiride small molecule experimental 5053-06-5 260.3315 C15H20N2O2 DB08982 Etozoline small molecule experimental 73-09-6 284.37 C13H20N2O3S DB08983 Etofibrate small molecule experimental 31637-97-5 363.792 C18H18ClNO5 DB08984 Etofenamate small molecule experimental 30544-47-9 369.335 C18H18F3NO4 DB08990 Eprazinone small molecule experimental 10402-90-1 380.532 C24H32N2O2 DB08991 Epirizole small molecule experimental 18694-40-1 234.2545 C11H14N4O2 DB08993 Enviomycin small molecule experimental 33103-22-9 685.69 C25H43N13O10 DB08994 Ditazole small molecule experimental 18471-20-0 324.3737 C19H20N2O3 DB08996 Dimetacrine small molecule experimental 4757-55-5 294.4338 C20H26N2 DB08998 Demexiptiline small molecule experimental 24701-51-7 278.3483 C18H18N2O DB09000 Cyamemazine small molecule experimental 3546-03-0 323.455 C19H21N3S DB09001 Barbexaclone small molecule experimental 4388-82-3 387.524 C22H33N3O3 DB09002 Cloperastine small molecule experimental 3703-76-2 329.864 C20H24ClNO DB09003 Clocapramine small molecule experimental 47739-98-0 481.073 C28H37ClN4O DB09006 Clinofibrate small molecule experimental 30299-08-2 468.59 C28H36O6 DB09008 Cefaloridine small molecule experimental 50-59-9 415.486 C19H17N3O4S2 DB09011 Beclamide small molecule experimental 501-68-8 197.661 C10H12ClNO DB09012 Carbazochrome small molecule experimental 69-81-8 236.231 C10H12N4O3 DB09013 Befunolol small molecule experimental 39552-01-7 291.347 C16H21NO4 DB09014 Captodiame small molecule experimental 486-17-9 359.592 C21H29NS2 DB09021 Benzoctamine small molecule experimental 17243-39-9 249.357 C18H19N DB09028 Cytisine small molecule experimental 485-35-8 190.2417 C11H14N2O DB09062 Cefminox small molecule experimental 84305-41-9 519.57 C16H21N7O7S3 DB00824 Enprofylline small molecule approved 41078-02-8 194.1906 C8H10N4O2 DB00837 Progabide small molecule experimental 62666-20-0 334.78 C17H16ClFN2O2 DB00856 Chlorphenesin small molecule approved 104-29-0 202.635 C9H11ClO3 DB00866 Alprenolol small molecule experimental 13655-52-2 249.3486 C15H23NO2 DB09147 Ferric pyrophosphate small molecule experimental 10058-44-3 745.21 Fe4O21P6 DB09166 Etizolam small molecule experimental 40054-69-1 342.846 C17H15ClN4S DB09175 Mirfentanil small molecule experimental 117523-47-4 376.46 C22H24N4O2 DB09179 R-30490 small molecule experimental 60618-49-7 380.532 C24H32N2O2 DB09181 Trefentanil small molecule experimental 120656-74-8 466.561 C25H31FN6O2 DB09186 Nisoxetine small molecule experimental 53179-07-0 271.36 C17H21NO2 DB09187 Lortalamine small molecule experimental 70384-91-7 292.76 C15H17ClN2O2 DB09188 Amedalin small molecule experimental 22136-26-1 294.398 C19H22N2O DB09189 Daledalin small molecule experimental 22136-27-2 280.415 C19H24N2 DB09190 Talopram small molecule experimental 7182-51-6 295.426 C20H25NO DB09191 Talsupram small molecule experimental 21489-20-3 311.49 C20H25NS DB09192 Tandamine small molecule experimental 42408-80-0 302.48 C18H26N2S DB09193 CP-39,332 small molecule experimental 61764-60-1 237.346 C17H19N DB09196 Lubazodone small molecule experimental 161178-07-0 251.301 C14H18FNO2 DB09197 Mepiprazole small molecule experimental 20326-12-9 304.82 C16H21ClN4 DB09198 Lobeglitazone small molecule experimental 607723-33-1 480.54 C24H24N4O5S DB09199 Netoglitazone small molecule experimental 161600-01-7 381.42 C21H16FNO3S DB09200 Rivoglitazone small molecule experimental 185428-18-6 397.45 C20H19N3O4S DB09201 Ciglitazone small molecule experimental 74772-77-3 333.45 C18H23NO3S DB09202 Cirazoline small molecule experimental 59939-16-1 216.284 C13H16N2O DB09203 Synephrine small molecule experimental 94-07-5 167.205 C9H13NO2 DB09206 Trimazosin small molecule experimental 35795-16-5 435.481 C20H29N5O6 DB09207 AS-8112 small molecule experimental 399.333 C17H27BrN4O2 DB09217 Firocoxib small molecule experimental 189954-96-9 336.4 C17H20O5S DB09218 Clonixin small molecule experimental 17737-65-4 262.69 C13H11ClN2O2 DB09221 Polaprezinc small molecule experimental 107667-60-7 289.6 C9H12N4O3Zn DB09227 Barnidipine small molecule experimental 104713-75-9 491.544 C27H29N3O6 DB09229 Aranidipine small molecule experimental 86780-90-7 388.376 C19H20N2O7 DB09231 Benidipine small molecule experimental 105979-17-7 505.571 C28H31N3O6 DB09233 Cronidipine small molecule experimental 113759-50-5 598.05 C30H32ClN3O8 DB09234 Darodipine small molecule experimental 72803-02-2 371.393 C19H21N3O5 DB09235 Efonidipine small molecule experimental 111011-63-3 631.666 C34H38N3O7P DB09239 Niguldipine small molecule experimental 113165-32-5 609.723 C36H39N3O6 DB09240 Niludipine small molecule experimental 22609-73-0 490.553 C25H34N2O8 DB09243 Hydracarbazine small molecule experimental 3614-47-9 153.145 C5H7N5O DB09244 Pirlindole small molecule experimental 60762-57-4 226.323 C15H18N2 DB09245 Toloxatone small molecule experimental 29218-27-7 207.229 C11H13NO3 DB09271 Cimetropium small molecule experimental 150521-16-7 358.457 C21H28NO4 DB09273 Doxofylline small molecule experimental 69975-86-6 266.257 C11H14N4O4 DB09283 Trapidil small molecule experimental 15421-84-8 205.265 C10H15N5 DB09285 Morniflumate small molecule experimental 65847-85-0 395.382 C19H20F3N3O3 DB09288 Propacetamol small molecule experimental 66532-85-2 264.325 C14H20N2O3 DB09295 Talniflumate small molecule experimental 66898-62-2 414.34 C21H13F3N2O4 DB09298 Silibinin small molecule experimental 22888-70-6 482.441 C25H22O10 DB09304 Setiptiline small molecule experimental 57262-94-9 261.368 C19H19N DB09305 Aptazapine small molecule experimental 71576-40-4 253.349 C16H19N3 DB09306 Metralindole small molecule experimental 54188-38-4 255.321 C15H17N3O DB09309 Kitasamycin small molecule experimental 1392-21-8 785.969 C40H67NO14 DB09338 Mersalyl small molecule experimental 486-67-9 483.87 C13H17HgNO6 DB09459 L-tartaric acid small molecule experimental 87-69-4 150.0868 C4H6O6 DB09501 Ferric ammonium citrate small molecule approved 1185-57-5 264.997 C6H11FeNO7 DB00954 Dirithromycin small molecule experimental 62013-04-1 835.086 C42H78N2O14 DB11107 Potassium bitartrate small molecule experimental 868-14-4 188.176 C4H5KO6 DB11109 Chlorine small molecule experimental 7782-50-5 70.906 Cl2 DB11128 Ammonium molybdate small molecule experimental 12054-85-2 1235.92 H32Mo7N6O28 DB11174 2-(l-menthoxy)ethanol small molecule experimental 75443-64-0 200.322 C12H24O2 DB11183 Light green SF yellowish small molecule approved 5141-20-8 792.848 C37H34N2Na2O9S3 DB11185 Sulisobenzone small molecule experimental 4065-45-6 308.3 C14H12O6S DB11192 L-threonic acid small molecule experimental 7306-96-9 136.1033 C4H8O5 DB11195 Xylitol small molecule experimental 87-99-0 152.1458 C5H12O5 DB11203 Boron small molecule experimental 7440-42-8 10.81 B DB11211 Calcium sulfide small molecule experimental 20548-54-3 72.14 CaS DB11226 Ethylhexyl methoxycrylene small molecule approved 947753-66-4 391.511 C25H29NO3 DB11233 Silver citrate small molecule experimental 126-45-4 512.704 C6H5Ag3O7 DB11244 Cyclomethicone 5 small molecule experimental 541-02-6 370.77 C10H30O5Si5 DB11250 Glyceryl monostearate small molecule experimental 31566-31-1 358.5558 C21H42O4 DB11259 Diosmetin small molecule experimental 520-34-3 300.2629 C16H12O6 DB11267 Triethoxycaprylylsilane small molecule experimental 2943-75-1 276.492 C14H32O3Si DB11268 Protocatechualdehyde small molecule experimental 139-85-5 138.1207 C7H6O3 DB11272 Methyl undecenoyl leucinate small molecule experimental 1246371-29-8 311.466 C18H33NO3 DB11281 Bismuth subcarbonate small molecule experimental 5892-10-4 509.967 CBi2O5 DB11285 Ethyl ferulate small molecule approved 4046-02-0 222.2372 C12H14O4 DB11288 Borneol small molecule experimental 507-70-0 154.2493 C10H18O DB11290 Aluminium tristearate small molecule experimental 637-12-7 877.3894 C54H105AlO6 DB11291 2-ethylhexyl benzoate small molecule experimental 5444-75-7 234.339 C15H22O2 DB11296 Prezatide small molecule experimental 49557-75-7 340.384 C14H24N6O4 DB11297 Palmitoyl oligopeptide small molecule experimental 147732-56-7 578.799 C30H54N6O5 DB11309 Sulfuric acid small molecule experimental 7664-93-9 98.078 H2O4S DB11318 1,2-Docosahexanoyl-sn-glycero-3-phosphoserine small molecule experimental 133831-23-9 880.097 C50H74NO10P DB11331 1-Palmitoyl-2-oleoyl-sn-glycero-3-(phospho-rac-(1-glycerol)) small molecule approved 185435-28-3 749.02 C40H77O10P DB11335 Ascorbyl glucoside small molecule experimental 129499-78-1 338.265 C12H18O11 DB11337 Zeatin small molecule experimental 1637-39-4 219.2431 C10H13N5O DB11344 (+)-menthol small molecule experimental 15356-60-2 156.269 C10H20O DB11345 (S)-camphor small molecule experimental 464-48-2 152.2334 C10H16O DB11349 Cetyl ethylhexanoate small molecule experimental 59130-69-7 368.646 C24H48O2 DB11364 Pidotimod small molecule experimental 121808-62-6 244.27 C9H12N2O4S DB11365 Sennosides small molecule experimental 517-43-1 862.746 C42H38O20 DB11368 Chlorophetanol small molecule experimental 1892-43-9 172.61 C8H9ClO2 DB11373 Amitraz small molecule experimental 33089-61-1 293.406 C19H23N3 DB11378 Buquinolate small molecule experimental 5486-03-3 361.438 C20H27NO5 DB11379 Butonate small molecule experimental 126-22-7 327.52 C8H14Cl3O5P DB11380 Cambendazole small molecule experimental 26097-80-3 302.35 C14H14N4O2S DB11385 Cefalonium small molecule experimental 5575-21-3 458.51 C20H18N4O5S2 DB11393 Danofloxacin small molecule experimental 112398-08-0 357.385 C19H20FN3O3 DB11394 Decoquinate small molecule experimental 18507-89-6 417.546 C24H35NO5 DB11396 Dichlorophen small molecule experimental 97-23-4 269.12 C13H10Cl2O2 DB11409 Febantel small molecule experimental 58306-30-2 446.48 C20H22N4O6S DB11413 Florfenicol small molecule experimental 73231-34-2 358.21 C12H14Cl2FNO4S DB11420 Squalane small molecule experimental 111-01-3 422.826 C30H62 DB11424 Lufenuron small molecule experimental 103055-07-8 511.15 C17H8Cl2F8N2O3 DB11425 Luprostiol small molecule experimental 67110-79-6 444.97 C21H29ClO6S DB11428 Medetomidine small molecule experimental 86347-14-0 200.2795 C13H16N2 DB11430 Monensin small molecule experimental 17090-79-8 670.881 C36H62O11 DB11432 Narasin small molecule experimental 55134-13-9 765.038 C43H72O11 DB11436 Nifurpirinol small molecule experimental 13411-16-0 246.222 C12H10N2O4 DB11438 Nitenpyram small molecule experimental 150824-47-8 270.72 C11H15ClN4O2 DB11447 Phenothiazine small molecule experimental 92-84-2 199.27 C12H9NS DB11449 Phthalofyne small molecule experimental 131-67-9 246.262 C14H14O4 DB11455 Robenacoxib small molecule experimental 220991-32-2 327.279 C16H13F4NO2 DB11456 Ronnel small molecule experimental 299-84-3 321.53 C8H8Cl3O3PS DB11478 Zeranol small molecule experimental 26538-44-3 322.401 C18H26O5 DB11480 Zoalene small molecule experimental 148-01-6 225.1583 C8H7N3O5 DB11490 Nalorphine small molecule experimental 62-67-9 311.381 C19H21NO3 DB11496 2-mercaptobenzothiazole small molecule approved 149-30-4 167.251 C7H5NS2 DB11497 Sulfotep small molecule experimental 3689-24-5 322.31 C8H20O5P2S2 DB11504 Caramiphen small molecule experimental 77-22-5 289.419 C18H27NO2 DB11517 Etymemazine small molecule experimental 326.5 C20H26N2S DB11540 Propiopromazine small molecule experimental 3568-24-9 340.49 C20H24N2OS DB11561 Aminacrine small molecule experimental 90-45-9 194.237 C13H10N2 DB11562 Bicuculline small molecule experimental 485-49-4 367.3521 C20H17NO6 DB11576 Ferric oxide small molecule experimental 1309-37-1 159.687 Fe2O3 DB11582 Thiocolchicoside small molecule experimental 602-41-5 563.62 C27H33NO10S DB11592 Nitrocefin small molecule experimental 41906-86-9 516.5 C21H16N4O8S2 DB11593 Isatoic anhydride small molecule experimental 118-48-9 163.132 C8H5NO3 DB11594 Domiphen small molecule approved 13900-14-6 334.567 C22H40NO DB11618 Zorubicin small molecule experimental 54083-22-6 645.665 C34H35N3O10 DB11620 Neridronic Acid small molecule experimental 79778-41-9 277.15 C6H17NO7P2 DB11623 Candoxatrilat small molecule experimental 123122-54-3 399.484 C20H33NO7 DB11638 Artenimol small molecule experimental 71939-50-9 284.352 C15H24O5 DB11672 Curcumin small molecule approved 458-37-7 368.3799 C21H20O6 DB11737 Icotinib small molecule experimental 610798-31-7 391.427 C22H21N3O4 DB11748 Benfotiamine small molecule approved 22457-89-2 466.45 C19H23N4O6PS DB11750 Clobetasol small molecule approved 25122-41-2 410.907 C22H28ClFO4