| 18 |  N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-ethoxybenzamide | C21H22N4O4S | 426.491 | 7 / 2 | 3.0 | Yes |
| 213 |  BAS 04995413 | C23H27N5O4 | 437.5 | 6 / 2 | 0.7 | Yes |
| 215 |  3,6-dichloro-1-benzothiophene-2-carboxylic acid | C9H4Cl2O2S | 247.089 | 3 / 1 | 4.1 | Yes |
| 221 |  SMR000066873 | C16H20N4O6 | 364.358 | 8 / 1 | 1.1 | Yes |
| 287 |  ethyl 6-(5-{[(8-bromo-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio]methyl}-2-oxo-2,3-dihydro-1H-imidazol-4-yl)-6-oxohexanoate | C22H23BrN6O4S | 547.428 | 8 / 2 | 2.0 | No |
| 300 |  BAS 00662566 | C8H12N4O3S | 244.269 | 5 / 3 | 0.2 | Yes |
| 424 |  MLS000065772 | C13H15N3OS3 | 325.463 | 6 / 1 | 4.0 | Yes |
| 450 |  MLS000686201 | C17H18N6O2S | 370.431 | 7 / 1 | 1.0 | Yes |
| 491 |  ethyl 2-[4-(cyanomethyl)-3-oxo-3,4-dihydro-2-quinoxalinyl]acetate | C14H13N3O3 | 271.276 | 5 / 0 | 1.1 | Yes |
| 495 |  4-[(6,7-diethoxy-4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-(3-methoxypropyl)benzamide | C24H29N3O5S | 471.572 | 6 / 2 | 2.9 | Yes |
| 559 |  CHEMBL1472919 | C24H28FN3O3S | 457.564 | 5 / 1 | 4.0 | Yes |
| 563 |  2-amino-3-benzoyl-N-(2-chlorophenyl)indolizine-1-carboxamide | C22H16ClN3O2 | 389.839 | 3 / 2 | 5.5 | No |
| 674 |  MLS001159884 | C20H25N3O4S | 403.497 | 6 / 1 | 2.7 | Yes |
| 731 |  CHEMBL1486479 | C18H16BrN5 | 382.265 | 4 / 1 | 4.6 | Yes |
| 783 |  CHEMBL1524350 | C28H29N3O4 | 471.557 | 4 / 1 | 3.7 | Yes |
| 1076 |  AC1MTBBI | C24H26N2O5S2 | 486.601 | 7 / 1 | 4.5 | Yes |
| 1122 |  MLS001218130 | C14H20N6OS | 320.415 | 6 / 2 | 2.6 | Yes |
| 1147 |  868968-75-6 | C20H18N6O3S | 422.463 | 8 / 1 | 2.0 | Yes |
| 1214 |  1h-naphtho[2,3-d]imidazole-4,9-dione | C11H6N2O2 | 198.181 | 3 / 1 | 1.7 | Yes |
| 1348 |  2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-N-(2-morpholinoethyl)acetamide | C20H21N3O4 | 367.405 | 5 / 1 | 1.2 | Yes |
| 1502 |  CHEMBL1396454 | C22H15F2N5 | 387.394 | 6 / 1 | 4.8 | Yes |
| 1659 |  6-bromo-N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-2-(4-methylphenyl)quinoline-4-carboxamide | C24H23BrN4O | 463.379 | 3 / 1 | 4.7 | Yes |
| 1694 |  CHEMBL1562390 | C17H13ClFN5 | 341.774 | 5 / 1 | 5.3 | No |
| 1891 |  Oprea1_767840 | C23H16FNO4 | 389.382 | 5 / 1 | 5.5 | No |
| 1947 |  ethyl 3-(4-(N,N-bis(2-methoxyethyl)sulfamoyl)benzamido)-5-phenylthiophene-2-carboxylate | C26H30N2O7S2 | 546.653 | 9 / 1 | 4.1 | No |
| 2004 |  CHEMBL1515521 | C23H25N3O6S | 471.528 | 7 / 2 | 1.8 | Yes |
| 521506 |  CHEMBL3715244 | C28H28F3N3O3 | 511.545 | 7 / 2 | 5.9 | No |
| 2086 |  ASN 04426639 | C16H25N5O3S | 367.468 | 6 / 0 | 0.9 | Yes |
| 2176 |  CHEMBL1357046 | C19H17ClN4O2S | 400.881 | 5 / 1 | 4.9 | Yes |
| 2234 |  SMR000634331 | C26H30N4O5S | 510.609 | 7 / 1 | 3.1 | No |
| 2327 |  MLS002161239 | C19H17NO5 | 339.347 | 5 / 1 | 3.3 | Yes |
| 2337 |  CHEMBL1474245 | C24H22ClN3O3S | 467.968 | 4 / 1 | 5.5 | No |
| 2396 |  CHEMBL1554375 | C18H17F3N2O3S | 398.4 | 7 / 1 | 2.7 | Yes |
| 2428 |  CHEMBL1336578 | C18H14F3N3O2S2 | 425.444 | 9 / 1 | 4.6 | Yes |
| 2903 |  AC1N8RBE | C19H21N5O5S2 | 463.527 | 9 / 1 | 1.7 | Yes |
| 2946 |  8-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-2-methyl-8,9-dihydropyrazolo[1,5-a]quinazolin-6(7H)-one | C25H22FN3O3 | 431.467 | 6 / 0 | 3.9 | Yes |
| 2985 |  AC1OSKCM | C20H23N3OS | 353.484 | 4 / 1 | 4.5 | Yes |
| 3035 |  CHEMBL1338308 | C22H20FN5OS | 421.494 | 6 / 1 | 3.7 | Yes |
| 3389 |  CHEMBL1516117 | C22H21FN2O3 | 380.419 | 4 / 1 | 4.3 | Yes |
| 3395 |  N-[3-(6-methyl[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]acetamide | C18H15N5O | 317.352 | 4 / 1 | 2.2 | Yes |
| 3654 |  2-(3-Cyano-6-methoxy-quinolin-2-ylsulfanyl)-N-cyclopropyl-acetamide | C16H15N3O2S | 313.375 | 5 / 1 | 2.6 | Yes |
| 521550 |  CHEMBL3715203 | C22H18F3N3O5S | 493.457 | 9 / 2 | 4.2 | Yes |
| 3869 |  CHEMBL1433681 | C20H18ClN3OS | 383.894 | 4 / 1 | 4.6 | Yes |
| 4011 |  5-(4-fluorophenyl)-4-(furan-2-ylcarbonyl)-3-hydroxy-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,5-dihydro-2H-pyrrol-2-one | C18H12FN3O4S2 | 417.429 | 9 / 1 | 3.7 | Yes |
| 4202 |  MLS000072923 | C24H24N6O3 | 444.495 | 6 / 2 | 0.7 | Yes |
| 4284 |  CHEMBL1331538 | C27H26N2O6 | 474.513 | 6 / 2 | 5.5 | No |
| 4526 |  MLS001043278 | C25H14O7 | 426.38 | 7 / 2 | 3.6 | Yes |
| 4881 |  MLS000727578 | C23H21BrN4O | 449.352 | 3 / 0 | 4.2 | Yes |
| 5160 |  CHEMBL1472621 | C26H24BrClN4O3S | 587.917 | 6 / 3 | 6.1 | No |
| 5186 |  CHEMBL1593216 | C18H20ClN3O2S | 377.887 | 4 / 2 | 3.7 | Yes |
| 5306 |  N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-phenoxyacetamide | C22H18N2O2S | 374.458 | 4 / 1 | 5.3 | No |
| 5332 |  AC1NLL93 | C16H16ClN3O5S | 397.83 | 7 / 1 | 1.7 | Yes |
| 5398 |  MLS000925214 | C20H21NO4S | 371.451 | 5 / 0 | 3.3 | Yes |
| 557429 |  CHEMBL1355684 | C24H17N3O5S | 459.476 | 7 / 3 | 4.1 | Yes |
| 5572 |  MLS000516332 | C13H14N4O4S2 | 354.399 | 7 / 3 | 0.7 | Yes |
| 5804 |  MLS000624282 | C19H21N7O3S | 427.483 | 8 / 0 | 0.8 | Yes |
| 5806 |  CHEMBL1514741 | C27H22N4O | 418.5 | 3 / 2 | 5.4 | No |
| 5930 |  CHEMBL1436510 | C22H19NO5S | 409.456 | 6 / 1 | 4.2 | Yes |
| 5933 |  SCHEMBL1549396 | C29H26N2O6 | 498.535 | 7 / 1 | 5.1 | No |
| 6302 |  CHEMBL1314411 | C24H30N4OS | 422.591 | 5 / 1 | 6.0 | No |
| 6370 |  AC1NPW2S | C14H11BrCl2N2O3 | 406.057 | 4 / 0 | 1.9 | Yes |
| 6374 |  CHEMBL1518991 | C18H16ClF3N2O4S | 448.841 | 8 / 1 | 3.4 | Yes |
| 6432 |  3-(3-methoxypropyl)-2-thioxo-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one | C14H14N2O2S2 | 306.398 | 4 / 1 | 2.8 | Yes |
| 6827 |  SMR000363287 | C17H19ClN2O7S2 | 462.916 | 8 / 0 | 3.2 | Yes |
| 6913 |  BAS 05541665 | C20H17Cl2NO5 | 422.258 | 5 / 1 | 4.1 | Yes |
| 7191 |  AC1MQQCV | C21H23N5O6S | 473.504 | 8 / 1 | 1.9 | Yes |
| 7301 |  7-(4-bromophenyl)-8-(4-hydroxyphenyl)-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione | C21H16BrN5O3 | 466.295 | 4 / 1 | 4.1 | Yes |
| 7351 |  AC1OBYQC | C18H12BrN5OS | 426.292 | 5 / 1 | 4.3 | Yes |
| 7619 |  SMR000624270 | C28H34N6O2 | 486.62 | 5 / 1 | 3.3 | Yes |
| 7641 |  CHEMBL1486082 | C17H14F2N4O3S2 | 424.441 | 9 / 1 | 2.7 | Yes |
| 7747 |  SCHEMBL1074387 | C24H19FN2O2 | 386.426 | 5 / 0 | 4.9 | Yes |
| 7773 |  MLS000094938 | C20H22N4O4S | 414.48 | 7 / 2 | 2.8 | Yes |
| 7942 |  AC1OBTDF | C19H15BrN4O3 | 427.258 | 4 / 1 | 3.3 | Yes |
| 8228 |  MLS001029173 | C24H31N7O3S | 497.618 | 8 / 2 | 1.9 | Yes |
| 8404 |  2-amino-1-(3-chlorophenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carbonitrile | C17H10ClN5 | 319.752 | 4 / 1 | 3.9 | Yes |
| 8475 |  SMR000624181 | C22H21BrN6O3S | 529.413 | 7 / 1 | 3.2 | No |
| 8586 |  N-(2,2-dimethoxyethyl)-11-oxo-11H-pyrido[2,1-b]quinazoline-8-carboxamide | C17H17N3O4 | 327.34 | 5 / 1 | 0.4 | Yes |
| 557518 |  2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]acetohydrazide | C17H18N6O5 | 386.368 | 7 / 2 | 0.2 | Yes |
| 8714 |  2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide | C17H17BrN4OS | 405.314 | 4 / 2 | 4.3 | Yes |
| 8736 |  CHEMBL1514567 | C21H18N2O2S | 362.447 | 4 / 0 | 4.0 | Yes |
| 8749 |  N-(4-chlorobenzyl)-2,4-dioxo-3-pentyl-1,2,3,4-tetrahydroquinazoline-7-carboxamide | C21H22ClN3O3 | 399.875 | 3 / 2 | 3.8 | Yes |
| 8766 |  MLS001225433 | C19H17FN4O3S2 | 432.488 | 8 / 2 | 3.3 | Yes |
| 8876 |  CHEMBL1357328 | C24H25ClN2O2S | 440.986 | 4 / 1 | 5.7 | No |
| 8902 |  7-hydroxy-3-(4-methoxyphenyl)-8-(morpholin-4-ylmethyl)chromen-2-one | C21H21NO5 | 367.401 | 6 / 1 | 2.6 | Yes |
| 9007 |  MLS000736527 | C23H20N4O2S2 | 448.559 | 4 / 4 | 5.5 | No |
| 9032 |  AC1LRK1U | C17H12ClN3O | 309.753 | 4 / 1 | 4.9 | Yes |
| 9045 |  MLS000732565 | C22H21F3N4O | 414.432 | 7 / 0 | 3.5 | Yes |
| 9074 |  MLS000849730 | C14H10BrClN2O2S3 | 449.78 | 6 / 1 | 4.9 | Yes |
| 9115 |  2-(3-Cyano-quinolin-2-ylsulfanyl)-N-cyclopropyl-acetamide | C15H13N3OS | 283.349 | 4 / 1 | 2.7 | Yes |
| 9177 |  CHEMBL1316937 | C25H21N3O6S | 491.518 | 7 / 1 | 3.6 | Yes |
| 9243 |  2-(methylsulfanyl)-5-[2-(methylsulfanyl)phenyl]-1,3,4-oxadiazole | C10H10N2OS2 | 238.323 | 5 / 0 | 2.8 | Yes |
| 9267 |  2-(4-chloro-3-methylphenoxy)-N-{1-ethyl-2-[(4-methylpiperidin-1-yl)methyl]-1H-benzimidazol-5-yl}acetamide | C25H31ClN4O2 | 454.999 | 4 / 1 | 4.8 | Yes |
| 9521 |  BAS 09528148 | C10H14N2O2S | 226.294 | 4 / 1 | 1.9 | Yes |
| 9734 |  MLS001124504 | C20H21N5O3S | 411.48 | 6 / 1 | 1.9 | Yes |
| 9736 |  N-(4-acetylphenyl)-4-(1H-tetrazol-1-yl)benzamide | C16H13N5O2 | 307.313 | 5 / 1 | 1.6 | Yes |
| 9915 |  CHEMBL1396103 | C18H16N2O2 | 292.338 | 3 / 2 | 3.1 | Yes |
| 9922 |  6,4'-DIMETHOXYFLAVONE | C17H14O4 | 282.295 | 4 / 0 | 3.5 | Yes |
| 9927 |  MLS000087711 | C20H16BrClN2O4 | 463.712 | 4 / 2 | 4.6 | Yes |
| 10036 |  AC1LHESS | C12H15BrN4O | 311.183 | 4 / 1 | 2.5 | Yes |
| 10065 |  CHEMBL1590799 | C23H21N5O2S2 | 463.574 | 7 / 1 | 5.4 | No |
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