Chemical compounds for High-Throughput screening and
Building Blocks for Combinatorial chemistry

FULL DB

Total number of items: 1540439
Total number of pages: 1541 ( 1000 items on each page )

Direct access:
1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, 100, 101, 102, 103, 104, 105, 106, 107, 108, 109, 110, 111, 112, 113, 114, 115, 116, 117, 118, 119, 120, 121, 122, 123, 124, 125, 126, 127, 128, 129, 130, 131, 132, 133 134, 135, 136, 137, 138, 139, 140, 141, 142, 143, 144, 145, 146, 147, 148, 149, 150, 151, 152, 153, 154, 155, 156, 157, 158, 159, 160, 161, 162, 163, 164, 165, 166, 167, 168, 169, 170, 171, 172, 173, 174, 175, 176, 177, 178, 179, 180, 181, 182, 183, 184, 185, 186, 187, 188, 189, 190, 191, 192, 193, 194, 195, 196, 197, 198, 199, 200, 201, 202, 203, 204, 205, 206, 207, 208, 209, 210, 211, 212, 213, 214, 215, 216, 217, 218, 219, 220, 221, 222, 223, 224, 225, 226, 227, 228, 229, 230, 231, 232, 233, 234, 235, 236, 237, 238, 239, 240, 241, 242, 243, 244, 245, 246, 247, 248, 249, 250, 251, 252, 253, 254, 255, 256, 257, 258, 259, 260, 261, 262, 263, 264, 265, 266, 267, 268, 269, 270, 271, 272, 273, 274, 275, 276, 277, 278, 279, 280, 281, 282, 283, 284, 285, 286, 287, 288, 289, 290, 291, 292, 293, 294, 295, 296, 297, 298, 299, 300, 301, 302, 303, 304, 305, 306, 307, 308, 309, 310, 311, 312, 313, 314, 315, 316, 317, 318, 319, 320, 321, 322, 323, 324, 325, 326, 327, 328, 329, 330, 331, 332, 333, 334, 335, 336, 337, 338, 339, 340, 341, 342, 343, 344, 345, 346, 347, 348, 349, 350, 351, 352, 353, 354, 355, 356, 357, 358, 359, 360, 361, 362, 363, 364, 365, 366, 367, 368, 369, 370, 371, 372, 373, 374, 375, 376, 377, 378, 379, 380, 381, 382, 383, 384, 385, 386, 387, 388, 389, 390, 391, 392, 393, 394, 395, 396, 397, 398, 399, 400, 401, 402, 403, 404, 405, 406, 407, 408, 409, 410, 411, 412, 413, 414, 415, 416, 417, 418, 419, 420, 421, 422, 423, 424, 425, 426, 427, 428, 429, 430, 431, 432, 433, 434, 435, 436, 437, 438, 439, 440, 441, 442, 443, 444, 445, 446, 447, 448, 449, 450, 451, 452, 453, 454, 455, 456, 457, 458, 459, 460, 461, 462, 463, 464, 465, 466, 467, 468, 469, 470, 471, 472, 473, 474, 475, 476, 477, 478, 479, 480, 481, 482, 483, 484, 485, 486, 487, 488, 489, 490, 491, 492, 493, 494, 495, 496, 497, 498, 499, 500, 501, 502, 503, 504, 505, 506, 507, 508, 509, 510, 511, 512, 513, 514, 515, 516, 517, 518, 519, 520, 521, 522, 523, 524, 525, 526, 527, 528, 529, 530, 531, 532, 533, 534, 535, 536, 537, 538, 539, 540, 541, 542, 543, 544, 545, 546, 547, 548, 549, 550, 551, 552, 553, 554, 555, 556, 557, 558, 559, 560, 561, 562, 563, 564, 565, 566, 567, 568, 569, 570, 571, 572, 573, 574, 575, 576, 577, 578, 579, 580, 581, 582, 583, 584, 585, 586, 587, 588, 589, 590, 591, 592, 593, 594, 595, 596, 597, 598, 599, 600, 601, 602, 603, 604, 605, 606, 607, 608, 609, 610, 611, 612, 613, 614, 615, 616, 617, 618, 619, 620, 621, 622, 623, 624, 625, 626, 627, 628, 629, 630, 631, 632, 633, 634, 635, 636, 637, 638, 639, 640, 641, 642, 643, 644, 645, 646, 647, 648, 649, 650, 651, 652, 653, 654, 655, 656, 657, 658, 659, 660, 661, 662, 663, 664, 665, 666, 667, 668, 669, 670, 671, 672, 673, 674, 675, 676, 677, 678, 679, 680, 681, 682, 683, 684, 685, 686, 687, 688, 689, 690, 691, 692, 693, 694, 695, 696, 697, 698, 699, 700, 701, 702, 703, 704, 705, 706, 707, 708, 709, 710, 711, 712, 713, 714, 715, 716, 717, 718, 719, 720, 721, 722, 723, 724, 725, 726, 727, 728, 729, 730, 731, 732, 733, 734, 735, 736, 737, 738, 739, 740, 741, 742, 743, 744, 745, 746, 747, 748, 749, 750, 751, 752, 753, 754, 755, 756, 757, 758, 759, 760, 761, 762, 763, 764, 765, 766, 767, 768, 769, 770, 771, 772, 773, 774, 775, 776, 777, 778, 779, 780, 781, 782, 783, 784, 785, 786, 787, 788, 789, 790, 791, 792, 793, 794, 795, 796, 797, 798, 799, 800, 801, 802, 803, 804, 805, 806, 807, 808, 809, 810, 811, 812, 813, 814, 815, 816, 817, 818, 819, 820, 821, 822, 823, 824, 825, 826, 827, 828, 829, 830, 831, 832, 833, 834, 835, 836, 837, 838, 839, 840, 841, 842, 843, 844, 845, 846, 847, 848, 849, 850, 851, 852, 853, 854, 855, 856, 857, 858, 859, 860, 861, 862, 863, 864, 865, 866, 867, 868, 869, 870, 871, 872, 873, 874, 875, 876, 877, 878, 879, 880, 881, 882, 883, 884, 885, 886, 887, 888, 889, 890, 891, 892, 893, 894, 895, 896, 897, 898, 899, 900, 901, 902, 903, 904, 905, 906, 907, 908, 909, 910, 911, 912, 913, 914, 915, 916, 917, 918, 919, 920, 921, 922, 923, 924, 925, 926, 927, 928, 929, 930, 931, 932, 933, 934, 935, 936, 937, 938, 939, 940, 941, 942, 943, 944, 945, 946, 947, 948, 949, 950, 951, 952, 953, 954, 955, 956, 957, 958, 959, 960, 961, 962, 963, 964, 965, 966, 967, 968, 969, 970, 971, 972, 973, 974, 975, 976, 977, 978, 979, 980, 981, 982, 983, 984, 985, 986, 987, 988, 989, 990, 991, 992, 993, 994, 995, 996, 997, 998, 999, 1000, 1001, 1002, 1003, 1004, 1005, 1006, 1007, 1008, 1009, 1010, 1011, 1012, 1013, 1014, 1015, 1016, 1017, 1018, 1019, 1020, 1021, 1022, 1023, 1024, 1025, 1026, 1027, 1028, 1029, 1030, 1031, 1032, 1033, 1034, 1035, 1036, 1037, 1038, 1039, 1040, 1041, 1042, 1043, 1044, 1045, 1046, 1047, 1048, 1049, 1050, 1051, 1052, 1053, 1054, 1055, 1056, 1057, 1058, 1059, 1060, 1061, 1062, 1063, 1064, 1065, 1066, 1067, 1068, 1069, 1070, 1071, 1072, 1073, 1074, 1075, 1076, 1077, 1078, 1079, 1080, 1081, 1082, 1083, 1084, 1085, 1086, 1087, 1088, 1089, 1090, 1091, 1092, 1093, 1094, 1095, 1096, 1097, 1098, 1099, 1100, 1101, 1102, 1103, 1104, 1105, 1106, 1107, 1108, 1109, 1110, 1111, 1112, 1113, 1114, 1115, 1116, 1117, 1118, 1119, 1120, 1121, 1122, 1123, 1124, 1125, 1126, 1127, 1128, 1129, 1130, 1131, 1132, 1133, 1134, 1135, 1136, 1137, 1138, 1139, 1140, 1141, 1142, 1143, 1144, 1145, 1146, 1147, 1148, 1149, 1150, 1151, 1152, 1153, 1154, 1155, 1156, 1157, 1158, 1159, 1160, 1161, 1162, 1163, 1164, 1165, 1166, 1167, 1168, 1169, 1170, 1171, 1172, 1173, 1174, 1175, 1176, 1177, 1178, 1179, 1180, 1181, 1182, 1183, 1184, 1185, 1186, 1187, 1188, 1189, 1190, 1191, 1192, 1193, 1194, 1195, 1196, 1197, 1198, 1199, 1200, 1201, 1202, 1203, 1204, 1205, 1206, 1207, 1208, 1209, 1210, 1211, 1212, 1213, 1214, 1215, 1216, 1217, 1218, 1219, 1220, 1221, 1222, 1223, 1224, 1225, 1226, 1227, 1228, 1229, 1230, 1231, 1232, 1233, 1234, 1235, 1236, 1237, 1238, 1239, 1240, 1241, 1242, 1243, 1244, 1245, 1246, 1247, 1248, 1249, 1250, 1251, 1252, 1253, 1254, 1255, 1256, 1257, 1258, 1259, 1260, 1261, 1262, 1263, 1264, 1265, 1266, 1267, 1268, 1269, 1270, 1271, 1272, 1273, 1274, 1275, 1276, 1277, 1278, 1279, 1280, 1281, 1282, 1283, 1284, 1285, 1286, 1287, 1288, 1289, 1290, 1291, 1292, 1293, 1294, 1295, 1296, 1297, 1298, 1299, 1300, 1301, 1302, 1303, 1304, 1305, 1306, 1307, 1308, 1309, 1310, 1311, 1312, 1313, 1314, 1315, 1316, 1317, 1318, 1319, 1320, 1321, 1322, 1323, 1324, 1325, 1326, 1327, 1328, 1329, 1330, 1331, 1332, 1333, 1334, 1335, 1336, 1337, 1338, 1339, 1340, 1341, 1342, 1343, 1344, 1345, 1346, 1347, 1348, 1349, 1350, 1351, 1352, 1353, 1354, 1355, 1356, 1357, 1358, 1359, 1360, 1361, 1362, 1363, 1364, 1365, 1366, 1367, 1368, 1369, 1370, 1371, 1372, 1373, 1374, 1375, 1376, 1377, 1378, 1379, 1380, 1381, 1382, 1383, 1384, 1385, 1386, 1387, 1388, 1389, 1390, 1391, 1392, 1393, 1394, 1395, 1396, 1397, 1398, 1399, 1400, 1401, 1402, 1403, 1404, 1405, 1406, 1407, 1408, 1409, 1410, 1411, 1412, 1413, 1414, 1415, 1416, 1417, 1418, 1419, 1420, 1421, 1422, 1423, 1424, 1425, 1426, 1427, 1428, 1429, 1430, 1431, 1432, 1433, 1434, 1435, 1436, 1437, 1438, 1439, 1440, 1441, 1442, 1443, 1444, 1445, 1446, 1447, 1448, 1449, 1450, 1451, 1452, 1453, 1454, 1455, 1456, 1457, 1458, 1459, 1460, 1461, 1462, 1463, 1464, 1465, 1466, 1467, 1468, 1469, 1470, 1471, 1472, 1473, 1474, 1475, 1476, 1477, 1478, 1479, 1480, 1481, 1482, 1483, 1484, 1485, 1486, 1487, 1488, 1489, 1490, 1491, 1492, 1493, 1494, 1495, 1496, 1497, 1498, 1499, 1500, 1501, 1502, 1503, 1504, 1505, 1506, 1507, 1508, 1509, 1510, 1511, 1512, 1513, 1514, 1515, 1516, 1517, 1518, 1519, 1520, 1521, 1522, 1523, 1524, 1525, 1526, 1527, 1528, 1529, 1530, 1531, 1532, 1533, 1534, 1535, 1536, 1537, 1538, 1539, 1540, 1541,

Prev 130 131 132 133 134 135 136 137 138 139 Next

STK524957
Synonyms: 3,7- bis(2- hydroxyethyl)- 1,5- diphenyl- 3,7- diazabicyclo[3.3.1]nonan- 9- one
Smiles: OCCN1CC2(CN(CC(C1)(C2=O)c1ccccc1)CCO)c1ccccc1

STK524959
Synonyms: (3aR,6aR)- 5- (3- methoxyphenyl)- 3- [(4- nitrophenyl)carbonyl]- 3a,6a- dihydropyrrolo[3,4- c]pyrazole- 4,6(1H,5H)- dione
Smiles: COc1cccc(c1)N1C(=O)[C@@H]2[C@H](C1=O)NN=C2C(=O)c1ccc(cc1)[N+](=O)[O-]

STK524960
Synonyms: 5- [(2- chlorophenyl){[2- (piperidin- 1- yl)ethyl]amino}methylidene]- 1,3- dimethylpyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: O=C1N(C)C(=O)C(=C(c2ccccc2Cl)NCCN2CCCCC2)C(=O)N1C

STK524961
Synonyms: ethyl[(5- butyl- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinolin- 8- yl)sulfanyl]acetate
Smiles: CCCCc1nc2sc3c(c2c2c1CCCC2)ncnc3SCC(=O)OCC

STK524962
Synonyms: N- [(E)- (3- chlorophenyl)methylidene]- 5- ethyl- 1,3,4- thiadiazol- 2- amine
Smiles: CCc1nnc(s1)/N=C/c1cccc(c1)Cl

STK524964
Synonyms: 8- [4- (8- methyl- 1,2,3a,4,5,6- hexahydro- 3H- pyrazino[3,2,1- jk]carbazol- 3- yl)butyl]- 8- azaspiro[4.5]decane- 7,9- dione
Smiles: Cc1ccc2c(c1)c1CCCC3c1n2CCN3CCCCN1C(=O)CC2(CC1=O)CCCC2

STK524965
Synonyms: N,N'- dicyclohexyl- 1,4,10,13- tetraoxa- 7,16- diazacyclooctadecane- 7,16- dicarbothioamide
Smiles: S=C(N1CCOCCOCCN(CCOCCOCC1)C(=S)NC1CCCCC1)NC1CCCCC1

STK524968
Synonyms: 1- (4- butoxyphenyl)- 3- [2- (butylsulfanyl)- 6- methylpyrimidin- 4- yl]thiourea
Smiles: CCCCOc1ccc(cc1)NC(=S)Nc1cc(C)nc(n1)SCCCC

STK524969
Synonyms: 8- butyl- 6- (dipropylamino)- 3,3- dimethyl- 3,4- dihydro- 1H- thiopyrano[3,4- c]pyridine- 5- carbonitrile
Smiles: CCCCc1nc(N(CCC)CCC)c(c2c1CSC(C2)(C)C)C#N

STK524970
Synonyms: 5- methyl- N- (2- phenylethyl)- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinolin- 8- amine
Smiles: Cc1nc2sc3c(c2c2c1CCCC2)ncnc3NCCc1ccccc1

STK524971
Synonyms: 4- (4- tert- butylphenyl)- 2- [(4- chlorobenzyl)sulfanyl]- 6- (thiophen- 2- yl)pyridine- 3- carbonitrile
Smiles: N#Cc1c(SCc2ccc(cc2)Cl)nc(cc1c1ccc(cc1)C(C)(C)C)c1cccs1

STK524974
Synonyms: 3- amino- 2- (propan- 2- yl)- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: CC(c1nc2sc3c(c2c(=O)n1N)CCCC3)C

STK524977
Synonyms: 2- [(4- ethoxyphenyl)acetyl]- N- methylhydrazinecarbothioamide
Smiles: CCOc1ccc(cc1)CC(=O)NNC(=S)NC

STK524978
Synonyms: 2- (ethylsulfanyl)- 3- phenyl- 7- (propan- 2- yl)- 5,6,7,8- tetrahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: CCSc1nc2sc3c(c2c(=O)n1c1ccccc1)CCN(C3)C(C)C

STK524979
Synonyms: N- {(1Z)- 3- [(4- methylphenyl)amino]- 3- oxo- 1- phenylprop- 1- en- 2- yl}benzamide
Smiles: Cc1ccc(cc1)NC(=O)/C(=C/c1ccccc1)/NC(=O)c1ccccc1

STK524980
Synonyms: 4,4'- (2,4,8,10- tetraoxaspiro[5.5]undecane- 3,9- diyl)bis(2,6- di- tert- butylphenol)
Smiles: CC(c1cc(cc(c1O)C(C)(C)C)C1OCC2(CO1)COC(OC2)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)(C)C

STK524981
Synonyms: N'- [(E)- (5- bromo- 2- methoxyphenyl)methylidene]- 2- [2- (pyridin- 2- yl)- 1H- benzimidazol- 1- yl]acetohydrazide
Smiles: COc1ccc(cc1/C=N/NC(=O)Cn1c(nc2c1cccc2)c1ccccn1)Br

STK524987
Synonyms: ethyl[5- (N,N- dimethyl- beta- alanyl)- 10,11- dihydro- 5H- dibenzo[b,f]azepin- 3- yl]carbamate
Smiles: CCOC(=O)Nc1ccc2c(c1)N(C(=O)CCN(C)C)c1ccccc1CC2

STK524988
Synonyms: 1,3- dichloro- 7- cyclohexyl- 5,6,7,8- tetrahydro- 2,7- naphthyridine- 4- carbonitrile
Smiles: N#Cc1c(Cl)nc(c2c1CCN(C2)C1CCCCC1)Cl

STK524989
Synonyms: 1- [4- (3- methylbutoxy)phenyl]- 3- (piperidin- 1- yl)propan- 1- one
Smiles: CC(CCOc1ccc(cc1)C(=O)CCN1CCCCC1)C

STK524990
Synonyms: 3- (4- chlorophenoxy)- 4- oxo- 2- (trifluoromethyl)- 4H- chromen- 7- ylN- [(benzyloxy)carbonyl]- D- alaninate
Smiles: O=C(N[C@@H](C(=O)Oc1ccc2c(c1)oc(c(c2=O)Oc1ccc(cc1)Cl)C(F)(F)F)C)OCc1ccccc1

STK524992
Synonyms: N'- [(1,3- dimethyl- 2,4,6- trioxotetrahydropyrimidin- 5(2H)- ylidene)methyl]pyridine- 4- carbohydrazide
Smiles: CN1C(=O)N(C)C(=O)C(=CNNC(=O)c2ccncc2)C1=O

STK524993
Synonyms: 2- {[(E)- phenyl(1,3,5- triazatricyclo[3.3.1.1~3,7~]dec- 7- yl)methylidene]amino}ethanol
Smiles: OCC/N=C(/C12CN3CN(C2)CN(C1)C3)\c1ccccc1

STK524994
Synonyms: 5- bromo- 3- methyl- 6- {[(1- phenyl- 1H- tetrazol- 5- yl)sulfanyl]methyl}imidazo[2,1- b][1,3]thiazole
Smiles: Cc1csc2n1c(Br)c(n2)CSc1nnnn1c1ccccc1

STK524995
Synonyms: methyl5- {[5- (morpholin- 4- yl)- 8- oxo- 1,3,4,8- tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3- c]isoquinolin- 9(2H)- yl]methyl}furan- 2- carboxylate
Smiles: COC(=O)c1ccc(o1)Cn1nnc2c(c1=O)sc1c2c2CCCCc2c(n1)N1CCOCC1

STK524996
Synonyms: N- [(5Z)- 2,3- diphenyl- 1,2,4- thiadiazol- 5(2H)- ylidene]- N',N''- diphenylphosphorictriamide
Smiles: O=P(/N=c\1/nc(n(s1)c1ccccc1)c1ccccc1)(Nc1ccccc1)Nc1ccccc1

STK524999
Synonyms: 5- [4- (2- methylpropoxy)benzyl]- 2- sulfanylpyrimidine- 4,6- diol
Smiles: CC(COc1ccc(cc1)Cc1c(O)nc(nc1O)S)C

STK525002
Synonyms: benzylN- {(2E)- 3- (3- nitrophenyl)- 2- [(phenylcarbonyl)amino]prop- 2- enoyl}leucinate
Smiles: CC(CC(C(=O)OCc1ccccc1)NC(=O)/C(=C\c1cccc(c1)[N+](=O)[O-])/NC(=O)c1ccccc1)C

STK525003
Synonyms: 1- cyclopropyl- 7- (3- methylpiperazin- 1- yl)- 6- nitro- 4- oxo- 1,4- dihydroquinoline- 3- carboxylicacid
Smiles: CC1NCCN(C1)c1cc2c(cc1[N+](=O)[O-])c(=O)c(cn2C1CC1)C(=O)O

STK525004
Synonyms: 4- benzyl- 1- (propylsulfanyl)- 4H- spiro[benzo[h][1,2,4]triazolo[4,3- a]quinazoline- 6,1'- cyclohexan]- 5(7H)- one
Smiles: CCCSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2Cc1ccccc1)CCCCC3

STK525005
Synonyms: (5Z)- 5- (5- bromo- 2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene)- 3- (4- hydroxyphenyl)- 1,3- thiazolidine- 2,4- dione
Smiles: Oc1ccc(cc1)N1C(=O)S/C(=C/2\C(=O)Nc3c2cc(Br)cc3)/C1=O

STK525006
Synonyms: [(2Z)- 4- oxo- 2- {(2E)- [4- (propan- 2- yloxy)benzylidene]hydrazinylidene}- 1,3- thiazolidin- 5- yl]aceticacid
Smiles: CC(Oc1ccc(cc1)/C=N/N=C/1\SC(C(=O)N1)CC(=O)O)C

STK525007
Synonyms: 3,3,8- trimethyl- 6- oxo- 3,4,6,7- tetrahydro- 1H- thiopyrano[3,4- c]pyridine- 5- carbonitrile
Smiles: N#Cc1c(=O)[nH]c(c2c1CC(C)(C)SC2)C

STK525008
Synonyms: 2- [(5- butyl- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinolin- 8- yl)sulfanyl]acetamide
Smiles: CCCCc1nc2sc3c(c2c2c1CCCC2)ncnc3SCC(=O)N

STK525009
Synonyms: 6- (dibutylamino)- 3,3- dimethyl- 8- (propan- 2- yl)- 3,4- dihydro- 1H- pyrano[3,4- c]pyridine- 5- carbonitrile
Smiles: CCCCN(c1nc(C(C)C)c2c(c1C#N)CC(OC2)(C)C)CCCC

STK525010
Synonyms: 7- tert- butyl- 2- [(4- methylbenzyl)sulfanyl]- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4- amine
Smiles: Cc1ccc(cc1)CSc1nc(N)c2c(n1)sc1c2CCC(C1)C(C)(C)C

STK525011
Synonyms: (2S,3S,12aR)- 2- phenyl- 3- (phenylcarbonyl)- 2,3- dihydrobenzo[f]pyrrolo[1,2- a]quinoline- 1,1(12aH)- dicarbonitrile
Smiles: N#CC1(C#N)[C@H]2C=Cc3c(N2[C@@H]([C@H]1c1ccccc1)C(=O)c1ccccc1)ccc1c3cccc1

STK525012
Synonyms: (2E,4E)- 3- methyl- 5- (naphthalen- 2- yl)penta- 2,4- dienoicacid
Smiles: OC(=O)/C=C(/C=C/c1ccc2c(c1)cccc2)\C

STK525013
Synonyms: (3Z)- 3- [2- (4- nitrophenyl)hydrazinylidene]- 1,3- dihydro- 2H- [1]benzofuro[3,2- f]indol- 2- one
Smiles: O=C1Nc2c(/C/1=N/Nc1ccc(cc1)[N+](=O)[O-])cc1c(c2)oc2c1cccc2

STK525014
Synonyms: 7- tert- butyl- 2- [(3- methylbutyl)sulfanyl]- 3- (prop- 2- en- 1- yl)- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: C=CCn1c(SCCC(C)C)nc2c(c1=O)c1CCC(Cc1s2)C(C)(C)C

STK525015
Synonyms: N- benzyl- N- (cyclohexylmethyl)benzamide
Smiles: O=C(c1ccccc1)N(Cc1ccccc1)CC1CCCCC1

STK525017
Synonyms: 1- (benzylsulfanyl)- 8- methyl- 4- phenyl- 6,7,8,9- tetrahydropyrido[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: CN1CCc2c(C1)sc1c2c(=O)n(c2n1c(SCc1ccccc1)nn2)c1ccccc1

STK525019
Synonyms: 3- benzyl- 7- (2- bromobenzyl)- 1,5- dimethyl- 3,7- diazabicyclo[3.3.1]nonane
Smiles: Brc1ccccc1CN1CC2(C)CN(CC(C1)(C2)C)Cc1ccccc1

STK525020
Synonyms: (5Z)- 5- {3- [(1,3- dioxo- 1,3- dihydro- 2H- isoindol- 2- yl)methyl]- 4- methoxybenzylidene}- 1- (2- ethoxyphenyl)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCOc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(c(c2)CN2C(=O)c3c(C2=O)cccc3)OC)/C1=O

STK525021
Synonyms: (2S,3R,10bS)- 3- [(4- fluorophenyl)carbonyl]- 2- (thiophen- 3- yl)- 2,3- dihydropyrrolo[2,1- a]isoquinoline- 1,1(10bH)- dicarbonitrile
Smiles: N#CC1(C#N)[C@@H](c2ccsc2)[C@@H](N2[C@H]1c1ccccc1C=C2)C(=O)c1ccc(cc1)F

STK525024
Synonyms: (4E)- 4- benzylidene- 11- phenyl- 1,2,3,4,11,11a- hexahydrodibenzo[b,e][1,4]thiazepine
Smiles: c1ccc(cc1)/C=C/1\CCCC2C1=Nc1ccccc1SC2c1ccccc1

STK525026
Synonyms: 2- [(2,4- dimethylbenzyl)sulfanyl]- 6,6- dimethyl- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- amine
Smiles: Cc1ccc(c(c1)C)CSc1nc(N)c2c(n1)sc1c2CC(OC1)(C)C

STK525030
Synonyms: 6- methyl- 2- {[(2E)- 3- phenylprop- 2- en- 1- yl]sulfanyl}- 4- (thiophen- 3- yl)- 5,6,7,8- tetrahydro- 1,6- naphthyridine- 3- carbonitrile
Smiles: N#Cc1c(SC/C=C/c2ccccc2)nc2c(c1c1ccsc1)CN(CC2)C

STK525031
Synonyms: ethyl1- {[(E)- ethoxymethylidene]amino}- 8,8- dimethyl- 5- (2- methylpropyl)- 8,9- dihydro- 6H- pyrano[4,3- d]thieno[2,3- b]pyridine- 2- carboxylate
Smiles: CCOC(=O)c1sc2c(c1/N=C/OCC)c1CC(C)(C)OCc1c(n2)CC(C)C

STK525033
Synonyms: 9- amino- 5- methyl- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinolin- 8(9H)- one
Smiles: Cc1nc2sc3c(c2c2c1CCCC2)ncn(c3=O)N

STK525034
Synonyms: 3'- ethyl- 1',3'- dimethyl- 1',3'- dihydrospiro[benzo[f]chromene- 3,2'- indole]
Smiles: CCC1(C)c2ccccc2N(C21C=Cc1c(O2)ccc2c1cccc2)C

STK525037
Synonyms: 7- tert- butyl- 2- (ethylsulfanyl)- 3- (2- methylprop- 2- en- 1- yl)- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: CCSc1nc2sc3c(c2c(=O)n1CC(=C)C)CCC(C3)C(C)(C)C

STK525038
Synonyms: 3- [4- (4- chlorophenyl)- 1,3- thiazol- 2- yl]- 2H- chromen- 2- imine
Smiles: Clc1ccc(cc1)c1csc(n1)c1cc2ccccc2oc1=N

STK525039
Synonyms: 8- ethyl- 3,3- dimethyl- 6- {4- [(4- methylphenyl)sulfonyl]piperazin- 1- yl}- 3,4- dihydro- 1H- thiopyrano[3,4- c]pyridine- 5- carbonitrile
Smiles: N#Cc1c(nc(c2c1CC(C)(C)SC2)CC)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C

STK525040
Synonyms: (4R,5R,6S)- 3- cyano- 2- (cyanoamino)- 6- hydroxy- 4- phenyl- 5- (pyridinium- 1- yl)- 6- (thiophen- 2- yl)piperidin- 2- ide
Smiles: N#CC1[C-](NC#N)N[C@@]([C@@H]([C@H]1c1ccccc1)[n+]1ccccc1)(O)c1cccs1

STK525041
Synonyms: N- [(1Z)- 1- (9- methyl- 9H- carbazol- 3- yl)- 3- (morpholin- 4- yl)- 3- oxoprop- 1- en- 2- yl]benzamide
Smiles: O=C(/C(=C/c1ccc2c(c1)c1ccccc1n2C)/NC(=O)c1ccccc1)N1CCOCC1

STK525042
Synonyms: N- {2- [(2E)- 2- (5- bromo- 2- methoxybenzylidene)hydrazinyl]- 2- oxoethyl}- 2,3- dihydro- 1,4- benzodioxine- 2- carboxamide(non- preferredname)
Smiles: COc1ccc(cc1/C=N/NC(=O)CNC(=O)C1COc2c(O1)cccc2)Br

STK525044
Synonyms: {(2Z)- 2- [(2E)- {1- [4- (2- methylpropoxy)phenyl]ethylidene}hydrazinylidene]- 4- oxo- 1,3- thiazolidin- 5- yl}aceticacid
Smiles: CC(COc1ccc(cc1)/C(=N/N=C\1/NC(=O)C(S1)CC(=O)O)/C)C

STK525046
Synonyms: 2- (4- benzyl- 1,2,5- trimethylpiperidin- 4- yl)- N- (3,4- dimethoxybenzyl)ethanamine
Smiles: COc1cc(CNCCC2(Cc3ccccc3)CC(C)N(CC2C)C)ccc1OC

STK525048
Synonyms: N- (diphenylmethyl)- N~2~,N~2~- bis(2- hydroxy- 3- phenoxypropyl)glycinamide
Smiles: OC(CN(CC(=O)NC(c1ccccc1)c1ccccc1)CC(COc1ccccc1)O)COc1ccccc1

STK525049
Synonyms: benzyl4- ({(2Z)- 3- (3- nitrophenyl)- 2- [(phenylcarbonyl)amino]prop- 2- enoyl}amino)butanoate
Smiles: O=C(OCc1ccccc1)CCCNC(=O)/C(=C/c1cccc(c1)[N+](=O)[O-])/NC(=O)c1ccccc1

STK525050
Synonyms: 1,3,5- tribenzyl- 1,3,5- triazinane
Smiles: c1ccc(cc1)CN1CN(CN(C1)Cc1ccccc1)Cc1ccccc1

STK525051
Synonyms: (2E,4E)- 1- (4- chlorophenyl)- 3,4- dihydroxy- 6- phenylhexa- 2,4- diene- 1,6- dione
Smiles: Clc1ccc(cc1)C(=O)/C=C(\C(=C/C(=O)c1ccccc1)\O)/O

STK525052
Synonyms: 1- (heptylsulfanyl)- 4,7,7- trimethyl- 6,9- dihydro- 7H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: CCCCCCCSc1nnc2n1c1sc3c(c1c(=O)n2C)CC(OC3)(C)C

STK525053
Synonyms: ethyl6- amino- 2- (chloromethyl)- 5- cyano- 4- [4- (methylsulfanyl)phenyl]- 4H- pyran- 3- carboxylate
Smiles: CCOC(=O)C1=C(CCl)OC(=C(C1c1ccc(cc1)SC)C#N)N

STK525054
Synonyms: 4- (4- methoxyphenyl)- 1- (prop- 2- en- 1- ylsulfanyl)- 4H- spiro[benzo[h][1,2,4]triazolo[4,3- a]quinazoline- 6,1'- cyclohexan]- 5(7H)- one
Smiles: C=CCSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2c1ccc(cc1)OC)CCCCC3

STK525055
Synonyms: 2- (ethylsulfanyl)- 6,6- dimethyl- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- amine
Smiles: CCSc1nc(N)c2c(n1)sc1c2CC(OC1)(C)C

STK525057
Synonyms: 2- chloro- N- [3- cyano- 1- (2- phenylethyl)- 1H- pyrrolo[2,3- b]quinoxalin- 2- yl]benzamide
Smiles: N#Cc1c(NC(=O)c2ccccc2Cl)n(c2c1nc1ccccc1n2)CCc1ccccc1

STK525058
Synonyms: diethyl[(1E)- 2- amino- N- {[(3- nitrophenyl)carbonyl]oxy}- 2- oxoethanimidoyl]phosphonate
Smiles: CCOP(=O)(/C(=N/OC(=O)c1cccc(c1)[N+](=O)[O-])/C(=O)N)OCC

STK525060
Synonyms: N,N- diethyl- N'- (5- methyl- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinolin- 8- yl)ethane- 1,2- diamine
Smiles: CCN(CCNc1ncnc2c1sc1c2c2CCCCc2c(n1)C)CC

STK525061
Synonyms: 3- chloro- 7- ethyl- 1- (morpholin- 4- yl)- 5,6,7,8- tetrahydro- 2,7- naphthyridine- 4- carbonitrile
Smiles: CCN1CCc2c(C1)c(nc(c2C#N)Cl)N1CCOCC1

STK525062
Synonyms: propan- 2- yl4- {[3- cyano- 6- (4- fluorophenyl)- 4- phenylpyridin- 2- yl]sulfanyl}- 3- oxobutanoate
Smiles: N#Cc1c(SCC(=O)CC(=O)OC(C)C)nc(cc1c1ccccc1)c1ccc(cc1)F

STK525063
Synonyms: ethyl2- {[(2Z)- 2- cyano- 3- (4- hydroxyphenyl)prop- 2- enoyl]amino}- 4- (4- fluorophenyl)thiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(scc1c1ccc(cc1)F)NC(=O)/C(=C\c1ccc(cc1)O)/C#N

STK525064
Synonyms: 9,9'- (piperazine- 1,4- diyldibut- 2- yne- 4,1- diyl)bis(9H- fluoren- 9- ol)
Smiles: OC1(CC#CCN2CCN(CC2)CC#CCC2(O)c3ccccc3c3c2cccc3)c2ccccc2c2c1cccc2

STK525065
Synonyms: 2- (chloromethyl)- 1- (4- methoxybenzyl)- 1H- imidazole
Smiles: COc1ccc(cc1)Cn1ccnc1CCl

STK525066
Synonyms: ethyl2- {[(2,6- dichlorophenyl)acetyl]amino}- 5,5- dimethyl- 4,7- dihydro- 5H- thieno[2,3- c]pyran- 3- carboxylate
Smiles: CCOC(=O)c1c(NC(=O)Cc2c(Cl)cccc2Cl)sc2c1CC(C)(C)OC2

STK525068
Synonyms: N- hexyl- 2,2- dimethyl- 5- (morpholin- 4- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- amine
Smiles: CCCCCCNc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1

STK525069
Synonyms: 3,5- dibromo- N- (2- chloro- 5- methoxyphenyl)- 2- hydroxybenzamide
Smiles: COc1ccc(c(c1)NC(=O)c1cc(Br)cc(c1O)Br)Cl

STK525070
Synonyms: N- 1,3- benzodioxol- 5- yl- N~2~,N~2~- diethylglycinamide
Smiles: CCN(CC(=O)Nc1ccc2c(c1)OCO2)CC

STK525071
Synonyms: (4aS,5R)- 7- amino- 2- (propan- 2- yl)- 5- (pyridin- 3- yl)- 3,4,4a,5- tetrahydroisoquinoline- 6,6,8(2H)- tricarbonitrile
Smiles: N#CC1=C(N)C([C@H]([C@H]2C1=CN(CC2)C(C)C)c1cccnc1)(C#N)C#N

STK525072
Synonyms: ethyl1- amino- 5- propyl- 6,7,8,9- tetrahydrothieno[2,3- c]isoquinoline- 2- carboxylate
Smiles: CCOC(=O)c1sc2c(c1N)c1CCCCc1c(n2)CCC

STK525073
Synonyms: N- [4- methoxy- 3- (2- methylpropoxy)phenyl]- 1- (3- phenylpropyl)piperidine- 3- carboxamide
Smiles: COc1ccc(cc1OCC(C)C)NC(=O)C1CCCN(C1)CCCc1ccccc1

STK525074
Synonyms: 4- benzyl- 8- tert- butyl- 1- methyl- 6,7,8,9- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: O=c1c2c3CCC(Cc3sc2n2c(n1Cc1ccccc1)nnc2C)C(C)(C)C

STK525075
Synonyms: methyl1- amino- 5- (piperidin- 1- yl)- 6,7,8,9- tetrahydrothieno[2,3- c]isoquinoline- 2- carboxylate
Smiles: COC(=O)c1sc2c(c1N)c1CCCCc1c(n2)N1CCCCC1

STK525078
Synonyms: 4,5- dichlorobenzene- 1,3- dicarbaldehyde
Smiles: O=Cc1cc(C=O)c(c(c1)Cl)Cl

STK525079
Synonyms: 6- (ethylsulfanyl)- 3,3- dimethyl- 8- (morpholin- 4- yl)- 3,4- dihydro- 1H- thiopyrano[3,4- c]pyridine- 5- carbonitrile
Smiles: CCSc1nc(N2CCOCC2)c2c(c1C#N)CC(SC2)(C)C

STK525080
Synonyms: diethyl5- (decanoylamino)- 3- methylthiophene- 2,4- dicarboxylate
Smiles: CCCCCCCCCC(=O)Nc1sc(c(c1C(=O)OCC)C)C(=O)OCC

STK525081
Synonyms: 6- (benzylamino)- 3,3- dimethyl- 8- phenyl- 3,4- dihydro- 1H- thiopyrano[3,4- c]pyridine- 5- carbonitrile
Smiles: N#Cc1c(NCc2ccccc2)nc(c2c1CC(C)(C)SC2)c1ccccc1

STK525084
Synonyms: (E)- N- hydroxy- 1- phenyl- 1- (1,3,5- triazatricyclo[3.3.1.1~3,7~]dec- 7- yl)methanimine
Smiles: O/N=C(/C12CN3CN(C2)CN(C1)C3)\c1ccccc1

STK525085
Synonyms: 4- [(Z)- 2- chloro- 1,2- diphenylethenyl]phenol
Smiles: Oc1ccc(cc1)/C(=C(/c1ccccc1)\Cl)/c1ccccc1

STK525086
Synonyms: 2,2'- bis[4- (thiomorpholin- 4- yl)phenyl]- 1H,1'H- 2,2'- biindene- 1,1',3,3'(2H,2'H)- tetrone
Smiles: O=C1c2ccccc2C(=O)C1(c1ccc(cc1)N1CCSCC1)C1(c2ccc(cc2)N2CCSCC2)C(=O)c2c(C1=O)cccc2

STK525087
Synonyms: (5E)- 3- [3- (2- chloro- 10H- phenothiazin- 10- yl)- 3- oxopropyl]- 5- (2- methoxybenzylidene)- 1,3- thiazolidine- 2,4- dione
Smiles: COc1ccccc1/C=C\1/SC(=O)N(C1=O)CCC(=O)N1c2ccccc2Sc2c1cc(Cl)cc2

STK525088
Synonyms: 5- ethyl- 2,2- dimethyl- 8- (morpholin- 4- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidine
Smiles: CCc1nc2sc3c(c2c2c1COC(C2)(C)C)ncnc3N1CCOCC1

STK525091
Synonyms: 5- ethyl- 2,2- dimethyl- 8- (piperidin- 1- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidine
Smiles: CCc1nc2sc3c(c2c2c1COC(C2)(C)C)ncnc3N1CCCCC1

STK525093
Synonyms: N- carbamoyl- 2- (4- iminoquinolin- 1(4H)- yl)acetamide
Smiles: O=C(Cn1ccc(=N)c2c1cccc2)NC(=O)N

STK525095
Synonyms: 3,5- di- tert- butyl- 4- hydroxybenzyl(2Z)- 4- (dimethylamino)- 4- oxobut- 2- enoate
Smiles: O=C(OCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)/C=C\C(=O)N(C)C

STK525096
Synonyms: N'- [(1E)- 2- [(5- ethyl- 4- hydroxy- 6- methylpyrimidin- 2- yl)sulfanyl]- 1- (3- nitrophenyl)ethylidene]- 4- hydroxybenzohydrazide
Smiles: CCc1c(C)nc(nc1O)SC/C(=N/NC(=O)c1ccc(cc1)O)/c1cccc(c1)[N+](=O)[O-]

STK525097
Synonyms: 8,10- dihydrazinyl- 2,2- dimethyl- 5- (morpholin- 4- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidine
Smiles: NNc1nc(NN)nc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1

STK525099
Synonyms: 6- [(2,1,3- benzothiadiazol- 4- ylsulfonyl)amino]hexanoicacid
Smiles: OC(=O)CCCCCNS(=O)(=O)c1cccc2c1nsn2

STK525100
Synonyms: 2,9,9- trimethyl- 4- phenyl- 4,7,9,10- tetrahydro- 3H,11H- thiopyrano[4'',3'':4',5']thieno[2',3':4,5]pyrimido[1,2- b][1,2,4]triazine- 3,11- dione
Smiles: Cc1nn2c(=O)c3c(nc2n(c1=O)c1ccccc1)sc1c3CC(C)(C)SC1

STK525101
Synonyms: 5- [(S)- [6- hydroxy- 1- (2- methylphenyl)- 2,4- dioxo- 1,2,3,4- tetrahydropyrimidin- 5- yl](pyridinium- 4- yl)methyl]- 1- (2- methylphenyl)- 2,6- dioxo- 1,2,3,6- tetrahydropyrimidin- 4- olate
Smiles: Cc1ccccc1n1c(=O)[nH]c(=O)c(c1O)[C@@H](c1c([O-])[nH]c(=O)n(c1=O)c1ccccc1C)c1cc[nH+]cc1

STK525103
Synonyms: ethyl6- amino- 4- (2- bromophenyl)- 5- cyano- 2- ({[3- cyano- 6- methyl- 4- (thiophen- 2- yl)- 5,6,7,8- tetrahydro- 1,6- naphthyridin- 2- yl]sulfanyl}methyl)- 4H- pyran- 3- carboxylate
Smiles: CCOC(=O)C1=C(CSc2nc3CCN(Cc3c(c2C#N)c2cccs2)C)OC(=C(C1c1ccccc1Br)C#N)N

STK525104
Synonyms: N- (1,3- benzothiazol- 2- yl)- 2- {[3- cyano- 4- (2- methoxyphenyl)- 6- (thiophen- 2- yl)pyridin- 2- yl]sulfanyl}acetamide
Smiles: N#Cc1c(SCC(=O)Nc2nc3c(s2)cccc3)nc(cc1c1ccccc1OC)c1cccs1

STK525106
Synonyms: 5- ethyl- N- hexyl- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinolin- 8- amine
Smiles: CCCCCCNc1ncnc2c1sc1c2c2CCCCc2c(n1)CC

STK525108
Synonyms: 8- (furan- 2- yl)- 3,3- dimethyl- 6- {4- [(4- methylphenyl)sulfonyl]piperazin- 1- yl}- 3,4- dihydro- 1H- thiopyrano[3,4- c]pyridine- 5- carbonitrile
Smiles: N#Cc1c(nc(c2c1CC(C)(C)SC2)c1ccco1)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C

STK525109
Synonyms: (5- benzyl- 5H- 1- thia- 3,4,5,8- tetraazaacenaphthylen- 2- yl)(4- nitrophenyl)methanone
Smiles: O=C(c1sc2c3c1nnn(c3ccn2)Cc1ccccc1)c1ccc(cc1)[N+](=O)[O-]

STK525113
Synonyms: propan- 2- yl6- amino- 5- cyano- 2- {[(3- cyano- 4,5,6- trimethylpyridin- 2- yl)sulfanyl]methyl}- 4- (thiophen- 2- yl)- 4H- pyran- 3- carboxylate
Smiles: N#CC1=C(N)OC(=C(C1c1cccs1)C(=O)OC(C)C)CSc1nc(C)c(c(c1C#N)C)C

STK525114
Synonyms: 3- [(3- hydroxypropyl)amino]- 7- methyl- 1- (pentylamino)- 5,6,7,8- tetrahydro- 2,7- naphthyridine- 4- carbonitrile
Smiles: CCCCCNc1nc(NCCCO)c(c2c1CN(C)CC2)C#N

STK525115
Synonyms: 2- amino- 1- (4- cyanophenyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carbonitrile
Smiles: N#Cc1c(N)n(c2c1nc1ccccc1n2)c1ccc(cc1)C#N

STK525116
Synonyms: 2,2,6,6- tetramethyl- 1- nitrosopiperidin- 4- one
Smiles: O=NN1C(C)(C)CC(=O)CC1(C)C

STK525117
Synonyms: 6- methyl- 2- {[(2E)- 3- phenylprop- 2- en- 1- yl]sulfanyl}- 4- (thiophen- 2- yl)- 5,6,7,8- tetrahydro- 1,6- naphthyridine- 3- carbonitrile
Smiles: N#Cc1c(SC/C=C/c2ccccc2)nc2c(c1c1cccs1)CN(CC2)C

STK525118
Synonyms: diethyl[(E)- ({[(4- chlorophenyl)carbamoyl]oxy}imino)(cyano)methyl]phosphonate
Smiles: CCOP(=O)(/C(=N/OC(=O)Nc1ccc(cc1)Cl)/C#N)OCC

STK525119
Synonyms: ethyl(2Z)- 2- {[3- (4- chlorophenyl)- 1- phenyl- 1H- pyrazol- 4- yl]methylidene}- 7- methyl- 5- (3- nitrophenyl)- 3- oxo- 2,3- dihydro- 5H- [1,3]thiazolo[3,2- a]pyrimidine- 6- carboxylate
Smiles: CCOC(=O)C1=C(C)N=c2n(C1c1cccc(c1)[N+](=O)[O-])c(=O)/c(=C/c1cn(nc1c1ccc(cc1)Cl)c1ccccc1)/s2

STK525122
Synonyms: N- [5- (3- methylbenzyl)- 1,3- thiazol- 2- yl]- 2- [3- (trifluoromethyl)phenoxy]acetamide
Smiles: O=C(Nc1ncc(s1)Cc1cccc(c1)C)COc1cccc(c1)C(F)(F)F

STK525123
Synonyms: 2- amino- 5- oxo- 4- [3- (trifluoromethyl)phenyl]- 4H,5H- pyrano[3,2- c]chromene- 3- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1cccc(c1)C(F)(F)F)c(=O)oc1c2cccc1

STK525124
Synonyms: ethyl5- (acetyloxy)- 6- bromo- 2- ({[6- (but- 3- en- 1- yl)- 3- cyanopyridin- 2- yl]sulfanyl}methyl)- 1- methyl- 1H- indole- 3- carboxylate
Smiles: C=CCCc1ccc(c(n1)SCc1n(C)c2c(c1C(=O)OCC)cc(c(c2)Br)OC(=O)C)C#N

STK525125
Synonyms: 5- (4- ethoxybenzyl)- 2- (methylsulfanyl)pyrimidine- 4,6- diol
Smiles: CCOc1ccc(cc1)Cc1c(O)nc(nc1O)SC

STK525126
Synonyms: N'- [(E)- (2- chlorophenyl)methylidene]- 6- oxo- 1,6- dihydropyridazine- 3- carbohydrazide
Smiles: O=C(c1ccc(=O)[nH]n1)N/N=C/c1ccccc1Cl

STK525127
Synonyms: 4- chloro- 2- {(E)- [(4- phenyl- 1- {[(1E)- 1- phenylethylidene]amino}- 1H- imidazol- 2- yl)imino]methyl}phenol
Smiles: Clc1ccc(c(c1)/C=N/c1nc(cn1/N=C(/c1ccccc1)\C)c1ccccc1)O

STK525128
Synonyms: (3- nitrophenyl)(2,3,5,6,8,9,11,12- octahydro- 1,4,7,10,13- benzopentaoxacyclopentadecin- 15- yl)methanone
Smiles: O=C(c1cccc(c1)[N+](=O)[O-])c1ccc2c(c1)OCCOCCOCCOCCO2

STK525129
Synonyms: 3- methyl- 1,4- bis(morpholin- 4- ylmethyl)- 3- (4- propoxyphenyl)pyrrolidine- 2,5- dione
Smiles: CCCOc1ccc(cc1)C1(C)C(CN2CCOCC2)C(=O)N(C1=O)CN1CCOCC1

STK525130
Synonyms: 3- [1- (dimethylamino)cyclopentyl]- 1,1- diphenylprop- 2- yn- 1- ol
Smiles: CN(C1(CCCC1)C#CC(c1ccccc1)(c1ccccc1)O)C

STK525131
Synonyms: [(1,1- dioxido- 3- oxo- 1,2- benzothiazol- 2(3H)- yl)methyl][4- methoxy- 6- (propan- 2- ylamino)- 1,3,5- triazin- 2- yl]cyanamide
Smiles: COc1nc(NC(C)C)nc(n1)N(CN1C(=O)c2c(S1(=O)=O)cccc2)C#N

STK525134
Synonyms: 8- tert- butyl- 4- (4- methylphenyl)- 6,7,8,9- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: Cc1ccc(cc1)n1c(=O)c2c3CCC(Cc3sc2n2c1nnc2)C(C)(C)C

STK525135
Synonyms: N- [4- oxo- 2- (phenylamino)- 6,7- dihydro- 4H- cyclopenta[4,5]thieno[2,3- d]pyrimidin- 3(5H)- yl]benzamide
Smiles: O=C(c1ccccc1)Nn1c(Nc2ccccc2)nc2c(c1=O)c1CCCc1s2

STK525139
Synonyms: 8- methyl- 1- [(2- methylprop- 2- en- 1- yl)sulfanyl]- 4- phenyl- 6,7,8,9- tetrahydropyrido[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: CC(=C)CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccccc1)CCN(C3)C

STK525141
Synonyms: 4- oxo- 3- phenoxy- 2- (trifluoromethyl)- 4H- chromen- 7- ylN- [(benzyloxy)carbonyl]- beta- alaninate
Smiles: O=C(OCc1ccccc1)NCCC(=O)Oc1ccc2c(c1)oc(c(c2=O)Oc1ccccc1)C(F)(F)F

STK525142
Synonyms: 1,10- bis(3,4,5- trichlorothiophen- 2- yl)decane- 1,10- dione
Smiles: O=C(c1sc(c(c1Cl)Cl)Cl)CCCCCCCCC(=O)c1sc(c(c1Cl)Cl)Cl

STK525143
Synonyms: 1- methyl- 4- (4- methylphenyl)- 7,8- dihydro- 6H- cyclopenta[4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: Cc1ccc(cc1)n1c(=O)c2c3CCCc3sc2n2c1nnc2C

STK525144
Synonyms: N'- {(E)- [2- (benzyloxy)- 5- bromophenyl]methylidene}- 2- [2- (pyridin- 2- yl)- 1H- benzimidazol- 1- yl]acetohydrazide
Smiles: Brc1ccc(c(c1)/C=N/NC(=O)Cn1c(nc2c1cccc2)c1ccccn1)OCc1ccccc1

STK525145
Synonyms: 8- (furan- 2- yl)- 6- [(2- hydroxyethyl)amino]- 3,3- dimethyl- 3,4- dihydro- 1H- thiopyrano[3,4- c]pyridine- 5- carbonitrile
Smiles: OCCNc1nc(c2ccco2)c2c(c1C#N)CC(SC2)(C)C

STK525146
Synonyms: 7- [(dimethylamino)methyl]- 2- methyl- 1- (4- methylphenyl)- 3- nitro- 1H- indol- 6- ol
Smiles: CN(Cc1c(O)ccc2c1n(c1ccc(cc1)C)c(c2[N+](=O)[O-])C)C

STK525147
Synonyms: N- (butan- 2- yl)- 5- butyl- 2,2- dimethyl- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- amine
Smiles: CCCCc1nc2sc3c(c2c2c1COC(C2)(C)C)ncnc3NC(CC)C

STK525148
Synonyms: ethyl(2Z)- 5- [4- (acetyloxy)phenyl]- 7- methyl- 3- oxo- 2- (2- oxo- 1- propyl- 1,2- dihydro- 3H- indol- 3- ylidene)- 2,3- dihydro- 5H- [1,3]thiazolo[3,2- a]pyrimidine- 6- carboxylate
Smiles: CCCN1c2ccccc2/C(=c\2/sc3=NC(=C(C(n3c2=O)c2ccc(cc2)OC(=O)C)C(=O)OCC)C)/C1=O

STK525149
Synonyms: 4- (2- methoxyphenyl)- 1- [(3- methylbutyl)sulfanyl]- 4H- spiro[benzo[h][1,2,4]triazolo[4,3- a]quinazoline- 6,1'- cyclohexan]- 5(7H)- one
Smiles: COc1ccccc1n1c2nnc(n2c2c(c1=O)C1(CCCCC1)Cc1c2cccc1)SCCC(C)C

STK525150
Synonyms: ethyl5- methyl- 3- {[(phenylsulfanyl)acetyl]amino}- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CSc1ccccc1)cc(cc2)C

STK525151
Synonyms: (2R,3R,10bS)- 2- (thiophen- 2- yl)- 3- (tricyclo[3.3.1.1~3,7~]dec- 1- ylcarbonyl)- 2,3- dihydropyrrolo[2,1- a]isoquinoline- 1,1(10bH)- dicarbonitrile
Smiles: N#CC1(C#N)[C@@H](c2cccs2)[C@@H](N2[C@H]1c1ccccc1C=C2)C(=O)C12CC3CC(C2)CC(C1)C3

STK525153
Synonyms: 6- [(E)- {2- [4- (2,4- dichlorophenoxy)butanoyl]hydrazinylidene}methyl]- 2,3- dimethoxybenzoicacid
Smiles: COc1c(OC)ccc(c1C(=O)O)/C=N/NC(=O)CCCOc1ccc(cc1Cl)Cl

STK525154
Synonyms: (3R,10bS)- 3- [(4- fluorophenyl)carbonyl]- 2- (thiophen- 2- yl)- 2,3- dihydropyrrolo[2,1- a]isoquinoline- 1,1(10bH)- dicarbonitrile
Smiles: N#CC1(C#N)C(c2cccs2)[C@@H](N2[C@H]1c1ccccc1C=C2)C(=O)c1ccc(cc1)F

STK525155
Synonyms: 3- methylbutyl6- [(5E)- 5- {3- [6- (3- methylbutoxy)- 6- oxohexyl]- 4- oxo- 2- thioxo- 1,3- thiazolidin- 5- ylidene}- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]hexanoate
Smiles: CC(CCOC(=O)CCCCCN1C(=S)S/C(=C\2/SC(=S)N(C2=O)CCCCCC(=O)OCCC(C)C)/C1=O)C

STK525158
Synonyms: 4,7,7- trimethyl- 1- [(2- methylprop- 2- en- 1- yl)sulfanyl]- 6,9- dihydro- 7H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: CC(=C)CSc1nnc2n1c1sc3c(c1c(=O)n2C)CC(OC3)(C)C

STK525160
Synonyms: (1S,2S,3aR)- 1- [(4- fluorophenyl)carbonyl]- 2- (4- methoxyphenyl)- 1,2- dihydropyrrolo[1,2- a]quinoline- 3,3(3aH)- dicarbonitrile
Smiles: COc1ccc(cc1)[C@@H]1[C@@H](C(=O)c2ccc(cc2)F)N2[C@@H](C1(C#N)C#N)C=Cc1c2cccc1

STK525162
Synonyms: 1- butyl- 3- [2- (morpholin- 4- yl)ethyl]urea
Smiles: CCCCNC(=O)NCCN1CCOCC1

STK525163
Synonyms: N- [(1E)- 3- [(4- methoxyphenyl)amino]- 1- (3- nitrophenyl)- 3- oxoprop- 1- en- 2- yl]benzamide
Smiles: COc1ccc(cc1)NC(=O)/C(=C\c1cccc(c1)[N+](=O)[O-])/NC(=O)c1ccccc1

STK525164
Synonyms: 6- amino- 1- phenyl- 4- (pyridin- 3- yl)- 3- (trifluoromethyl)- 1,4- dihydropyrano[2,3- c]pyrazole- 5- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1cccnc1)c(nn2c1ccccc1)C(F)(F)F

STK525166
Synonyms: (1,4- dioxidoquinoxaline- 2,3- diyl)dimethanediyldiacetate
Smiles: CC(=O)OCc1[n+]([O-])c2ccccc2[n+](c1COC(=O)C)[O-]

STK525167
Synonyms: ethyl2- {[(4- methoxyphenyl)carbamothioyl]amino}- 7,7- dimethyl- 7,8- dihydro- 5H- pyrano[4,3- b]pyridine- 3- carboxylate
Smiles: CCOC(=O)c1cc2COC(Cc2nc1NC(=S)Nc1ccc(cc1)OC)(C)C

STK525169
Synonyms: 2,2,4,5,5- pentamethyl- 2,5- dihydro- 1H- imidazol- 1- ol3- oxide
Smiles: CC1=[N+]([O-])C(N(C1(C)C)O)(C)C

STK525170
Synonyms: dipropan- 2- yl{(1Z)- 2- amino- N- [(methylcarbamoyl)oxy]- 2- oxoethanimidoyl}phosphonate
Smiles: CNC(=O)O/N=C(\P(=O)(OC(C)C)OC(C)C)/C(=O)N

STK525171
Synonyms: 8- ethyl- 3,3- dimethyl- 6- [4- (phenylcarbonyl)piperazin- 1- yl]- 3,4- dihydro- 1H- thiopyrano[3,4- c]pyridine- 5- carbonitrile
Smiles: N#Cc1c(nc(c2c1CC(C)(C)SC2)CC)N1CCN(CC1)C(=O)c1ccccc1

STK525172
Synonyms: [1- amino- 8,8- dimethyl- 5- (morpholin- 4- yl)- 8,9- dihydro- 6H- thieno[2,3- b]thiopyrano[4,3- d]pyridin- 2- yl](4- bromophenyl)methanone
Smiles: Brc1ccc(cc1)C(=O)c1sc2c(c1N)c1CC(C)(C)SCc1c(n2)N1CCOCC1

STK525173
Synonyms: 1,3- bis(2,4- dichlorobenzyl)- 5- fluoropyrimidine- 2,4(1H,3H)- dione
Smiles: Clc1ccc(c(c1)Cl)Cn1cc(F)c(=O)n(c1=O)Cc1ccc(cc1Cl)Cl

STK525174
Synonyms: (diphenylphosphoryl)(pyridin- 2- yl)methanol
Smiles: OC(P(=O)(c1ccccc1)c1ccccc1)c1ccccn1

STK525175
Synonyms: (1E)- 6- cyclohexyl- 1- hydrazinylidene- 2,3,4,9- tetrahydro- 1H- carbazole
Smiles: N/N=C/1\CCCc2c1[nH]c1c2cc(cc1)C1CCCCC1

STK525177
Synonyms: 1- (1,5- dimethyl- 3- oxo- 2- phenyl- 2,3- dihydro- 1H- pyrazol- 4- yl)- 3- hexylurea
Smiles: CCCCCCNC(=O)Nc1c(C)n(n(c1=O)c1ccccc1)C

STK525178
Synonyms: [(2E)- 4- oxo- 2- {(2Z)- [1- (4- propoxyphenyl)ethylidene]hydrazinylidene}- 1,3- thiazolidin- 5- yl]aceticacid
Smiles: CCCOc1ccc(cc1)/C(=N\N=C\1/NC(=O)C(S1)CC(=O)O)/C

STK525180
Synonyms: 6- (benzylamino)- 8- butyl- 3,3- dimethyl- 3,4- dihydro- 1H- thiopyrano[3,4- c]pyridine- 5- carbonitrile
Smiles: CCCCc1nc(NCc2ccccc2)c(c2c1CSC(C2)(C)C)C#N

STK525181
Synonyms: N'- [(1E)- 1- (4- chlorophenyl)ethylidene]- 2- methoxyacetohydrazide
Smiles: COCC(=O)N/N=C(/c1ccc(cc1)Cl)\C

STK525183
Synonyms: 1,1'- propane- 1,3- diyldicyclopropanol
Smiles: OC1(CCCC2(O)CC2)CC1

STK525184
Synonyms: 4- (3,4- dimethoxyphenyl)- 2- {[2- (4- methoxyphenyl)- 2- oxoethyl]sulfanyl}- 6- (thiophen- 2- yl)pyridine- 3- carbonitrile
Smiles: COc1ccc(cc1)C(=O)CSc1nc(cc(c1C#N)c1ccc(c(c1)OC)OC)c1cccs1

STK525185
Synonyms: 4- {[(2- methylpropoxy)carbonyl]amino}benzoicacid
Smiles: CC(COC(=O)Nc1ccc(cc1)C(=O)O)C

STK525186
Synonyms: N- benzyl- 2- {[(2Z)- 3- bromo- 6- oxo- 6,11- dihydro- 2H- pyrimido[2,1- b]quinazolin- 2- ylidene]amino}benzamide
Smiles: O=C(c1ccccc1/N=c/1\nc2[nH]c3ccccc3c(=O)n2cc1Br)NCc1ccccc1

STK525188
Synonyms: (1Z)- 1- (4- heptylphenyl)- N- hydroxyethanimine
Smiles: CCCCCCCc1ccc(cc1)/C(=N\O)/C

STK525191
Synonyms: 3,5- di- tert- butyl- 4- hydroxybenzylbenzoate
Smiles: O=C(c1ccccc1)OCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C

STK525192
Synonyms: 3,3- dimethyl- 8- (propan- 2- yl)- 6- [(tetrahydrofuran- 2- ylmethyl)amino]- 3,4- dihydro- 1H- pyrano[3,4- c]pyridine- 5- carbonitrile
Smiles: N#Cc1c(NCC2CCCO2)nc(c2c1CC(C)(C)OC2)C(C)C

STK525195
Synonyms: ethyl4- (4- bromophenyl)- 2- ({(2E)- 2- cyano- 3- [4- (dimethylamino)phenyl]prop- 2- enoyl}amino)thiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(scc1c1ccc(cc1)Br)NC(=O)/C(=C/c1ccc(cc1)N(C)C)/C#N

STK525196
Synonyms: 2- (2,2- dicyanoethenyl)- 1- methyl- 1H- indol- 3- yl4- methylbenzenesulfonate
Smiles: N#CC(=Cc1c(OS(=O)(=O)c2ccc(cc2)C)c2c(n1C)cccc2)C#N

STK525197
Synonyms: 6- ({(2E)- 3- (2- fluorophenyl)- 2- [(phenylcarbonyl)amino]prop- 2- enoyl}amino)hexanoicacid
Smiles: OC(=O)CCCCCNC(=O)/C(=C\c1ccccc1F)/NC(=O)c1ccccc1

STK525198
Synonyms: N,N'- dicyclohexyl- 1,4,10- trioxa- 7,13- diazacyclopentadecane- 7,13- dicarbothioamide
Smiles: S=C(N1CCOCCN(CCOCCOCC1)C(=S)NC1CCCCC1)NC1CCCCC1

STK525199
Synonyms: N- (dipropan- 2- ylphosphorothioyl)- N,N'- dimethylbenzenecarboximidamide
Smiles: C/N=C(/N(P(=S)(C(C)C)C(C)C)C)\c1ccccc1

STK525203
Synonyms: (1S,8aS)- 4- amino- 1- (2- fluorophenyl)- 6,7,8,8a- tetrahydronaphthalene- 2,2,3(1H)- tricarbonitrile
Smiles: N#CC1=C(N)C2=CCCC[C@H]2[C@@H](C1(C#N)C#N)c1ccccc1F

STK525204
Synonyms: 2',4,5',6- tetra- tert- butyl- 3'- hydroxy- 4'H- spiro[1,3- benzodioxole- 2,1'- cyclohexa[2,5]dien]- 4'- one
Smiles: O=C1C(=C(C(C)(C)C)C2(C=C1C(C)(C)C)Oc1c(O2)cc(cc1C(C)(C)C)C(C)(C)C)O

STK525205
Synonyms: 1- [1- {5- [(2Z)- 2- (4- chlorobenzylidene)hydrazinyl]- 5- oxopentyl}- 3- (3- chlorophenyl)- 5,5- dimethyl- 2- oxoimidazolidin- 4- yl]- 3- (3- chlorophenyl)- 1- hydroxyurea
Smiles: O=C(N/N=C\c1ccc(cc1)Cl)CCCCN1C(=O)N(C(C1(C)C)N(C(=O)Nc1cccc(c1)Cl)O)c1cccc(c1)Cl

STK525207
Synonyms: 4- (1,3- benzothiazol- 2- ylsulfanyl)- 5,6- dimethylthieno[2,3- d]pyrimidine
Smiles: Cc1c(C)sc2c1c(ncn2)Sc1nc2c(s1)cccc2

STK525208
Synonyms: dipropan- 2- yl(2- amino- 1- {[(2- chloro- 4- nitrophenyl)carbonyl]amino}- 2- oxoethyl)phosphonate
Smiles: CC(OP(=O)(C(C(=O)N)NC(=O)c1ccc(cc1Cl)[N+](=O)[O-])OC(C)C)C

STK525211
Synonyms: 2,6- di- tert- butyl- 4- [(propan- 2- yloxy)methyl]phenol
Smiles: CC(OCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)C

STK525212
Synonyms: (2S,3R,10bS)- 2- (2,4- difluorophenyl)- 3- (phenylcarbonyl)- 2,3- dihydropyrrolo[2,1- a]isoquinoline- 1,1(10bH)- dicarbonitrile
Smiles: N#CC1(C#N)[C@@H](c2ccc(cc2F)F)[C@@H](N2[C@H]1c1ccccc1C=C2)C(=O)c1ccccc1

STK525213
Synonyms: tert- butyl{[3- cyano- 6- methyl- 4- (thiophen- 2- yl)- 5,6,7,8- tetrahydro- 1,6- naphthyridin- 2- yl]sulfanyl}acetate
Smiles: N#Cc1c(SCC(=O)OC(C)(C)C)nc2c(c1c1cccs1)CN(CC2)C

STK525214
Synonyms: 1- (benzylsulfanyl)- 4- (4- methylphenyl)- 7,8,9,10- tetrahydro- 6H- cyclohepta[4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: Cc1ccc(cc1)n1c2nnc(n2c2c(c1=O)c1CCCCCc1s2)SCc1ccccc1

STK525217
Synonyms: 2- [(4- amino- 6,7,8,9- tetrahydro- 5H- cyclohepta[4,5]thieno[2,3- d]pyrimidin- 2- yl)sulfanyl]acetamide
Smiles: NC(=O)CSc1nc(N)c2c(n1)sc1c2CCCCC1

STK525218
Synonyms: [3- amino- 4- (4- methoxyphenyl)- 6- phenylthieno[2,3- b]pyridin- 2- yl](4- methoxyphenyl)methanone
Smiles: COc1ccc(cc1)C(=O)c1sc2c(c1N)c(cc(n2)c1ccccc1)c1ccc(cc1)OC

STK525219
Synonyms: 7- {[3- (2- methoxyphenyl)- 4,5- dihydro- 1,2- oxazol- 5- yl]methyl}- 1,3- dimethyl- 8- [(pyridin- 3- ylmethyl)amino]- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: COc1ccccc1C1=NOC(C1)Cn1c(NCc2cccnc2)nc2c1c(=O)n(C)c(=O)n2C

STK525221
Synonyms: 6- hexyl- 2- imino- 3- [4- (4- phenoxyphenyl)- 1,3- thiazol- 2- yl]- 2H- chromen- 7- ol
Smiles: CCCCCCc1cc2cc(c3scc(n3)c3ccc(cc3)Oc3ccccc3)c(=N)oc2cc1O

STK525222
Synonyms: 3- (tert- butylsulfonyl)thiophene- 2,4- dicarbaldehyde
Smiles: O=Cc1scc(c1S(=O)(=O)C(C)(C)C)C=O

STK525223
Synonyms: N,N'- (2,5- dichloro- 3,6- dioxocyclohexa- 1,4- diene- 1,4- diyl)dibenzamide
Smiles: ClC1=C(NC(=O)c2ccccc2)C(=O)C(=C(C1=O)NC(=O)c1ccccc1)Cl

STK525224
Synonyms: 2'- oxo- N- phenylspiro[1,3- dioxolane- 2,3'- indole]- 1'(2'H)- carboxamide
Smiles: O=C(N1c2ccccc2C2(C1=O)OCCO2)Nc1ccccc1

STK525225
Synonyms: 2,2- diphenylcyclopropanecarboxylicacid
Smiles: OC(=O)C1CC1(c1ccccc1)c1ccccc1

STK525226
Synonyms: 2- [(2- fluorobenzyl)sulfanyl]- 6- (4- fluorophenyl)- 4- phenylpyridine- 3- carbonitrile
Smiles: N#Cc1c(SCc2ccccc2F)nc(cc1c1ccccc1)c1ccc(cc1)F

STK525227
Synonyms: (2E)- 2- cyano- 3- {3- [(4- nitrophenyl)amino]- 1H- indol- 2- yl}prop- 2- enamide
Smiles: N#C/C(=C\c1[nH]c2c(c1Nc1ccc(cc1)[N+](=O)[O-])cccc2)/C(=O)N

STK525228
Synonyms: 5- {(6- hydroxy- 4- oxo- 1,3- diphenyl- 2- thioxo- 1,2,3,4- tetrahydropyrimidin- 5- yl)[4- methoxy- 3- (morpholin- 4- ium- 4- ylmethyl)phenyl]methyl}- 6- oxo- 1,3- diphenyl- 2- thioxo- 1,2,3,6- tetrahydropyrimidin- 4- olate
Smiles: COc1ccc(cc1C[NH+]1CCOCC1)C(c1c(O)n(c2ccccc2)c(=S)n(c1=O)c1ccccc1)c1c([O-])n(c2ccccc2)c(=S)n(c1=O)c1ccccc1

STK525229
Synonyms: (1S,2S,3aR)- 2- (3- bromophenyl)- 1- (phenylcarbonyl)- 1,2- dihydropyrrolo[1,2- a]quinoline- 3,3(3aH)- dicarbonitrile
Smiles: N#CC1(C#N)[C@H](c2cccc(c2)Br)[C@H](N2[C@@H]1C=Cc1c2cccc1)C(=O)c1ccccc1

STK525230
Synonyms: 6- tert- butyl- 2- [(3- methoxybenzyl)sulfanyl]- 4- (thiophen- 2- yl)- 5,6,7,8- tetrahydroquinoline- 3- carbonitrile
Smiles: COc1cccc(c1)CSc1nc2CCC(Cc2c(c1C#N)c1cccs1)C(C)(C)C

STK525231
Synonyms: N'- [(E)- (4- chlorophenyl)methylidene]- 1- methyl- 2,6- dioxo- 1,2,3,6- tetrahydropyrimidine- 4- carbohydrazide
Smiles: Clc1ccc(cc1)/C=N/NC(=O)c1cc(=O)n(c(=O)[nH]1)C

STK525234
Synonyms: 9- amino- 5- propyl- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinolin- 8(9H)- one
Smiles: CCCc1nc2sc3c(c2c2c1CCCC2)ncn(c3=O)N

STK525235
Synonyms: (5Z)- 5- (1H- indol- 3- ylmethylidene)- 1- [3- (trifluoromethyl)phenyl]pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: O=C1NC(=O)/C(=C/c2c[nH]c3c2cccc3)/C(=O)N1c1cccc(c1)C(F)(F)F

STK525236
Synonyms: (diphenylphosphoryl)(thiophen- 2- yl)methanol
Smiles: OC(P(=O)(c1ccccc1)c1ccccc1)c1cccs1

STK525237
Synonyms: ethyl6- amino- 4- (4- bromo- 2- fluorophenyl)- 5- cyano- 2- phenyl- 4H- pyran- 3- carboxylate
Smiles: CCOC(=O)C1=C(OC(=C(C1c1ccc(cc1F)Br)C#N)N)c1ccccc1

STK525239
Synonyms: N- (2- ethoxyphenyl)- 2- hydroxybenzamide
Smiles: CCOc1ccccc1NC(=O)c1ccccc1O

STK525240
Synonyms: 7- tert- butyl- 2- {[2- (4- chlorophenyl)- 2- oxoethyl]sulfanyl}- 3- (4- methylphenyl)- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: Cc1ccc(cc1)n1c(SCC(=O)c2ccc(cc2)Cl)nc2c(c1=O)c1CCC(Cc1s2)C(C)(C)C

STK525242
Synonyms: 2- {[2- (4- bromophenyl)- 2- oxoethyl]sulfanyl}- 6- ethyl- 5- methylpyridine- 3- carbonitrile
Smiles: N#Cc1cc(C)c(nc1SCC(=O)c1ccc(cc1)Br)CC

STK525244
Synonyms: 2- (4- diazo- 3- oxobutyl)- 1H- isoindole- 1,3(2H)- dione
Smiles: [N-]=[N+]=CC(=O)CCN1C(=O)c2c(C1=O)cccc2

STK525245
Synonyms: (5Z)- 1- (4- ethoxyphenyl)- 5- [(2- methyl- 1H- indol- 3- yl)methylidene]pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCOc1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2c(C)[nH]c3c2cccc3)/C1=O

STK525248
Synonyms: methyl3- {[3- (4- methoxyphenyl)- 4- oxo- 3,4,5,6,7,8- hexahydro[1]benzothieno[2,3- d]pyrimidin- 2- yl]sulfanyl}propanoate
Smiles: COC(=O)CCSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)OC)CCCC3

STK525249
Synonyms: 2,2- dimethyl- 5- (morpholin- 4- yl)- N- (tetrahydrofuran- 2- ylmethyl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d][1,2,3]triazin- 8- amine
Smiles: CC1(C)OCc2c(C1)c1c(nc2N2CCOCC2)sc2c1nnnc2NCC1CCCO1

STK525251
Synonyms: hexyl{[6,6- dimethyl- 3- (2- methylprop- 2- en- 1- yl)- 4- oxo- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl]sulfanyl}acetate
Smiles: CCCCCCOC(=O)CSc1nc2sc3c(c2c(=O)n1CC(=C)C)CC(OC3)(C)C

STK525252
Synonyms: 5- bromo- N- {3- chloro- 4- [(4- chlorophenyl)carbonyl]phenyl}- 2- {[(4- chlorophenyl)sulfonyl]amino}benzamide
Smiles: Clc1ccc(cc1)C(=O)c1ccc(cc1Cl)NC(=O)c1cc(Br)ccc1NS(=O)(=O)c1ccc(cc1)Cl

STK525253
Synonyms: 3,5- dibromo- N- {2- [(4- bromonaphthalen- 1- yl)oxy]- 5- chlorophenyl}- 2- hydroxybenzamide
Smiles: Clc1ccc(c(c1)NC(=O)c1cc(Br)cc(c1O)Br)Oc1ccc(c2c1cccc2)Br

STK525255
Synonyms: ethyl5- (acetyloxy)- 6- bromo- 2- {[(2- cyano- 5,5- dimethyl- 3- oxocyclohex- 1- en- 1- yl)sulfanyl]methyl}- 1- methyl- 1H- indole- 3- carboxylate
Smiles: CCOC(=O)c1c2cc(OC(=O)C)c(cc2n(c1CSC1=C(C#N)C(=O)CC(C1)(C)C)C)Br

STK525257
Synonyms: 6- amino- 1- (2- hydroxyethyl)- 5- nitrosopyrimidine- 2,4(1H,3H)- dione
Smiles: OCCn1c(=O)[nH]c(=O)c(c1N)N=O

STK525259
Synonyms: 6- (4- acetylpiperazin- 1- yl)- 8- benzyl- 3,3- dimethyl- 3,4- dihydro- 1H- pyrano[3,4- c]pyridine- 5- carbonitrile
Smiles: N#Cc1c(nc(c2c1CC(C)(C)OC2)Cc1ccccc1)N1CCN(CC1)C(=O)C

STK525261
Synonyms: bis(3- methylphenyl)(5- chloro- 2- methoxyphenyl)phosphoramidate
Smiles: COc1ccc(cc1NP(=O)(Oc1cccc(c1)C)Oc1cccc(c1)C)Cl

STK525262
Synonyms: 1- {2- [(4- ethoxybenzyl)sulfanyl]ethyl}guanidine
Smiles: CCOc1ccc(cc1)CSCCNC(=N)N

STK525263
Synonyms: N- {(1Z)- 1- (4- chlorophenyl)- 3- [(4- nitrophenyl)amino]- 3- oxoprop- 1- en- 2- yl}benzamide
Smiles: Clc1ccc(cc1)/C=C(/C(=O)Nc1ccc(cc1)[N+](=O)[O-])\NC(=O)c1ccccc1

STK525264
Synonyms: 2- hydroxy- 3,5- diiodo- N- {2- [5- methyl- 2- (propan- 2- yl)phenoxy]phenyl}benzamide
Smiles: Cc1ccc(c(c1)Oc1ccccc1NC(=O)c1cc(I)cc(c1O)I)C(C)C

STK525265
Synonyms: 3- (4- methoxyphenyl)- 8,8- dimethyl- 2- (prop- 2- en- 1- ylsulfanyl)- 3,6,8,9- tetrahydro- 4H- pyrano[3',4':5,6]pyrido[2,3- d]pyrimidin- 4- one
Smiles: C=CCSc1nc2nc3CC(C)(C)OCc3cc2c(=O)n1c1ccc(cc1)OC

STK525266
Synonyms: 1- cyclopropyl- 6- nitro- 4- oxo- 7- (piperazin- 1- yl)- 1,4- dihydroquinoline- 3- carboxylicacid
Smiles: [O-][N+](=O)c1cc2c(cc1N1CCNCC1)n(cc(c2=O)C(=O)O)C1CC1

STK525269
Synonyms: ethyl(2Z)- 5- [4- (acetyloxy)phenyl]- 2- [(1,3- diphenyl- 1H- pyrazol- 4- yl)methylidene]- 7- methyl- 3- oxo- 2,3- dihydro- 5H- [1,3]thiazolo[3,2- a]pyrimidine- 6- carboxylate
Smiles: CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC(=O)C)c(=O)/c(=C/c1cn(nc1c1ccccc1)c1ccccc1)/s2

STK525270
Synonyms: methyl3- {[5- cyano- 3,3- dimethyl- 8- (morpholin- 4- yl)- 3,4- dihydro- 1H- pyrano[3,4- c]pyridin- 6- yl]sulfanyl}propanoate
Smiles: COC(=O)CCSc1nc(N2CCOCC2)c2c(c1C#N)CC(OC2)(C)C

STK525271
Synonyms: 2,3- dimethoxy- 6- [(E)- {2- [(naphthalen- 2- yloxy)acetyl]hydrazinylidene}methyl]benzoicacid
Smiles: COc1ccc(c(c1OC)C(=O)O)/C=N/NC(=O)COc1ccc2c(c1)cccc2

STK525272
Synonyms: 2- phenyl- 1- (4- propoxyphenyl)- 3- (pyrrolidin- 1- yl)propan- 1- one
Smiles: CCCOc1ccc(cc1)C(=O)C(c1ccccc1)CN1CCCC1

STK525273
Synonyms: ethyl{[7- methyl- 3- (4- methylphenyl)- 4- oxo- 3,4,5,6,7,8- hexahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl]sulfanyl}acetate
Smiles: CCOC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)CCN(C3)C

STK525275
Synonyms: [3- amino- 6- phenyl- 4- (trifluoromethyl)thieno[2,3- b]pyridin- 2- yl](4- methoxyphenyl)methanone
Smiles: COc1ccc(cc1)C(=O)c1sc2c(c1N)c(cc(n2)c1ccccc1)C(F)(F)F

STK525276
Synonyms: 4- benzyl- 1- (benzylsulfanyl)- 7,8- dihydro- 6H- cyclopenta[4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: O=c1c2c3CCCc3sc2n2c(n1Cc1ccccc1)nnc2SCc1ccccc1

STK525277
Synonyms: 4- (2- methoxyphenyl)- 1- [(2- phenylethyl)sulfanyl]- 4H- spiro[benzo[h][1,2,4]triazolo[4,3- a]quinazoline- 6,1'- cyclohexan]- 5(7H)- one
Smiles: COc1ccccc1n1c2nnc(n2c2c(c1=O)C1(CCCCC1)Cc1c2cccc1)SCCc1ccccc1

STK525280
Synonyms: N- (1- butyl- 3- cyano- 1H- pyrrolo[2,3- b]quinoxalin- 2- yl)propanamide
Smiles: CCCCn1c2nc3ccccc3nc2c(c1NC(=O)CC)C#N

STK525281
Synonyms: (5Z)- 5- (4- chlorobenzylidene)- 3- (4- methylphenyl)- 2- phenyl- 3,5- dihydro- 4H- imidazol- 4- one
Smiles: Cc1ccc(cc1)N1C(=O)/C(=C/c2ccc(cc2)Cl)/N=C1c1ccccc1

STK525283
Synonyms: 6- chloro- 3,3- dimethyl- 8- phenyl- 3,4- dihydro- 1H- thiopyrano[3,4- c]pyridine- 5- carbonitrile
Smiles: N#Cc1c(Cl)nc(c2c1CC(C)(C)SC2)c1ccccc1

STK525291
Synonyms: (5E)- 5- (4- chlorobenzylidene)- 2,3- diphenyl- 3,5- dihydro- 4H- imidazol- 4- one
Smiles: Clc1ccc(cc1)/C=C\1/N=C(N(C1=O)c1ccccc1)c1ccccc1

STK525292
Synonyms: 2- (benzylsulfanyl)- 7- methyl- 3- (4- methylphenyl)- 5,6,7,8- tetrahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: CN1CCc2c(C1)sc1c2c(=O)n(c(n1)SCc1ccccc1)c1ccc(cc1)C

STK525294
Synonyms: 2- amino- 4- (4- hydroxy- 3- methoxy- 5- nitrophenyl)- 7,7- dimethyl- 5- oxo- 5,6,7,8- tetrahydro- 4H- chromene- 3- carbonitrile
Smiles: N#CC1=C(N)OC2=C(C1c1cc(OC)c(c(c1)[N+](=O)[O-])O)C(=O)CC(C2)(C)C

STK525295
Synonyms: (8S,8aS)- 6- amino- 2- benzyl- 8- (3- methylthiophen- 2- yl)- 2,3,8,8a- tetrahydroisoquinoline- 5,7,7(1H)- tricarbonitrile
Smiles: N#CC1=C(N)C([C@H]([C@H]2C1=CCN(C2)Cc1ccccc1)c1sccc1C)(C#N)C#N

STK525296
Synonyms: 1- (butylamino)- 3- chloro- 7- methyl- 5,6,7,8- tetrahydro- 2,7- naphthyridine- 4- carbonitrile
Smiles: CCCCNc1nc(Cl)c(c2c1CN(C)CC2)C#N

STK525300
Synonyms: 2,7- bis{[bis(2- chloroethyl)amino]methyl}- 1,8- bis(4- propoxyphenyl)octane- 1,8- dione
Smiles: ClCCN(CC(C(=O)c1ccc(cc1)OCCC)CCCCC(C(=O)c1ccc(cc1)OCCC)CN(CCCl)CCCl)CCCl

STK525301
Synonyms: ethyl5- methyl- 3- (nonafluorobutyl)- 1H- pyrazole- 4- carboxylate
Smiles: CCOC(=O)c1c(n[nH]c1C)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F

STK525302
Synonyms: 6- bromo- 3- [(2E)- 3- chloroprop- 2- en- 1- yl]- 2- methylquinoline- 4- thiol
Smiles: Cl/C=C/Cc1c(C)nc2c(c1S)cc(cc2)Br

STK525303
Synonyms: 4- (4- methoxyphenyl)- 1- [(3- methylbutyl)sulfanyl]- 7,8,9,10- tetrahydro- 6H- cyclohepta[4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: COc1ccc(cc1)n1c(=O)c2c3CCCCCc3sc2n2c1nnc2SCCC(C)C

STK525304
Synonyms: 6- (dipropylamino)- 3,3- dimethyl- 8- (propan- 2- yl)- 3,4- dihydro- 1H- pyrano[3,4- c]pyridine- 5- carbonitrile
Smiles: CCCN(c1nc(C(C)C)c2c(c1C#N)CC(OC2)(C)C)CCC

STK525306
Synonyms: 4- [5- (4- methoxyphenyl)- 3- (4- methylphenyl)- 4,5- dihydro- 1H- pyrazol- 1- yl]- 4- oxobutanoicacid
Smiles: COc1ccc(cc1)C1CC(=NN1C(=O)CCC(=O)O)c1ccc(cc1)C

STK525307
Synonyms: 5- (dimethylsulfonio)- 2,4,6- trioxo- 1- [3- (trifluoromethyl)phenyl]hexahydropyrimidin- 5- ide
Smiles: O=C1NC(=O)[C-](C(=O)N1c1cccc(c1)C(F)(F)F)[S+](C)C

STK525309
Synonyms: 6- amino- 2- methyl- 8- (pyridin- 4- yl)- 2,3,8,8a- tetrahydroisoquinoline- 5,7,7(1H)- tricarbonitrile
Smiles: N#CC1=C(N)C(C(C2C1=CCN(C2)C)c1ccncc1)(C#N)C#N

STK525310
Synonyms: 2- [(4- amino- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 2- yl)sulfanyl]- 1- phenylethanone
Smiles: O=C(c1ccccc1)CSc1nc(N)c2c(n1)sc1c2CCCC1

STK525311
Synonyms: 1- {2- [(4- chlorophenyl)amino]- 4H- [1,3]thiazolo[5,4- b]indol- 4- yl}ethanone
Smiles: Clc1ccc(cc1)Nc1nc2c(s1)n(c1c2cccc1)C(=O)C

STK525312
Synonyms: ethyl[(4- methoxy- 2,3- dioxo- 3,4- dihydroquinoxalin- 1(2H)- yl)oxy]acetate
Smiles: CCOC(=O)COn1c(=O)c(=O)n(c2c1cccc2)OC

STK525313
Synonyms: ethyl{[4- (2- methoxyphenyl)- 5- oxo- 5,7- dihydro- 4H- spiro[benzo[h][1,2,4]triazolo[4,3- a]quinazoline- 6,1'- cyclohexan]- 1- yl]sulfanyl}acetate
Smiles: CCOC(=O)CSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2c1ccccc1OC)CCCCC3

STK525314
Synonyms: tert- butyl(8aS)- 6- amino- 5,7,7- tricyano- 8- [4- (methylsulfanyl)phenyl]- 3,7,8,8a- tetrahydroisoquinoline- 2(1H)- carboxylate
Smiles: N#CC1=C(N)C(C([C@H]2C1=CCN(C2)C(=O)OC(C)(C)C)c1ccc(cc1)SC)(C#N)C#N

STK525315
Synonyms: 3- [2- (methylamino)ethyl]- 1H- 1,2,4- triazol- 5- amine
Smiles: CNCCc1n[nH]c(n1)N

STK525318
Synonyms: 4- (4- methoxyphenyl)- 7,8,9,10- tetrahydro- 6H- cyclohepta[4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: COc1ccc(cc1)n1c(=O)c2c3CCCCCc3sc2n2c1nnc2

STK525320
Synonyms: (5Z)- 1- cyclohexyl- 5- {3- [(1,3- dioxo- 1,3- dihydro- 2H- isoindol- 2- yl)methyl]- 4- methoxybenzylidene}pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: COc1ccc(cc1CN1C(=O)c2c(C1=O)cccc2)/C=C\1/C(=O)NC(=O)N(C1=O)C1CCCCC1

STK525323
Synonyms: 1,1'- (2,2- dichloroethane- 1,1- diyl)bis(3- bromo- 4- methoxybenzene)
Smiles: COc1ccc(cc1Br)C(c1ccc(c(c1)Br)OC)C(Cl)Cl

STK525324
Synonyms: 2- ({6- (4- bromophenyl)- 3- cyano- 4- [3- (trifluoromethyl)phenyl]pyridin- 2- yl}sulfanyl)- N- phenylacetamide
Smiles: N#Cc1c(SCC(=O)Nc2ccccc2)nc(cc1c1cccc(c1)C(F)(F)F)c1ccc(cc1)Br

STK525325
Synonyms: 4- (2- methylphenyl)- 1- (pentylsulfanyl)- 4H- spiro[benzo[h][1,2,4]triazolo[4,3- a]quinazoline- 6,1'- cyclohexan]- 5(7H)- one
Smiles: CCCCCSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2c1ccccc1C)CCCCC3

STK525327
Synonyms: 3- {[(E)- (4- fluorophenyl)methylidene]amino}- 2- propyl- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: CCCc1nc2sc3c(c2c(=O)n1/N=C/c1ccc(cc1)F)CCCC3

STK525329
Synonyms: 7- benzyl- 2- hydrazinyl- 3- (phenylcarbonyl)- 5,6,7,8- tetrahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: NNc1nc2sc3c(c2c(=O)n1C(=O)c1ccccc1)CCN(C3)Cc1ccccc1

STK525330
Synonyms: ethyl2- (4- amino- 3- methylphenyl)- 3,3,3- trifluoro- 2- hydroxypropanoate
Smiles: CCOC(=O)C(C(F)(F)F)(c1ccc(c(c1)C)N)O

STK525332
Synonyms: N~4~- (benzo[g]quinolin- 4- yl)- N~1~,N~1~- diethylpentane- 1,4- diamine
Smiles: CCN(CCCC(Nc1ccnc2c1cc1ccccc1c2)C)CC

STK525333
Synonyms: 8- benzyl- 6- [(2- hydroxyethyl)amino]- 3,3- dimethyl- 3,4- dihydro- 1H- pyrano[3,4- c]pyridine- 5- carbonitrile
Smiles: OCCNc1nc(Cc2ccccc2)c2c(c1C#N)CC(OC2)(C)C

STK525334
Synonyms: ethyl[(3- benzyl- 6,6- dimethyl- 4- oxo- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl)sulfanyl]acetate
Smiles: CCOC(=O)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC(OC3)(C)C

STK525335
Synonyms: 5- methyl- 8- (pyrrolidin- 1- yl)- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinoline
Smiles: Cc1nc2sc3c(c2c2c1CCCC2)ncnc3N1CCCC1

STK525336
Synonyms: (2R,3R,10bS)- 3- [(4- fluorophenyl)carbonyl]- 2- [4- (prop- 2- en- 1- yloxy)phenyl]- 2,3- dihydropyrrolo[2,1- a]isoquinoline- 1,1(10bH)- dicarbonitrile
Smiles: C=CCOc1ccc(cc1)[C@H]1[C@H](C(=O)c2ccc(cc2)F)N2[C@H](C1(C#N)C#N)c1ccccc1C=C2

STK525337
Synonyms: 1- (4,4- dimethyl- 3- oxopentyl)- 1H- indole- 2,3- dione
Smiles: O=C(C(C)(C)C)CCN1c2ccccc2C(=O)C1=O

STK525340
Synonyms: 2,2- dimethyl- 5- (morpholin- 4- yl)- 8- (2- phenylhydrazinyl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d][1,2,3]triazine
Smiles: CC1(C)OCc2c(C1)c1c(nc2N2CCOCC2)sc2c1nnnc2NNc1ccccc1

STK525343
Synonyms: 5- ethyl- 8- (methylsulfanyl)- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinoline
Smiles: CCc1nc2sc3c(c2c2c1CCCC2)ncnc3SC

STK525345
Synonyms: ethyl(2Z)- 2- [(1,3- diphenyl- 1H- pyrazol- 4- yl)methylidene]- 5- (4- methoxyphenyl)- 7- methyl- 3- oxo- 2,3- dihydro- 5H- [1,3]thiazolo[3,2- a]pyrimidine- 6- carboxylate
Smiles: CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)/c(=C/c1cn(nc1c1ccccc1)c1ccccc1)/s2

STK525346
Synonyms: N- (3,4- dimethoxybenzyl)prolinamide
Smiles: COc1cc(CNC(=O)C2CCCN2)ccc1OC

STK525347
Synonyms: 2- amino- 4- (3- methoxyphenyl)- 6- methyl- 4a,5,6,7- tetrahydronaphthalene- 1,3,3(4H)- tricarbonitrile
Smiles: N#CC1=C(N)C(C(C2C1=CCC(C2)C)c1cccc(c1)OC)(C#N)C#N

STK525348
Synonyms: ethyl4- (4- chlorophenyl)- 2- {[(2E)- 2- cyano- 3- (5- phenylfuran- 2- yl)prop- 2- enoyl]amino}thiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(scc1c1ccc(cc1)Cl)NC(=O)/C(=C/c1ccc(o1)c1ccccc1)/C#N

STK525349
Synonyms: (2E)- 1- (4- bromophenyl)- 3- [4- (1,5- diphenyl- 4,5- dihydro- 1H- pyrazol- 3- yl)phenyl]prop- 2- en- 1- one
Smiles: Brc1ccc(cc1)C(=O)/C=C/c1ccc(cc1)C1=NN(C(C1)c1ccccc1)c1ccccc1

STK525350
Synonyms: ethyl{2,5- dioxo- 3- [4- (propan- 2- yloxy)phenyl]pyrrolidin- 1- yl}acetate
Smiles: CCOC(=O)CN1C(=O)CC(C1=O)c1ccc(cc1)OC(C)C

STK525352
Synonyms: 5- [(1- benzyl- 1H- indol- 3- yl)methylidene]- 1,3- dimethyl- 2- thioxodihydropyrimidine- 4,6(1H,5H)- dione
Smiles: S=C1N(C)C(=O)C(=Cc2cn(c3c2cccc3)Cc2ccccc2)C(=O)N1C

STK525354
Synonyms: [3- amino- 6- (4- fluorophenyl)- 4- phenylthieno[2,3- b]pyridin- 2- yl](4- methylphenyl)methanone
Smiles: Cc1ccc(cc1)C(=O)c1sc2c(c1N)c(cc(n2)c1ccc(cc1)F)c1ccccc1

STK525355
Synonyms: [1- amino- 8,8- dimethyl- 5- (morpholin- 4- yl)- 8,9- dihydro- 6H- pyrano[4,3- d]thieno[2,3- b]pyridin- 2- yl](4- bromophenyl)methanone
Smiles: Brc1ccc(cc1)C(=O)c1sc2c(c1N)c1CC(C)(C)OCc1c(n2)N1CCOCC1

STK525356
Synonyms: (2E)- N- (4- butoxy- 3- chlorobenzyl)- 2- (4- nitrobenzylidene)hydrazinecarbothioamide
Smiles: CCCCOc1ccc(cc1Cl)CNC(=S)N/N=C/c1ccc(cc1)[N+](=O)[O-]

STK525358
Synonyms: (1E)- [1,2- bis(3,4- dimethoxyphenyl)ethylidene]hydrazine
Smiles: N/N=C(/c1ccc(c(c1)OC)OC)\Cc1ccc(c(c1)OC)OC

STK525359
Synonyms: 5- [3- methyl- 4- (propan- 2- yloxy)benzyl]- 2- sulfanylpyrimidine- 4,6- diol
Smiles: CC(Oc1ccc(cc1C)Cc1c(O)nc(nc1O)S)C

STK525360
Synonyms: 1- (2,3,5,6,8,9- hexahydro- 1,4,7,10- benzotetraoxacyclododecin- 12- yl)- 2,2- diphenylethanone
Smiles: O=C(C(c1ccccc1)c1ccccc1)c1ccc2c(c1)OCCOCCOCCO2

STK525361
Synonyms: 8- chloro- 5- ethyl- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinoline
Smiles: CCc1nc2sc3c(c2c2c1CCCC2)ncnc3Cl

STK525362
Synonyms: N- (3- chlorotricyclo[3.3.1.1~3,7~]dec- 1- yl)morpholine- 4- carboxamide
Smiles: O=C(N1CCOCC1)NC12CC3CC(C1)CC(C2)(C3)Cl

STK525363
Synonyms: 3- {2- [(E)- 2- (4- nitrophenyl)ethenyl]- 4- oxoquinazolin- 3(4H)- yl}benzoicacid
Smiles: OC(=O)c1cccc(c1)n1c(/C=C/c2ccc(cc2)[N+](=O)[O-])nc2c(c1=O)cccc2

STK525365
Synonyms: 2- amino- 4- (hexadecylsulfanyl)- 6- (methylsulfanyl)pyrimidine- 5- carbonitrile
Smiles: CCCCCCCCCCCCCCCCSc1nc(N)nc(c1C#N)SC

STK525366
Synonyms: N- {4- [(5- {(Z)- [1- (4- ethylphenyl)- 2,4,6- trioxotetrahydropyrimidin- 5(2H)- ylidene]methyl}- 2- methoxybenzyl)oxy]phenyl}acetamide
Smiles: CCc1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2ccc(c(c2)COc2ccc(cc2)NC(=O)C)OC)/C1=O

STK525367
Synonyms: N- (2- {5- [4- (bromomethyl)phenyl]- 1,3,4- oxadiazol- 2- yl}phenyl)- 4- methylbenzenesulfonamide
Smiles: BrCc1ccc(cc1)c1nnc(o1)c1ccccc1NS(=O)(=O)c1ccc(cc1)C

STK525368
Synonyms: methyl3- methylquinoxaline- 2- carboxylate4- oxide
Smiles: COC(=O)c1nc2ccccc2[n+](c1C)[O-]

STK525369
Synonyms: 1- [4- (2- methylpropoxy)phenyl]- 2- phenyl- 3- (pyrrolidin- 1- yl)propan- 1- ol
Smiles: OC(C(c1ccccc1)CN1CCCC1)c1ccc(cc1)OCC(C)C

STK525370
Synonyms: 1- [(2Z)- 3- chlorobut- 2- en- 1- yl]- 4- methylquinolin- 2(1H)- one
Smiles: C/C(=C/Cn1c(=O)cc(c2c1cccc2)C)/Cl

STK525372
Synonyms: 2- methylbenzo[g]quinazolin- 4- ol
Smiles: Cc1nc2cc3ccccc3cc2c(n1)O

STK525375
Synonyms: 4- benzyl- 1- (methylsulfanyl)- 4H- spiro[benzo[h][1,2,4]triazolo[4,3- a]quinazoline- 6,1'- cyclohexan]- 5(7H)- one
Smiles: CSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2Cc1ccccc1)CCCCC3

STK525376
Synonyms: ethyl4- {[3- cyano- 4- (3,4- dimethoxyphenyl)- 6- (thiophen- 2- yl)pyridin- 2- yl]sulfanyl}- 3- oxobutanoate
Smiles: CCOC(=O)CC(=O)CSc1nc(cc(c1C#N)c1ccc(c(c1)OC)OC)c1cccs1

STK525378
Synonyms: (2Z)- 2- (4- fluorobenzylidene)- 6,9- dimethyl- 2,3,4,9- tetrahydro- 1H- carbazol- 1- one
Smiles: Fc1ccc(cc1)/C=C\1/CCc2c(C1=O)n(C)c1c2cc(cc1)C

STK525379
Synonyms: (2E)- 1- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 3- [(4- methylphenyl)amino]but- 2- en- 1- one
Smiles: C/C(=C\C(=O)c1ccc2c(c1)OCCO2)/Nc1ccc(cc1)C

STK525380
Synonyms: (5Z)- 5- (1,3- benzodioxol- 5- ylmethylidene)- 3- (4- methylphenyl)- 2- phenyl- 3,5- dihydro- 4H- imidazol- 4- one
Smiles: Cc1ccc(cc1)N1C(=O)/C(=C/c2ccc3c(c2)OCO3)/N=C1c1ccccc1

STK525381
Synonyms: (5Z)- 5- benzylidene- 3- (4- nitrophenyl)- 2- phenyl- 3,5- dihydro- 4H- imidazol- 4- one
Smiles: O=C1/C(=C/c2ccccc2)/N=C(N1c1ccc(cc1)[N+](=O)[O-])c1ccccc1

STK525383
Synonyms: ethyl2- [(2- chlorobutanoyl)amino]- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(NC(=O)C(CC)Cl)sc2c1CCCC2

STK525387
Synonyms: 2- (benzylsulfanyl)- 6- methyl- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: CC1CCc2c(C1)c1c(=O)[nH]c(nc1s2)SCc1ccccc1

STK525388
Synonyms: 3- [(2- aminoethyl)amino]- 1- (benzylamino)- 7- ethyl- 5,6,7,8- tetrahydro- 2,7- naphthyridine- 4- carbonitrile
Smiles: NCCNc1nc(NCc2ccccc2)c2c(c1C#N)CCN(C2)CC

STK525389
Synonyms: 4- (1,3- benzothiazol- 2- yl)butanamide
Smiles: NC(=O)CCCc1nc2c(s1)cccc2

STK525390
Synonyms: 5- methyl- 7- phenyl- 4,7- dihydro[1,2,4]triazolo[1,5- a]pyrimidin- 2- amine
Smiles: CC1=CC(c2ccccc2)n2c(N1)nc(n2)N

STK525392
Synonyms: 2,6- di- tert- butyl- 4- (4- hydroxybenzyl)phenol
Smiles: Oc1ccc(cc1)Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C

STK525393
Synonyms: 12- {[4- (ethoxycarbonyl)phenyl]carbamoyl}- 9,10- dihydro- 9,10- ethanoanthracene- 11- carboxylicacid
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)C1C(C(=O)O)C2c3c(C1c1c2cccc1)cccc3

STK525395
Synonyms: 4- (2- methoxyphenyl)- 1- [(2- methylprop- 2- en- 1- yl)sulfanyl]- 4H- spiro[benzo[h][1,2,4]triazolo[4,3- a]quinazoline- 6,1'- cyclohexan]- 5(7H)- one
Smiles: COc1ccccc1n1c2nnc(n2c2c(c1=O)C1(CCCCC1)Cc1c2cccc1)SCC(=C)C

STK525397
Synonyms: 5- ethyl- 2,2- dimethyl- N- [2- (morpholin- 4- yl)ethyl]- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- amine
Smiles: CCc1nc2sc3c(c2c2c1COC(C2)(C)C)ncnc3NCCN1CCOCC1

STK525398
Synonyms: 1,6- bis(4- ethoxyphenyl)hexane- 1,6- dione
Smiles: CCOc1ccc(cc1)C(=O)CCCCC(=O)c1ccc(cc1)OCC

STK525399
Synonyms: ethyl6- bromo- 2- [(diethylamino)methyl]- 5- methoxy- 1- methyl- 1H- indole- 3- carboxylate
Smiles: CCOC(=O)c1c2cc(OC)c(cc2n(c1CN(CC)CC)C)Br

STK525400
Synonyms: 4- amino- 3,6- di- tert- butylcyclohexa- 3,5- diene- 1,2- dione
Smiles: O=C1C(=O)C(=C(C=C1C(C)(C)C)N)C(C)(C)C

STK525403
Synonyms: 4- (4- methoxyphenyl)- 1- (propylsulfanyl)- 7,8,9,10- tetrahydro- 6H- cyclohepta[4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: CCCSc1nnc2n1c1sc3c(c1c(=O)n2c1ccc(cc1)OC)CCCCC3

STK525404
Synonyms: 4- (4- methoxyphenyl)- 1- (pentylsulfanyl)- 4H- spiro[benzo[h][1,2,4]triazolo[4,3- a]quinazoline- 6,1'- cyclohexan]- 5(7H)- one
Smiles: CCCCCSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2c1ccc(cc1)OC)CCCCC3

STK525405
Synonyms: ethyl(1S,2S,3R,8aS)- 3,6- dicarbamoyl- 2- (2- chlorophenyl)- 1- cyano- 1,2,3,8a- tetrahydroindolizine- 1- carboxylate
Smiles: CCOC(=O)[C@]1(C#N)[C@@H]2C=CC(=CN2[C@H]([C@@H]1c1ccccc1Cl)C(=O)N)C(=O)N

STK525406
Synonyms: 8- ethyl- 3,3- dimethyl- 6- (piperazin- 1- yl)- 3,4- dihydro- 1H- thiopyrano[3,4- c]pyridine- 5- carbonitrile
Smiles: N#Cc1c(nc(c2c1CC(C)(C)SC2)CC)N1CCNCC1

STK525407
Synonyms: 6- phenyl- 2- [(thiophen- 2- ylmethyl)sulfanyl]- 4- (trifluoromethyl)pyridine- 3- carbonitrile
Smiles: N#Cc1c(SCc2cccs2)nc(cc1C(F)(F)F)c1ccccc1

STK525408
Synonyms: methyl6- amino- 5- cyano- 2- (methoxymethyl)- 4- (2- methylphenyl)- 4H- pyran- 3- carboxylate
Smiles: COCC1=C(C(=O)OC)C(C(=C(O1)N)C#N)c1ccccc1C

STK525409
Synonyms: 1,4- bis(2- phenylethyl)piperazine- 2,6- dione
Smiles: O=C1CN(CCc2ccccc2)CC(=O)N1CCc1ccccc1

STK525410
Synonyms: 2,4- di- tert- butyl- 6- [(dimethylamino)methyl]phenol
Smiles: CN(Cc1cc(cc(c1O)C(C)(C)C)C(C)(C)C)C

STK525411
Synonyms: ethyl2- {[(2E)- 2- cyano- 3- (5- phenylfuran- 2- yl)prop- 2- enoyl]amino}- 4- (4- methylphenyl)thiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(scc1c1ccc(cc1)C)NC(=O)/C(=C/c1ccc(o1)c1ccccc1)/C#N

STK525412
Synonyms: ethyl[(8- ethyl- 8- methyl- 4- oxo- 3- phenyl- 3,6,8,9- tetrahydro- 4H- pyrano[3',4':5,6]pyrido[2,3- d]pyrimidin- 2- yl)sulfanyl]acetate
Smiles: CCOC(=O)CSc1nc2nc3CC(C)(CC)OCc3cc2c(=O)n1c1ccccc1

STK525413
Synonyms: methyl(4S)- 6- amino- 5- cyano- 2- methyl- 4- (2- nitrophenyl)- 4H- pyran- 3- carboxylate
Smiles: COC(=O)C1=C(C)OC(=C([C@@H]1c1ccccc1[N+](=O)[O-])C#N)N

STK525414
Synonyms: ethyl(2E)- 2- cyano- 3- [6,6- dimethyl- 4- (morpholin- 4- yl)- 5,6- dihydro- 2H- pyran- 3- yl]prop- 2- enoate
Smiles: CCOC(=O)/C(=C/C1=C(CC(OC1)(C)C)N1CCOCC1)/C#N

STK525415
Synonyms: N- [(2E)- 1- (5,5- dimethyl- 2- sulfido- 1,3,2- dioxaphosphinan- 2- yl)pyrrolidin- 2- ylidene]aniline
Smiles: CC1(C)COP(=S)(OC1)N1CCC/C/1=N\c1ccccc1

STK525416
Synonyms: 1- (4- methoxyphenyl)- 1,2- diphenylethanol
Smiles: COc1ccc(cc1)C(c1ccccc1)(Cc1ccccc1)O

STK525417
Synonyms: (2Z)- N'- (diphenylmethylidene)- 2- hydroxy- 4- oxo- 4- phenylbut- 2- enehydrazide
Smiles: O/C(=C\C(=O)c1ccccc1)/C(=O)N/N=C(\c1ccccc1)/c1ccccc1

STK525419
Synonyms: 8- phenyl- 6,7,8,13- tetrahydro- 5H- benzo[6,7]cyclohepta[1,2- d][1,2,4]triazolo[1,5- a]pyrimidine
Smiles: c1ccc(cc1)C1C2=C(Nc3n1ncn3)c1ccccc1CCC2

STK525420
Synonyms: 2- {[5- (furan- 2- yl)- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinolin- 8- yl]amino}ethanol
Smiles: OCCNc1ncnc2c1sc1c2c2CCCCc2c(n1)c1ccco1

STK525421
Synonyms: ethyl(2Z)- 2- (1- ethyl- 2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene)- 7- methyl- 5- (4- methylphenyl)- 3- oxo- 2,3- dihydro- 5H- [1,3]thiazolo[3,2- a]pyrimidine- 6- carboxylate
Smiles: CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)C)c(=O)/c(=C\1/C(=O)N(c3c1cccc3)CC)/s2

STK525422
Synonyms: 6- [(2- cyanoethyl)sulfanyl]- 3,3- dimethyl- 8- (pyrrolidin- 1- yl)- 3,4- dihydro- 1H- pyrano[3,4- c]pyridine- 5- carbonitrile
Smiles: N#CCCSc1nc(N2CCCC2)c2c(c1C#N)CC(OC2)(C)C

STK525424
Synonyms: 2- {[2- (4- chlorophenyl)- 2- oxoethyl]sulfanyl}- 3- (2,2- dimethyltetrahydro- 2H- pyran- 4- yl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: Clc1ccc(cc1)C(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1C1CCOC(C1)(C)C)CCCC3

STK525425
Synonyms: methyl[(5- ethyl- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinolin- 8- yl)sulfanyl]acetate
Smiles: COC(=O)CSc1ncnc2c1sc1c2c2CCCCc2c(n1)CC

STK525426
Synonyms: N'- (4- oxo- 3- phenyl- 3,4,5,6,7,8- hexahydro[1]benzothieno[2,3- d]pyrimidin- 2- yl)benzohydrazide
Smiles: O=C(c1ccccc1)NNc1nc2sc3c(c2c(=O)n1c1ccccc1)CCCC3

STK525428
Synonyms: 8- (benzylsulfanyl)- 5- butyl- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinoline
Smiles: CCCCc1nc2sc3c(c2c2c1CCCC2)ncnc3SCc1ccccc1

STK525429
Synonyms: (2E)- imidazo[1,2- a]pyrimidin- 2- yl(methoxyimino)ethanoicacid
Smiles: CO/N=C(\c1cn2c(n1)nccc2)/C(=O)O

STK525431
Synonyms: 2- [(2- chlorobenzyl)sulfanyl]- 6- (tricyclo[3.3.1.1~3,7~]dec- 1- yl)pyridine- 3- carbonitrile
Smiles: N#Cc1ccc(nc1SCc1ccccc1Cl)C12CC3CC(C2)CC(C1)C3

STK525432
Synonyms: 9- amino- 2,2- dimethyl- 5,10- diphenyl- 2,3- dihydro- 1H- pyrano[3'',2'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8(9H)- one
Smiles: Nn1c(nc2c(c1=O)sc1c2c2CC(C)(C)COc2c(n1)c1ccccc1)c1ccccc1

STK525433
Synonyms: 4- (2- methylphenyl)- 1- sulfanyl- 4H- spiro[benzo[h][1,2,4]triazolo[4,3- a]quinazoline- 6,1'- cyclohexan]- 5(7H)- one
Smiles: Cc1ccccc1n1c2nnc(n2c2c(c1=O)C1(CCCCC1)Cc1c2cccc1)S

STK525437
Synonyms: 2,2- dimethyl- 8- [(2- methylpropyl)sulfanyl]- 5- phenyl- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidine
Smiles: CC(CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)c1ccccc1)C

STK525438
Synonyms: 2- phenoxy- N'- (3,6,6- trimethyl- 4- oxo- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl)acetohydrazide
Smiles: O=C(COc1ccccc1)NNc1nc2sc3c(c2c(=O)n1C)CC(OC3)(C)C

STK525439
Synonyms: 2- amino- 4- (furan- 2- yl)- 3- (4- phenyl- 1,3- thiazol- 2- yl)- 4H,5H- pyrano[3,2- c]chromen- 5- one
Smiles: NC1=C(c2scc(n2)c2ccccc2)C(c2c(O1)c1ccccc1oc2=O)c1ccco1

STK525440
Synonyms: (4- methoxyphenyl)(1- methyl- 3- phenylaziridin- 2- yl)methanone
Smiles: COc1ccc(cc1)C(=O)C1N(C1c1ccccc1)C

STK525443
Synonyms: ethyl4- {[(2Z)- 2- [(phenylcarbonyl)amino]- 3- (pyridin- 4- yl)prop- 2- enoyl]amino}benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)/C(=C/c1ccncc1)/NC(=O)c1ccccc1

STK525444
Synonyms: 2- [(2- methylacryloyl)oxy]ethyl6- amino- 4- (4- chlorophenyl)- 5- cyano- 2- methyl- 4H- pyran- 3- carboxylate
Smiles: N#CC1=C(N)OC(=C(C1c1ccc(cc1)Cl)C(=O)OCCOC(=O)C(=C)C)C

STK525445
Synonyms: 3,3- dimethyl- 8- (2- methylpropyl)- 6- [4- (phenylacetyl)piperazin- 1- yl]- 3,4- dihydro- 1H- pyrano[3,4- c]pyridine- 5- carbonitrile
Smiles: N#Cc1c(nc(c2c1CC(C)(C)OC2)CC(C)C)N1CCN(CC1)C(=O)Cc1ccccc1

STK525446
Synonyms: 3- bromo- 5- chloro- N- {5- chloro- 2- [(1- chloronaphthalen- 2- yl)oxy]phenyl}- 2- hydroxybenzamide
Smiles: Clc1ccc(c(c1)NC(=O)c1cc(Cl)cc(c1O)Br)Oc1ccc2c(c1Cl)cccc2

STK525449
Synonyms: 8- ethyl- 8- methyl- 2- [(2- oxo- 2- phenylethyl)sulfanyl]- 3- phenyl- 3,6,8,9- tetrahydro- 4H- pyrano[3',4':5,6]pyrido[2,3- d]pyrimidin- 4- one
Smiles: CCC1(C)OCc2c(C1)nc1c(c2)c(=O)n(c(n1)SCC(=O)c1ccccc1)c1ccccc1

STK525450
Synonyms: 3- cyclohexyl- 2- (pentylsulfanyl)- 3,5,6,7- tetrahydro- 4H- cyclopenta[4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: CCCCCSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCC3

STK525452
Synonyms: N- [4- ({5- [(Z)- (1- hexyl- 2,4,6- trioxotetrahydropyrimidin- 5(2H)- ylidene)methyl]- 2- methoxybenzyl}oxy)phenyl]acetamide
Smiles: CCCCCCN1C(=O)NC(=O)/C(=C/c2ccc(c(c2)COc2ccc(cc2)NC(=O)C)OC)/C1=O

STK525453
Synonyms: 6- chloro- 3,3- dimethyl- 8- propyl- 3,4- dihydro- 1H- thiopyrano[3,4- c]pyridine- 5- carbonitrile
Smiles: CCCc1nc(Cl)c(c2c1CSC(C2)(C)C)C#N

STK525455
Synonyms: (1S,3aR)- 1- (phenylcarbonyl)- 1,2- dihydropyrrolo[1,2- a]quinoline- 3,3(3aH)- dicarbonitrile
Smiles: N#CC1(C#N)C[C@H](N2[C@@H]1C=Cc1c2cccc1)C(=O)c1ccccc1

STK525456
Synonyms: (1S,2S,3aS)- 2- (3- fluorophenyl)- 1- [(4- fluorophenyl)carbonyl]- 1,2- dihydropyrrolo[1,2- a]quinoline- 3,3(3aH)- dicarbonitrile
Smiles: N#CC1(C#N)[C@H](c2cccc(c2)F)[C@H](N2[C@H]1C=Cc1c2cccc1)C(=O)c1ccc(cc1)F

STK525459
Synonyms: 4'- [3- (butylsulfanyl)- 5- ethoxy- 4H- 1,2,4- triazol- 4- yl]- N- phenyl- 1'H- spiro[cyclohexane- 1,2'- naphthalene]- 3'- carboxamide
Smiles: CCCCSc1nnc(n1C1=C(C(=O)Nc2ccccc2)C2(Cc3c1cccc3)CCCCC2)OCC

STK525460
Synonyms: 1- [(diphenylmethyl)sulfanyl]- 4- (2- methylprop- 2- en- 1- yl)- 6,7,8,9- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: CC(=C)Cn1c2nnc(n2c2c(c1=O)c1CCCCc1s2)SC(c1ccccc1)c1ccccc1

STK525461
Synonyms: 4,7,7- trimethyl- 1- [(3- methylbutyl)sulfanyl]- 6,9- dihydro- 7H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: CC(CCSc1nnc2n1c1sc3c(c1c(=O)n2C)CC(OC3)(C)C)C

STK525463
Synonyms: 6- amino- 3- tert- butyl- 4- (2- chloro- 6- fluorophenyl)- 1- phenyl- 1,4- dihydropyrano[2,3- c]pyrazole- 5- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1c(F)cccc1Cl)c(nn2c1ccccc1)C(C)(C)C

STK525464
Synonyms: ethyl(3- cyano- 4,5,6,7- tetrahydro- 1- benzothiophen- 2- yl)carbamate
Smiles: CCOC(=O)Nc1sc2c(c1C#N)CCCC2

STK525465
Synonyms: 3- ethyl- 2- [(2- oxo- 2- phenylethyl)sulfanyl]- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: CCn1c(SCC(=O)c2ccccc2)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK525468
Synonyms: 2,5- bis(azepan- 1- ylmethyl)- 1,6- bis(4- propoxyphenyl)hexane- 1,6- dione
Smiles: CCCOc1ccc(cc1)C(=O)C(CN1CCCCCC1)CCC(C(=O)c1ccc(cc1)OCCC)CN1CCCCCC1

STK525470
Synonyms: (2E)- 3- (4- bromophenyl)- 1- (2- hydroxyphenyl)prop- 2- en- 1- one
Smiles: Brc1ccc(cc1)/C=C/C(=O)c1ccccc1O

STK525471
Synonyms: propan- 2- yl1- amino- 8,8- dimethyl- 5- (piperidin- 1- yl)- 8,9- dihydro- 6H- pyrano[4,3- d]thieno[2,3- b]pyridine- 2- carboxylate
Smiles: CC(OC(=O)c1sc2c(c1N)c1CC(C)(C)OCc1c(n2)N1CCCCC1)C

STK525472
Synonyms: 3- cyclohexyl- 2- [(2- phenoxyethyl)sulfanyl]- 3,5,6,7- tetrahydro- 4H- cyclopenta[4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: O=c1n(C2CCCCC2)c(SCCOc2ccccc2)nc2c1c1CCCc1s2

STK525473
Synonyms: 2,2- dimethyl- 8- (morpholin- 4- yl)- 5- propyl- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidine
Smiles: CCCc1nc2sc3c(c2c2c1COC(C2)(C)C)ncnc3N1CCOCC1

STK525475
Synonyms: (2R,3R,10bS)- 2- (3- bromophenyl)- 3- (tricyclo[3.3.1.1~3,7~]dec- 1- ylcarbonyl)- 2,3- dihydropyrrolo[2,1- a]isoquinoline- 1,1(10bH)- dicarbonitrile
Smiles: N#CC1(C#N)[C@@H](c2cccc(c2)Br)[C@@H](N2[C@H]1c1ccccc1C=C2)C(=O)C12CC3CC(C2)CC(C1)C3

STK525476
Synonyms: 1- (benzylsulfanyl)- 4- methyl- 6,7,8,9- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: Cn1c2nnc(n2c2c(c1=O)c1CCCCc1s2)SCc1ccccc1

STK525478
Synonyms: N- [5- (N,N- dimethylglycyl)- 10,11- dihydro- 5H- dibenzo[b,f]azepin- 3- yl]benzamide
Smiles: CN(CC(=O)N1c2cc(ccc2CCc2c1cccc2)NC(=O)c1ccccc1)C

STK525479
Synonyms: ethyl2- (2,5- dioxopyrrolidin- 1- yl)- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxylate
Smiles: CCOC(=O)c1c2CCCCc2sc1N1C(=O)CCC1=O

STK525480
Synonyms: methyl1- amino- 7,8,8- trimethyl- 5- (piperidin- 1- yl)- 6,7,8,9- tetrahydrothieno[2,3- c][2,7]naphthyridine- 2- carboxylate
Smiles: COC(=O)c1sc2c(c1N)c1CC(C)(C)N(Cc1c(n2)N1CCCCC1)C

STK525482
Synonyms: 7- benzyl- 3- chloro- 1- (3,3- dimethylpiperidin- 1- yl)- 5,6,7,8- tetrahydro- 2,7- naphthyridine- 4- carbonitrile
Smiles: N#Cc1c(Cl)nc(c2c1CCN(C2)Cc1ccccc1)N1CCCC(C1)(C)C

STK525483
Synonyms: 2- [(3,4- dichlorobenzyl)sulfanyl]- 7- propyl- 5,6,7,8- tetrahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 4- amine
Smiles: CCCN1CCc2c(C1)sc1c2c(N)nc(n1)SCc1ccc(c(c1)Cl)Cl

STK525488
Synonyms: 1- (benzylsulfanyl)- 4- (4- methylphenyl)- 4H- spiro[benzo[h][1,2,4]triazolo[4,3- a]quinazoline- 6,1'- cyclohexan]- 5(7H)- one
Smiles: Cc1ccc(cc1)n1c2nnc(n2c2c(c1=O)C1(CCCCC1)Cc1c2cccc1)SCc1ccccc1

STK525489
Synonyms: 2- (benzylsulfanyl)- 3- phenyl- 6,7,8,9- tetrahydropyrimido[4,5- b]quinolin- 4(3H)- one
Smiles: O=c1c2cc3CCCCc3nc2nc(n1c1ccccc1)SCc1ccccc1

STK525490
Synonyms: 2- (1- benzyl- 2- oxo- 2,3- dihydro- 1H- indol- 3- yl)- 5,7- dimethyl- 1,3- diazatricyclo[3.3.1.1~3,7~]decan- 6- one
Smiles: O=C1N(Cc2ccccc2)c2c(C1C1N3CC4(CN1CC(C3)(C4=O)C)C)cccc2

STK525491
Synonyms: 4- (8- butyl- 5- cyano- 3,3- dimethyl- 3,4- dihydro- 1H- thiopyrano[3,4- c]pyridin- 6- yl)- N- phenylpiperazine- 1- carbothioamide
Smiles: CCCCc1nc(N2CCN(CC2)C(=S)Nc2ccccc2)c(c2c1CSC(C2)(C)C)C#N

STK525492
Synonyms: 2,4- dibromo- 6- {(E)- [(1- {[(E)- (4- methoxyphenyl)methylidene]amino}- 4- phenyl- 1H- imidazol- 2- yl)imino]methyl}phenol
Smiles: COc1ccc(cc1)/C=N/n1cc(nc1/N=C/c1cc(Br)cc(c1O)Br)c1ccccc1

STK525493
Synonyms: (2Z)- N'- (diphenylmethylidene)- 2- hydroxy- 4- (4- methylphenyl)- 4- oxobut- 2- enehydrazide
Smiles: Cc1ccc(cc1)C(=O)/C=C(/C(=O)N/N=C(/c1ccccc1)\c1ccccc1)\O

STK525494
Synonyms: 5- ethyl- 2,2- dimethyl- N- (3- methylbutyl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- amine
Smiles: CCc1nc2sc3c(c2c2c1COC(C2)(C)C)ncnc3NCCC(C)C

STK525495
Synonyms: 2- {[2- (azepan- 1- yl)ethyl]sulfanyl}- 4- (4- chlorophenyl)- 6- phenylpyridine- 3- carbonitrile
Smiles: N#Cc1c(SCCN2CCCCCC2)nc(cc1c1ccc(cc1)Cl)c1ccccc1

STK525496
Synonyms: 6- [(Z)- {2- [(2,4- dichlorophenoxy)acetyl]hydrazinylidene}methyl]- 2,3- dimethoxybenzoicacid
Smiles: COc1c(OC)ccc(c1C(=O)O)/C=N\NC(=O)COc1ccc(cc1Cl)Cl

STK525497
Synonyms: ethyl(2Z)- 3- {3- [(chloroacetyl)(phenyl)amino]- 1H- indol- 2- yl}- 2- cyanoprop- 2- enoate
Smiles: CCOC(=O)/C(=C\c1[nH]c2c(c1N(c1ccccc1)C(=O)CCl)cccc2)/C#N

STK525498
Synonyms: 6,6- dimethyl- 3- (2- methylprop- 2- en- 1- yl)- 2- [(2- oxo- 2- phenylethyl)sulfanyl]- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: CC(=C)Cn1c(SCC(=O)c2ccccc2)nc2c(c1=O)c1CC(C)(C)OCc1s2

STK525499
Synonyms: 4- (4- methoxyphenyl)- 1- (propylsulfanyl)- 4H- spiro[benzo[h][1,2,4]triazolo[4,3- a]quinazoline- 6,1'- cyclohexan]- 5(7H)- one
Smiles: CCCSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2c1ccc(cc1)OC)CCCCC3

STK525500
Synonyms: 2,4- di- tert- butyl- 6- {[(E)- (3- tert- butyl- 2- hydroxyphenyl)methylidene]amino}phenol
Smiles: Oc1c(cccc1C(C)(C)C)/C=N/c1cc(cc(c1O)C(C)(C)C)C(C)(C)C

STK525502
Synonyms: N,N- diethyl- N'- [5- (morpholin- 4- yl)- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinolin- 8- yl]ethane- 1,2- diamine
Smiles: CCN(CCNc1ncnc2c1sc1c2c2CCCCc2c(n1)N1CCOCC1)CC

STK525504
Synonyms: N- phenyl- 2- (3,6,6- trimethyl- 4- oxo- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl)hydrazinecarbothioamide
Smiles: S=C(Nc1ccccc1)NNc1nc2sc3c(c2c(=O)n1C)CC(OC3)(C)C

STK525505
Synonyms: 5- (2,4- dinitrophenyl)- 1,3- dimethylpyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: O=C1N(C)C(=O)N(C(=O)C1c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C

STK525509
Synonyms: 2,2- dimethyl- 5- (morpholin- 4- yl)- N- (pyridin- 2- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- amine
Smiles: CC1(C)OCc2c(C1)c1c(nc2N2CCOCC2)sc2c1ncnc2Nc1ccccn1

STK525510
Synonyms: 1- {[2- (4- bromophenyl)- 2- oxoethyl]sulfanyl}- 4- (4- methylphenyl)- 4H- spiro[benzo[h][1,2,4]triazolo[4,3- a]quinazoline- 6,1'- cyclohexan]- 5(7H)- one
Smiles: Cc1ccc(cc1)n1c2nnc(n2c2c(c1=O)C1(CCCCC1)Cc1c2cccc1)SCC(=O)c1ccc(cc1)Br

STK525511
Synonyms: 2- bromo- N- {3- chloro- 4- [(1- chloronaphthalen- 2- yl)oxy]phenyl}benzamide
Smiles: Clc1cc(ccc1Oc1ccc2c(c1Cl)cccc2)NC(=O)c1ccccc1Br

STK525513
Synonyms: 4'- [3- (benzylsulfanyl)- 5- ethoxy- 4H- 1,2,4- triazol- 4- yl]- N- (3- methylphenyl)- 1'H- spiro[cyclohexane- 1,2'- naphthalene]- 3'- carboxamide
Smiles: CCOc1nnc(n1C1=C(C(=O)Nc2cccc(c2)C)C2(Cc3c1cccc3)CCCCC2)SCc1ccccc1

STK525514
Synonyms: 1- (diphenylamino)- 1H- pyrrole- 2,5- dione
Smiles: O=C1C=CC(=O)N1N(c1ccccc1)c1ccccc1

STK525517
Synonyms: 2- {[2- (3,5- dimethyl- 1H- pyrazol- 1- yl)- 2- oxoethyl]sulfanyl}- 4- (4- fluorophenyl)- 6- phenylpyridine- 3- carbonitrile
Smiles: N#Cc1c(SCC(=O)n2nc(cc2C)C)nc(cc1c1ccc(cc1)F)c1ccccc1

STK525520
Synonyms: 2- (heptylsulfanyl)- 8,8- dimethyl- 3- phenyl- 3,6,8,9- tetrahydro- 4H- pyrano[3',4':5,6]pyrido[2,3- d]pyrimidin- 4- one
Smiles: CCCCCCCSc1nc2nc3CC(C)(C)OCc3cc2c(=O)n1c1ccccc1

STK525521
Synonyms: N- (7- butyl- 2,3- dihydro- 1,4- benzodioxin- 6- yl)- 2- (piperidin- 1- yl)acetamide
Smiles: CCCCc1cc2OCCOc2cc1NC(=O)CN1CCCCC1

STK525522
Synonyms: (1Z)- 1- (4- bromophenyl)- N- [(4,6- dimethylpyrimidin- 2- yl)oxy]ethanimine
Smiles: Brc1ccc(cc1)/C(=N\Oc1nc(C)cc(n1)C)/C

STK525523
Synonyms: 4- (4- fluorophenyl)- 2- {[2- (morpholin- 4- yl)ethyl]sulfanyl}- 6- (thiophen- 2- yl)pyridine- 3- carbonitrile
Smiles: N#Cc1c(SCCN2CCOCC2)nc(cc1c1ccc(cc1)F)c1cccs1

STK525525
Synonyms: ethyl6- amino- 5- cyano- 2- {[(3- cyano- 6,7,8,9- tetrahydro- 5H- cyclohepta[b]pyridin- 2- yl)sulfanyl]methyl}- 4- (thiophen- 2- yl)- 4H- pyran- 3- carboxylate
Smiles: CCOC(=O)C1=C(CSc2nc3CCCCCc3cc2C#N)OC(=C(C1c1cccs1)C#N)N

STK525526
Synonyms: ethyl(2Z)- 2- {[3- (4- chlorophenyl)- 1- phenyl- 1H- pyrazol- 4- yl]methylidene}- 5- (4- methoxyphenyl)- 7- methyl- 3- oxo- 2,3- dihydro- 5H- [1,3]thiazolo[3,2- a]pyrimidine- 6- carboxylate
Smiles: CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)/c(=C/c1cn(nc1c1ccc(cc1)Cl)c1ccccc1)/s2

STK525528
Synonyms: N- butyl- 5- methyl- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinolin- 8- amine
Smiles: CCCCNc1ncnc2c1sc1c2c2CCCCc2c(n1)C

STK525531
Synonyms: 8- benzyl- 4- phenyl- 6,7,8,9- tetrahydropyrido[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: O=c1c2c3CCN(Cc3sc2n2c(n1c1ccccc1)nnc2)Cc1ccccc1

STK525532
Synonyms: 2- [(2E)- 2- (furan- 2- ylmethylidene)hydrazinyl]- 3,6,6- trimethyl- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: Cn1c(N/N=C/c2ccco2)nc2c(c1=O)c1CC(C)(C)OCc1s2

STK525533
Synonyms: methyl(2Z)- 3- (5- bromofuran- 2- yl)- 2- [(phenylcarbonyl)amino]prop- 2- enoate
Smiles: COC(=O)/C(=C/c1ccc(o1)Br)/NC(=O)c1ccccc1

STK525536
Synonyms: [3- amino- 7- tert- butyl- 4- (thiophen- 2- yl)- 5,6,7,8- tetrahydrothieno[2,3- b]quinolin- 2- yl](phenyl)methanone
Smiles: O=C(c1sc2c(c1N)c(c1cccs1)c1c(n2)CC(CC1)C(C)(C)C)c1ccccc1

STK525537
Synonyms: 3- (3,5- dimethyl- 1H- pyrazol- 1- yl)- 5- methyl- 5H- [1,2,4]triazino[5,6- b]indole
Smiles: Cc1nn(c(c1)C)c1nnc2c(n1)n(C)c1c2cccc1

STK525539
Synonyms: 2,2,5,5- tetramethyl- 2,5- dihydro- 1H- imidazol- 1- ol3- oxide
Smiles: [O-][N+]1=CC(N(C1(C)C)O)(C)C

STK525541
Synonyms: 4- (4- fluorophenyl)- 2- {[2- (4- methylpiperazin- 1- yl)- 2- oxoethyl]sulfanyl}- 6- phenylpyridine- 3- carbonitrile
Smiles: N#Cc1c(SCC(=O)N2CCN(CC2)C)nc(cc1c1ccc(cc1)F)c1ccccc1

STK525544
Synonyms: [2- (benzyloxy)phenyl][3- (6- chloro- 4H- 1,3- benzodioxin- 8- yl)oxiran- 2- yl]methanone
Smiles: Clc1cc(C2OC2C(=O)c2ccccc2OCc2ccccc2)c2c(c1)COCO2

STK525545
Synonyms: 10- methyl- 5- (morpholin- 4- yl)- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinolin- 8(9H)- one
Smiles: Cc1[nH]c(=O)c2c(n1)c1c(s2)nc(c2c1CCCC2)N1CCOCC1

STK525548
Synonyms: ethyl5- butyl- 1- {[(E)- ethoxymethylidene]amino}- 6,7,8,9- tetrahydrothieno[2,3- c]isoquinoline- 2- carboxylate
Smiles: CCCCc1nc2sc(c(c2c2c1CCCC2)/N=C/OCC)C(=O)OCC

STK525549
Synonyms: (2E)- 3- (2- chloro- 7- ethoxyquinolin- 3- yl)- 1- phenylprop- 2- en- 1- one
Smiles: CCOc1ccc2c(c1)nc(c(c2)/C=C/C(=O)c1ccccc1)Cl

STK525550
Synonyms: (2R,3R,10bS)- 2- (3- fluorophenyl)- 3- (tricyclo[3.3.1.1~3,7~]dec- 1- ylcarbonyl)- 2,3- dihydropyrrolo[2,1- a]isoquinoline- 1,1(10bH)- dicarbonitrile
Smiles: N#CC1(C#N)[C@@H](c2cccc(c2)F)[C@@H](N2[C@H]1c1ccccc1C=C2)C(=O)C12CC3CC(C2)CC(C1)C3

STK525551
Synonyms: N,N'- bis[3- (trifluoromethyl)phenyl]- 1,4,10- trioxa- 7,13- diazacyclopentadecane- 7,13- dicarboxamide
Smiles: O=C(N1CCOCCN(CCOCCOCC1)C(=O)Nc1cccc(c1)C(F)(F)F)Nc1cccc(c1)C(F)(F)F

STK525552
Synonyms: N- {(1Z)- 1- (anthracen- 9- yl)- 3- [(3- methylphenyl)amino]- 3- oxoprop- 1- en- 2- yl}benzamide
Smiles: Cc1cccc(c1)NC(=O)/C(=C/c1c2ccccc2cc2c1cccc2)/NC(=O)c1ccccc1

STK525553
Synonyms: N- (2- chloro- 5- methoxyphenyl)- 2- hydroxy- 3,5- diiodobenzamide
Smiles: COc1ccc(c(c1)NC(=O)c1cc(I)cc(c1O)I)Cl

STK525555
Synonyms: 2'- [(2,4- dichlorophenyl)amino]- 6'- (diethylamino)- 3H- spiro[2- benzofuran- 1,9'- xanthen]- 3- one
Smiles: CCN(c1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)cc(cc1)Nc1ccc(cc1Cl)Cl)CC

STK525557
Synonyms: 3- (3,4- dichlorophenyl)- 1- [3- (3,4- dichlorophenyl)- 5,5- dimethyl- 1- (3- methylbutyl)- 2- oxoimidazolidin- 4- yl]- 1- hydroxyurea
Smiles: CC(CCN1C(=O)N(C(C1(C)C)N(C(=O)Nc1ccc(c(c1)Cl)Cl)O)c1ccc(c(c1)Cl)Cl)C

STK525558
Synonyms: 3- (4- chlorophenyl)- 1- [3- (4- chlorophenyl)- 1- {5- [(2Z)- 2- (2,4- dichlorobenzylidene)hydrazinyl]- 5- oxopentyl}- 5,5- dimethyl- 2- oxoimidazolidin- 4- yl]- 1- hydroxyurea
Smiles: O=C(N/N=C\c1ccc(cc1Cl)Cl)CCCCN1C(=O)N(C(C1(C)C)N(C(=O)Nc1ccc(cc1)Cl)O)c1ccc(cc1)Cl

STK525560
Synonyms: 6- (4- butanoylpiperazin- 1- yl)- 3,3- dimethyl- 8- (2- methylpropyl)- 3,4- dihydro- 1H- pyrano[3,4- c]pyridine- 5- carbonitrile
Smiles: CCCC(=O)N1CCN(CC1)c1nc(CC(C)C)c2c(c1C#N)CC(OC2)(C)C

STK525562
Synonyms: ethylN- {(2Z)- 3- (4- bromophenyl)- 2- [(phenylcarbonyl)amino]prop- 2- enoyl}leucinate
Smiles: CCOC(=O)C(NC(=O)/C(=C/c1ccc(cc1)Br)/NC(=O)c1ccccc1)CC(C)C

STK525563
Synonyms: 4- phenyl- 1- {[4- (propan- 2- yloxy)benzyl]sulfanyl}- 4H- spiro[benzo[h][1,2,4]triazolo[4,3- a]quinazoline- 6,1'- cyclohexan]- 5(7H)- one
Smiles: CC(Oc1ccc(cc1)CSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2c1ccccc1)CCCCC3)C

STK525566
Synonyms: 1- {[2- (4- bromophenyl)- 2- oxoethyl]sulfanyl}- 4- (2- methoxyphenyl)- 4H- spiro[benzo[h][1,2,4]triazolo[4,3- a]quinazoline- 6,1'- cyclohexan]- 5(7H)- one
Smiles: COc1ccccc1n1c2nnc(n2c2c(c1=O)C1(CCCCC1)Cc1c2cccc1)SCC(=O)c1ccc(cc1)Br

STK525567
Synonyms: 5- ethyl- 2,2- dimethyl- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- ol
Smiles: CCc1nc2sc3c(c2c2c1COC(C2)(C)C)ncnc3O

STK525568
Synonyms: 7- tert- butyl- 3- (prop- 2- en- 1- yl)- 2- (prop- 2- en- 1- ylsulfanyl)- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: C=CCn1c(SCC=C)nc2c(c1=O)c1CCC(Cc1s2)C(C)(C)C

STK525570
Synonyms: 4- benzyl- 1- [(3- methylbutyl)sulfanyl]- 4H- spiro[benzo[h][1,2,4]triazolo[4,3- a]quinazoline- 6,1'- cyclohexan]- 5(7H)- one
Smiles: CC(CCSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2Cc1ccccc1)CCCCC3)C

STK525571
Synonyms: 10,11- dihydro- 5H- dibenzo[b,f]azepin- 5- yl(4- methylpiperazin- 1- yl)methanone
Smiles: CN1CCN(CC1)C(=O)N1c2ccccc2CCc2c1cccc2

STK525573
Synonyms: 4- (4- methoxyphenyl)- 1- (prop- 2- en- 1- ylsulfanyl)- 7,8,9,10- tetrahydro- 6H- cyclohepta[4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: C=CCSc1nnc2n1c1sc3c(c1c(=O)n2c1ccc(cc1)OC)CCCCC3

STK525574
Synonyms: N- {4- chloro- 3- [(4- methylphenyl)carbonyl]phenyl}- 2- hydroxy- 3,5- diiodobenzamide
Smiles: Cc1ccc(cc1)C(=O)c1cc(ccc1Cl)NC(=O)c1cc(I)cc(c1O)I

STK525575
Synonyms: (8S,8aS)- 6- amino- 8- (2,4- difluorophenyl)- 2,3,8,8a- tetrahydroisoquinoline- 5,7,7(1H)- tricarbonitrile
Smiles: N#CC1=C(N)C([C@H]([C@H]2C1=CCNC2)c1ccc(cc1F)F)(C#N)C#N

STK525576
Synonyms: 7- methyl- 3- (4- methylphenyl)- 2- (methylsulfanyl)- 5,6,7,8- tetrahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)CCN(C3)C

STK525577
Synonyms: 2- undecyl- 1,3- benzoxazole
Smiles: CCCCCCCCCCCc1nc2c(o1)cccc2

STK525579
Synonyms: 4- amino- 5- [(4- chlorophenyl)carbonyl]- 2- [(4- fluorophenyl)amino]thiophene- 3- carbonitrile
Smiles: N#Cc1c(Nc2ccc(cc2)F)sc(c1N)C(=O)c1ccc(cc1)Cl

STK525582
Synonyms: 6- ethyl- 6- methyl- 2- [(3- methylbutyl)sulfanyl]- 3- phenyl- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: CCC1(C)OCc2c(C1)c1c(s2)nc(n(c1=O)c1ccccc1)SCCC(C)C

STK525584
Synonyms: 5- benzyl- 2,4- diiodopyridin- 3- ol
Smiles: Ic1ncc(c(c1O)I)Cc1ccccc1

STK525585
Synonyms: dimethyl(acetylamino)(phenylamino)propanedioate
Smiles: COC(=O)C(C(=O)OC)(Nc1ccccc1)NC(=O)C

STK525587
Synonyms: 3,9- bis(4- bromophenyl)- 2,4,8,10- tetraoxaspiro[5.5]undecane
Smiles: Brc1ccc(cc1)C1OCC2(CO1)COC(OC2)c1ccc(cc1)Br

STK525588
Synonyms: benzyl{[4- (4- chlorophenyl)- 3- cyano- 6,7- dihydro- 5H- cyclopenta[b]pyridin- 2- yl]sulfanyl}acetate
Smiles: N#Cc1c(SCC(=O)OCc2ccccc2)nc2c(c1c1ccc(cc1)Cl)CCC2

STK525590
Synonyms: N- (2- {(2E)- 2- [(2- ethoxynaphthalen- 1- yl)methylidene]hydrazinyl}- 2- oxoethyl)- 2- (3- methylphenoxy)acetamide(non- preferredname)
Smiles: CCOc1ccc2c(c1/C=N/NC(=O)CNC(=O)COc1cccc(c1)C)cccc2

STK525593
Synonyms: 3- bromo- 5- chloro- N- {5- chloro- 2- [(4- chloronaphthalen- 1- yl)oxy]phenyl}- 2- hydroxybenzamide
Smiles: Clc1ccc(c(c1)NC(=O)c1cc(Cl)cc(c1O)Br)Oc1ccc(c2c1cccc2)Cl

STK525594
Synonyms: 4- (2- methoxyphenyl)- 1- (prop- 2- yn- 1- ylsulfanyl)- 4H- spiro[benzo[h][1,2,4]triazolo[4,3- a]quinazoline- 6,1'- cyclohexan]- 5(7H)- one
Smiles: C#CCSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2c1ccccc1OC)CCCCC3

STK525595
Synonyms: 2- {(5Z)- 5- [1- (carboxymethyl)- 2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene]- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl}propanoicacid
Smiles: OC(=O)CN1C(=O)/C(=C/2\SC(=S)N(C2=O)C(C(=O)O)C)/c2c1cccc2

STK525596
Synonyms: 2- [(5Z)- 5- {[5- (4- nitrophenyl)furan- 2- yl]methylidene}- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]pentanedioicacid
Smiles: OC(=O)CCC(N1C(=S)S/C(=C\c2ccc(o2)c2ccc(cc2)[N+](=O)[O-])/C1=O)C(=O)O

STK525599
Synonyms: 2,3,5,6,8,9- hexahydro- 1,4,7,10- benzotetraoxacyclododecin- 12- yl(phenyl)methanone
Smiles: O=C(c1ccccc1)c1ccc2c(c1)OCCOCCOCCO2

STK525600
Synonyms: N- (6- bromo- 2- oxo- 4- phenyl- 1,2- dihydroquinolin- 3- yl)- 3- (piperidin- 1- yl)propanamide
Smiles: O=C(Nc1c(=O)[nH]c2c(c1c1ccccc1)cc(cc2)Br)CCN1CCCCC1

STK525601
Synonyms: 1- (4- methoxyphenyl)- 2- phenyl- 3- (pyrrolidin- 1- yl)propan- 1- ol
Smiles: COc1ccc(cc1)C(C(c1ccccc1)CN1CCCC1)O

STK525602
Synonyms: ethylN- [(benzyloxy)carbonyl]serylglycinate
Smiles: CCOC(=O)CNC(=O)C(NC(=O)OCc1ccccc1)CO

STK525603
Synonyms: 2- [(2- methylacryloyl)oxy]ethyl6- amino- 5- cyano- 4- (4- ethylphenyl)- 2- methyl- 4H- pyran- 3- carboxylate
Smiles: N#CC1=C(N)OC(=C(C1c1ccc(cc1)CC)C(=O)OCCOC(=O)C(=C)C)C

STK525604
Synonyms: 1,3- dichloro- 7- methyl- 5,6,7,8- tetrahydro- 2,7- naphthyridine- 4- carbonitrile
Smiles: N#Cc1c(Cl)nc(c2c1CCN(C2)C)Cl

STK525605
Synonyms: ethyl[6,6- dimethyl- 2- (methylsulfanyl)- 4- oxo- 5,8- dihydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 3(6H)- yl]acetate
Smiles: CCOC(=O)Cn1c(SC)nc2c(c1=O)c1CC(C)(C)OCc1s2

STK525606
Synonyms: (5Z)- 3- benzyl- 5- (4- nitrobenzylidene)- 2- phenyl- 3,5- dihydro- 4H- imidazol- 4- one
Smiles: O=C1/C(=C/c2ccc(cc2)[N+](=O)[O-])/N=C(N1Cc1ccccc1)c1ccccc1

STK525607
Synonyms: 1- [3- (3- chloro- 4- methoxyphenyl)propyl]guanidine
Smiles: COc1ccc(cc1Cl)CCCNC(=N)N

STK525609
Synonyms: 2- (ethylsulfanyl)- 7- methyl- 3- (4- methylphenyl)- 5,6,7,8- tetrahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: CCSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)CCN(C3)C

STK525610
Synonyms: 10- amino- 3- benzyl- 7,11- dicyano- 9- aza- 3- azoniaspiro[5.5]undeca- 7,10- diene- 8- thiolate
Smiles: N#CC1=C([S-])NC(=C(C21CC[NH+](CC2)Cc1ccccc1)C#N)N

STK525611
Synonyms: 5- (1,2- dibromoethyl)- 1H- tetrazole
Smiles: BrCC(c1nnn[nH]1)Br

STK525612
Synonyms: (5Z)- 5- [4- (diethylamino)- 2- hydroxybenzylidene]- 1- (4- fluorobenzyl)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCN(c1ccc(c(c1)O)/C=C\1/C(=O)NC(=O)N(C1=O)Cc1ccc(cc1)F)CC

STK525613
Synonyms: 2- {(5Z)- 5- [1- (carboxymethyl)- 2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene]- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl}- 3- methylbutanoicacid
Smiles: OC(=O)CN1C(=O)/C(=C/2\SC(=S)N(C2=O)C(C(=O)O)C(C)C)/c2c1cccc2

STK525616
Synonyms: methyl4- [(8S,8aR)- 6- amino- 2- benzyl- 5,7,7- tricyano- 1,2,3,7,8,8a- hexahydroisoquinolin- 8- yl]benzoate
Smiles: COC(=O)c1ccc(cc1)[C@@H]1[C@H]2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)Cc1ccccc1

STK525618
Synonyms: 5- (diethylsulfonio)- 2,4,6- trioxo- 1- [3- (trifluoromethyl)phenyl]hexahydropyrimidin- 5- ide
Smiles: CC[S+]([C-]1C(=O)NC(=O)N(C1=O)c1cccc(c1)C(F)(F)F)CC

STK525619
Synonyms: dimethyl2,2'- [(1,3- dioxopropane- 1,3- diyl)diimino]dibenzoate
Smiles: COC(=O)c1ccccc1NC(=O)CC(=O)Nc1ccccc1C(=O)OC

STK525620
Synonyms: N- {(1E)- 1- (4- bromophenyl)- 3- [(4- methylphenyl)amino]- 3- oxoprop- 1- en- 2- yl}benzamide
Smiles: Cc1ccc(cc1)NC(=O)/C(=C\c1ccc(cc1)Br)/NC(=O)c1ccccc1

STK525621
Synonyms: 2- [(4- bromobenzyl)sulfanyl]- 3- (3- bromophenyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: Brc1cccc(c1)n1c(SCc2ccc(cc2)Br)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK525622
Synonyms: (2Z)- {2- [4- (diethylamino)phenyl]hydrazinylidene}[4- (2- oxo- 2H- chromen- 3- yl)- 1,3- thiazol- 2- yl]ethanenitrile
Smiles: CCN(c1ccc(cc1)N/N=C(\c1scc(n1)c1cc2ccccc2oc1=O)/C#N)CC

STK525623
Synonyms: methyl2,2,4- trichloro- 4- (2- methyl- 2H- tetrazol- 5- yl)butanoate
Smiles: COC(=O)C(CC(c1nnn(n1)C)Cl)(Cl)Cl

STK525625
Synonyms: 5,5'- [ethane- 1,2- diylbis(iminomethylylidene)]bis(1,3- dimethylpyrimidine- 2,4,6(1H,3H,5H)- trione)
Smiles: CN1C(=O)N(C)C(=O)C(=CNCCNC=C2C(=O)N(C)C(=O)N(C2=O)C)C1=O

STK525626
Synonyms: 5,7- bis(4- chlorophenyl)[1,2,4]triazolo[1,5- a]pyrimidin- 2- amine
Smiles: Clc1ccc(cc1)c1nc2nc(nn2c(c1)c1ccc(cc1)Cl)N

STK525627
Synonyms: 5- (dimethylsulfonio)- 1- (4- methoxybenzyl)- 2,4,6- trioxohexahydropyrimidin- 5- ide
Smiles: COc1ccc(cc1)CN1C(=O)NC(=O)[C-](C1=O)[S+](C)C

STK525628
Synonyms: ethyl6- amino- 2- (chloromethyl)- 5- cyano- 4- (2- iodophenyl)- 4H- pyran- 3- carboxylate
Smiles: CCOC(=O)C1=C(CCl)OC(=C(C1c1ccccc1I)C#N)N

STK525629
Synonyms: 4- (4- methoxyphenyl)- 1- (methylsulfanyl)- 7,8- dihydro- 6H- cyclopenta[4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: COc1ccc(cc1)n1c(=O)c2c3CCCc3sc2n2c1nnc2SC

STK525630
Synonyms: 2- bromo- 5- chloro- N- (3,4- dimethoxybenzyl)pentanamide
Smiles: ClCCCC(C(=O)NCc1ccc(c(c1)OC)OC)Br

STK525632
Synonyms: 3,5- dibromo- N- {4- chloro- 2- [(4- chlorophenyl)carbonyl]phenyl}- 2- hydroxybenzamide
Smiles: Clc1ccc(c(c1)C(=O)c1ccc(cc1)Cl)NC(=O)c1cc(Br)cc(c1O)Br

STK525635
Synonyms: (5Z)- 5- (2- fluorobenzylidene)- 3- (4- methylphenyl)- 2- phenyl- 3,5- dihydro- 4H- imidazol- 4- one
Smiles: Cc1ccc(cc1)N1C(=O)/C(=C/c2ccccc2F)/N=C1c1ccccc1

STK525638
Synonyms: 1- (butylsulfanyl)- 4- (2- phenylethyl)- 4H- spiro[benzo[h][1,2,4]triazolo[4,3- a]quinazoline- 6,1'- cyclohexan]- 5(7H)- one
Smiles: CCCCSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2CCc1ccccc1)CCCCC3

STK525639
Synonyms: N,N'- hexane- 1,6- diylbis(4- butoxybenzenesulfonamide)
Smiles: CCCCOc1ccc(cc1)S(=O)(=O)NCCCCCCNS(=O)(=O)c1ccc(cc1)OCCCC

STK525640
Synonyms: N- [3- cyano- 1- (4- methoxyphenyl)- 1H- pyrrolo[2,3- b]quinoxalin- 2- yl]benzamide
Smiles: COc1ccc(cc1)n1c2nc3ccccc3nc2c(c1NC(=O)c1ccccc1)C#N

STK525641
Synonyms: 1- (2,3,5,6,8,9,11,12- octahydro- 1,4,7,10,13- benzopentaoxacyclopentadecin- 15- yl)- 2- phenylethanone
Smiles: O=C(c1ccc2c(c1)OCCOCCOCCOCCO2)Cc1ccccc1

STK525642
Synonyms: diethylbis(3,5- di- tert- butyl- 4- hydroxybenzyl)propanedioate
Smiles: CCOC(=O)C(C(=O)OCC)(Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C

STK525643
Synonyms: N- {(1E)- 3- [(4- methylphenyl)amino]- 3- oxo- 1- phenylprop- 1- en- 2- yl}- 4- (2- methylpropoxy)benzamide
Smiles: CC(COc1ccc(cc1)C(=O)N/C(=C/c1ccccc1)/C(=O)Nc1ccc(cc1)C)C

STK525644
Synonyms: 1,1'- [oxybis(2- nitrobenzene- 4,1- diyl)]bis(1H- tetrazole)
Smiles: [O-][N+](=O)c1cc(ccc1n1cnnn1)Oc1ccc(c(c1)[N+](=O)[O-])n1cnnn1

STK525645
Synonyms: 1- (furan- 2- yl)- 3- [(3- methylbutyl)amino]- 5,6,7,8- tetrahydroisoquinoline- 4- carbonitrile
Smiles: N#Cc1c(NCCC(C)C)nc(c2c1CCCC2)c1ccco1

STK525646
Synonyms: 1- [(4- bromobenzyl)sulfanyl]- 4- (4- methoxyphenyl)- 7,8,9,10- tetrahydro- 6H- cyclohepta[4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: COc1ccc(cc1)n1c2nnc(n2c2c(c1=O)c1CCCCCc1s2)SCc1ccc(cc1)Br

STK525647
Synonyms: N- [3- (carbamoylamino)- 3- oxo- 2- (triphenyl- lambda~5~- phosphanylidene)propanethioyl]benzamide
Smiles: NC(=O)NC(=O)C(=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(=S)NC(=O)c1ccccc1

STK525648
Synonyms: 4- (4- methylphenyl)- 1- (prop- 2- en- 1- ylsulfanyl)- 4H- spiro[benzo[h][1,2,4]triazolo[4,3- a]quinazoline- 6,1'- cyclohexan]- 5(7H)- one
Smiles: C=CCSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2c1ccc(cc1)C)CCCCC3

STK525649
Synonyms: 6- [(2- aminoethyl)amino]- 8- ethyl- 3,3- dimethyl- 3,4- dihydro- 1H- thiopyrano[3,4- c]pyridine- 5- carbonitrile
Smiles: NCCNc1nc(CC)c2c(c1C#N)CC(SC2)(C)C

STK525650
Synonyms: 5,7- diethyl- 2- (3- nitrophenyl)- 1,3- diazatricyclo[3.3.1.1~3,7~]decan- 6- one
Smiles: CCC12CN3CC(C2=O)(CN(C1)C3c1cccc(c1)[N+](=O)[O-])CC

STK525651
Synonyms: 4- [5- (4- methoxyphenyl)- 1,3,4- oxadiazol- 2- yl]benzaldehyde
Smiles: COc1ccc(cc1)c1nnc(o1)c1ccc(cc1)C=O

STK525652
Synonyms: ethyl1- amino- 5- butyl- 6,7,8,9- tetrahydrothieno[2,3- c]isoquinoline- 2- carboxylate
Smiles: CCCCc1nc2sc(c(c2c2c1CCCC2)N)C(=O)OCC

STK525653
Synonyms: 3- benzyl- 7- tert- butyl- 2- [(2- oxobutyl)sulfanyl]- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: CCC(=O)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCC(C3)C(C)(C)C

STK525655
Synonyms: 8- ethoxy- 2,2- dimethyl- 5- (2- methylpropyl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidine
Smiles: CCOc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)CC(C)C

STK525656
Synonyms: 2- [(diethylamino)methyl]- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: CCN(Cc1nc2c3ccccc3CC3(c2c(=O)[nH]1)CCCC3)CC

STK525659
Synonyms: 3- amino- N- methyl- 3- thioxopropanamide
Smiles: CNC(=O)CC(=S)N

STK525660
Synonyms: 4- (decyloxy)- N'- {(E)- [5- (quinolin- 8- ylsulfanyl)furan- 2- yl]methylidene}benzohydrazide
Smiles: CCCCCCCCCCOc1ccc(cc1)C(=O)N/N=C/c1ccc(o1)Sc1cccc2c1nccc2

STK525661
Synonyms: (1S,2S,3aR)- 2- (4- bromophenyl)- 1- [(4- fluorophenyl)carbonyl]- 1,2- dihydropyrrolo[1,2- a]quinoline- 3,3(3aH)- dicarbonitrile
Smiles: N#CC1(C#N)[C@H](c2ccc(cc2)Br)[C@H](N2[C@@H]1C=Cc1c2cccc1)C(=O)c1ccc(cc1)F

STK525662
Synonyms: 4- oxotetrahydrothiophene- 3- carboxamide
Smiles: NC(=O)C1CSCC1=O

STK525663
Synonyms: 4- (4- methoxyphenyl)- 1- [(2- methylprop- 2- en- 1- yl)sulfanyl]- 7,8,9,10- tetrahydro- 6H- cyclohepta[4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: COc1ccc(cc1)n1c(=O)c2c3CCCCCc3sc2n2c1nnc2SCC(=C)C

STK525665
Synonyms: 2- (3,5- di- tert- butyl- 4- hydroxybenzyl)- 5,5- dimethylcyclohexane- 1,3- dione
Smiles: O=C1CC(C)(C)CC(=O)C1Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C

STK525666
Synonyms: 2- [(2- methylacryloyl)oxy]ethyl6- amino- 5- cyano- 2- methyl- 4- (pyridin- 3- yl)- 4H- pyran- 3- carboxylate
Smiles: N#CC1=C(N)OC(=C(C1c1cccnc1)C(=O)OCCOC(=O)C(=C)C)C

STK525667
Synonyms: 4- (4- methylphenyl)- 1- (methylsulfanyl)- 7,8- dihydro- 6H- cyclopenta[4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccc(cc1)C)CCC3

STK525669
Synonyms: (1S,2S,3aR)- 2- (3,4- dichlorophenyl)- 1- (phenylcarbonyl)- 1,2- dihydrobenzo[h]pyrrolo[1,2- a]quinoline- 3,3(3aH)- dicarbonitrile
Smiles: N#CC1(C#N)[C@H](c2ccc(c(c2)Cl)Cl)[C@H](N2[C@@H]1C=Cc1c2c2ccccc2cc1)C(=O)c1ccccc1

STK525670
Synonyms: N- [8,8- dimethyl- 5- (morpholin- 4- yl)- 2- (phenylcarbonyl)- 8,9- dihydro- 6H- pyrano[4,3- d]thieno[2,3- b]pyridin- 1- yl]benzamide
Smiles: O=C(c1sc2c(c1NC(=O)c1ccccc1)c1CC(C)(C)OCc1c(n2)N1CCOCC1)c1ccccc1

STK525671
Synonyms: 5- butyl- 2,2- dimethyl- N- (tetrahydrofuran- 2- ylmethyl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- amine
Smiles: CCCCc1nc2sc3c(c2c2c1COC(C2)(C)C)ncnc3NCC1CCCO1

STK525672
Synonyms: (2R,3R,10bS)- 2- (4- chloro- 3- nitrophenyl)- 3- (tricyclo[3.3.1.1~3,7~]dec- 1- ylcarbonyl)- 2,3- dihydropyrrolo[2,1- a]isoquinoline- 1,1(10bH)- dicarbonitrile
Smiles: N#CC1(C#N)[C@@H](c2ccc(c(c2)[N+](=O)[O-])Cl)[C@@H](N2[C@H]1c1ccccc1C=C2)C(=O)C12CC3CC(C2)CC(C1)C3

STK525673
Synonyms: 2,5- bis{[bis(2- chloroethyl)amino]methyl}- 1,6- bis(4- butoxyphenyl)hexane- 1,6- dione
Smiles: ClCCN(CC(C(=O)c1ccc(cc1)OCCCC)CCC(C(=O)c1ccc(cc1)OCCCC)CN(CCCl)CCCl)CCCl

STK525676
Synonyms: ethyl2- ({(2E)- 2- cyano- 3- [5- (4- nitrophenyl)furan- 2- yl]prop- 2- enoyl}amino)- 4- (4- methoxyphenyl)thiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(scc1c1ccc(cc1)OC)NC(=O)/C(=C/c1ccc(o1)c1ccc(cc1)[N+](=O)[O-])/C#N

STK525677
Synonyms: 2,6- diethyl- 4- methylpyridin- 3- ol
Smiles: CCc1cc(C)c(c(n1)CC)O

STK525679
Synonyms: 3- benzyl- 2- (propan- 2- ylsulfanyl)- 3,5,6,7- tetrahydro- 4H- cyclopenta[4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: CC(Sc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCC3)C

STK525680
Synonyms: ethyl(2Z)- 2- {[3- (4- chlorophenyl)- 1- phenyl- 1H- pyrazol- 4- yl]methylidene}- 7- methyl- 3- oxo- 5- [(E)- 2- phenylethenyl]- 2,3- dihydro- 5H- [1,3]thiazolo[3,2- a]pyrimidine- 6- carboxylate
Smiles: CCOC(=O)C1=C(C)N=c2n(C1/C=C/c1ccccc1)c(=O)/c(=C/c1cn(nc1c1ccc(cc1)Cl)c1ccccc1)/s2

STK525681
Synonyms: methyl{[3- cyano- 6- (tricyclo[3.3.1.1~3,7~]dec- 1- yl)pyridin- 2- yl]sulfanyl}acetate
Smiles: COC(=O)CSc1nc(ccc1C#N)C12CC3CC(C2)CC(C1)C3

STK525682
Synonyms: 7- ethoxy- 3- [(1E)- 3- oxo- 3- (thiophen- 2- yl)prop- 1- en- 1- yl]quinolin- 2(1H)- one
Smiles: CCOc1ccc2c(c1)[nH]c(=O)c(c2)/C=C/C(=O)c1cccs1

STK525684
Synonyms: ethyl6- amino- 5- cyano- 2- {[(3- cyano- 6- methyl- 5,6,7,8- tetrahydro- 1,6- naphthyridin- 2- yl)sulfanyl]methyl}- 4- [2- (trifluoromethyl)phenyl]- 4H- pyran- 3- carboxylate
Smiles: CCOC(=O)C1=C(CSc2nc3CCN(Cc3cc2C#N)C)OC(=C(C1c1ccccc1C(F)(F)F)C#N)N

STK525685
Synonyms: 1- (butylsulfanyl)- 4- (2- methylphenyl)- 4H- spiro[benzo[h][1,2,4]triazolo[4,3- a]quinazoline- 6,1'- cyclohexan]- 5(7H)- one
Smiles: CCCCSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2c1ccccc1C)CCCCC3

STK525687
Synonyms: 4- {[(2- methoxyphenyl)carbonyl]amino}butanoicacid
Smiles: COc1ccccc1C(=O)NCCCC(=O)O

STK525688
Synonyms: 1- (butylamino)- 7- methyl- 3- (morpholin- 4- yl)- 5,6,7,8- tetrahydro- 2,7- naphthyridine- 4- carbonitrile
Smiles: CCCCNc1nc(N2CCOCC2)c(c2c1CN(C)CC2)C#N

STK525689
Synonyms: 9- amino- 5- ethyl- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinolin- 8(9H)- one
Smiles: CCc1nc2sc3c(c2c2c1CCCC2)ncn(c3=O)N

STK525690
Synonyms: (5E)- 5- (1,3- benzodioxol- 5- ylmethylidene)- 3- (4- methoxyphenyl)- 2- phenyl- 3,5- dihydro- 4H- imidazol- 4- one
Smiles: COc1ccc(cc1)N1C(=O)/C(=C\c2ccc3c(c2)OCO3)/N=C1c1ccccc1

STK525691
Synonyms: 6,6- dimethyl- 3- (2- methylpropyl)- 2- (methylsulfanyl)- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: CSc1nc2sc3c(c2c(=O)n1CC(C)C)CC(OC3)(C)C

STK525692
Synonyms: 5- (2,6- dichloro- 4- nitrophenyl)furan- 2- carboxylicacid
Smiles: Clc1cc(cc(c1c1ccc(o1)C(=O)O)Cl)[N+](=O)[O-]

STK525693
Synonyms: 2,6- bis(5- bromo- 2- hydroxyphenyl)- 3,5- dimethylpiperidin- 4- one
Smiles: CC1C(=O)C(C)C(NC1c1cc(Br)ccc1O)c1cc(Br)ccc1O

STK525695
Synonyms: N- {(2E)- 3- (2- fluorophenyl)- 2- [(phenylcarbonyl)amino]prop- 2- enoyl}glycine
Smiles: OC(=O)CNC(=O)/C(=C\c1ccccc1F)/NC(=O)c1ccccc1

STK525697
Synonyms: 8- (benzylsulfanyl)- 2,2- dimethyl- 5- (morpholin- 4- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidine
Smiles: CC1(C)OCc2c(C1)c1c(nc2N2CCOCC2)sc2c1ncnc2SCc1ccccc1

STK525698
Synonyms: 2- {(E)- [(Z)- [2- (1- benzyl- 1H- benzimidazol- 2- yl)hydrazinylidene](phenyl)methyl]diazenyl}phenol
Smiles: Oc1ccccc1/N=N/C(=N\Nc1nc2c(n1Cc1ccccc1)cccc2)/c1ccccc1

STK525700
Synonyms: 4- (4- tert- butylphenyl)- 2- [(4- methoxybenzyl)sulfanyl]- 6- phenylpyridine- 3- carbonitrile
Smiles: COc1ccc(cc1)CSc1nc(cc(c1C#N)c1ccc(cc1)C(C)(C)C)c1ccccc1

STK525701
Synonyms: 2- {[2- (4- chlorophenyl)- 2- oxoethyl]sulfanyl}- 6- ethyl- 3- phenylthieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: CCc1sc2c(c1)c(=O)n(c(n2)SCC(=O)c1ccc(cc1)Cl)c1ccccc1

STK525704
Synonyms: 2- {[2- (4- chlorophenyl)- 2- oxoethyl]sulfanyl}- 7- methyl- 3- (4- methylphenyl)- 5,6,7,8- tetrahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: CN1CCc2c(C1)sc1c2c(=O)n(c(n1)SCC(=O)c1ccc(cc1)Cl)c1ccc(cc1)C

STK525705
Synonyms: 1- [(3- methylbutyl)sulfanyl]- 4- phenyl- 7,8- dihydro- 6H- cyclopenta[4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: CC(CCSc1nnc2n1c1sc3c(c1c(=O)n2c1ccccc1)CCC3)C

STK525706
Synonyms: 2- [(3,3- dimethyl- 2- oxobutyl)sulfanyl]- 4- (4- fluorophenyl)- 6- phenylpyridine- 3- carbonitrile
Smiles: N#Cc1c(SCC(=O)C(C)(C)C)nc(cc1c1ccc(cc1)F)c1ccccc1

STK525707
Synonyms: (8S,8aS)- 6- amino- 8- (3- methylthiophen- 2- yl)- 2- (propan- 2- yl)- 2,3,8,8a- tetrahydroisoquinoline- 5,7,7(1H)- tricarbonitrile
Smiles: N#CC1=C(N)C([C@H]([C@H]2C1=CCN(C2)C(C)C)c1sccc1C)(C#N)C#N

STK525708
Synonyms: (5Z)- 1- (2,5- dimethoxyphenyl)- 5- [(1- methyl- 1H- indol- 3- yl)methylidene]pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: COc1ccc(cc1N1C(=O)NC(=O)/C(=C/c2cn(c3c2cccc3)C)/C1=O)OC

STK525712
Synonyms: 4- ({(2E)- 3- (3- nitrophenyl)- 2- [(phenylcarbonyl)amino]prop- 2- enoyl}amino)butanoicacid
Smiles: OC(=O)CCCNC(=O)/C(=C\c1cccc(c1)[N+](=O)[O-])/NC(=O)c1ccccc1

STK525713
Synonyms: 1- [2- hydroxy- 3- (phenylamino)propyl]guanidine
Smiles: OC(CNC(=N)N)CNc1ccccc1

STK525714
Synonyms: 2- {(E)- [2- (5- methyl- 5H- [1,2,4]triazino[5,6- b]indol- 3- yl)hydrazinylidene]methyl}- 4- nitrophenol
Smiles: Oc1ccc(cc1/C=N/Nc1nnc2c(n1)n(C)c1c2cccc1)[N+](=O)[O-]

STK525717
Synonyms: 3- benzyl- 7- tert- butyl- 2- (butylsulfanyl)- 5,6,7,8- tetrahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: CCCCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCN(C3)C(C)(C)C

STK525718
Synonyms: 1- [(4- bromobenzyl)sulfanyl]- 4- (2- methylphenyl)- 4H- spiro[benzo[h][1,2,4]triazolo[4,3- a]quinazoline- 6,1'- cyclohexan]- 5(7H)- one
Smiles: Brc1ccc(cc1)CSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2c1ccccc1C)CCCCC3

STK525719
Synonyms: 8- (furan- 2- yl)- 6- [4- (furan- 2- ylcarbonyl)piperazin- 1- yl]- 3,3- dimethyl- 3,4- dihydro- 1H- thiopyrano[3,4- c]pyridine- 5- carbonitrile
Smiles: N#Cc1c(nc(c2c1CC(C)(C)SC2)c1ccco1)N1CCN(CC1)C(=O)c1ccco1

STK525720
Synonyms: 1- (hexylsulfanyl)- 4- (4- methoxyphenyl)- 4H- spiro[benzo[h][1,2,4]triazolo[4,3- a]quinazoline- 6,1'- cyclohexan]- 5(7H)- one
Smiles: CCCCCCSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2c1ccc(cc1)OC)CCCCC3

STK525721
Synonyms: (4E)- 4- [(2E)- 3- phenylprop- 2- en- 1- ylidene]- 1H- isochromene- 1,3(4H)- dione
Smiles: O=C1OC(=O)c2c(/C/1=C\C=C\c1ccccc1)cccc2

STK525727
Synonyms: (1E)- N- hydroxy- 1- (pyridin- 2- yl)heptadecan- 1- imine
Smiles: CCCCCCCCCCCCCCCC/C(=N\O)/c1ccccn1

STK525728
Synonyms: N- (cyanomethyl)- 2- (3',3'- dimethylspiro[benzo[f]chromene- 3,2'- indol]- 1'(3'H)- yl)acetamide
Smiles: N#CCNC(=O)CN1c2ccccc2C(C21C=Cc1c(O2)ccc2c1cccc2)(C)C

STK525729
Synonyms: 3- benzyl- 6,6- dimethyl- 2- [(2- oxo- 2- phenylethyl)sulfanyl]- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: O=C(c1ccccc1)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC(OC3)(C)C

STK525730
Synonyms: (6aS,8R,9R)- 8- (2,4- dimethylphenyl)- 9- (phenylcarbonyl)- 8,9- dihydropyrrolo[1,2- a][1,5]naphthyridine- 7,7(6aH)- dicarbonitrile
Smiles: N#CC1(C#N)[C@@H](c2ccc(cc2C)C)[C@@H](N2[C@H]1C=Cc1c2cccn1)C(=O)c1ccccc1

STK525737
Synonyms: 1,1'- ethane- 1,2- diyldicyclopropanol
Smiles: OC1(CCC2(O)CC2)CC1

STK525738
Synonyms: N- [3- chloro- 4- (2- methylpropoxy)benzyl]imidodicarbonimidicdiamide
Smiles: CC(COc1ccc(cc1Cl)CNC(=N)NC(=N)N)C

STK525739
Synonyms: 2- (heptylsulfanyl)- 6,6- dimethyl- 3- (2- methylpropyl)- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: CCCCCCCSc1nc2sc3c(c2c(=O)n1CC(C)C)CC(OC3)(C)C

STK525740
Synonyms: pentyl6- [(5E)- 4- oxo- 5- {4- oxo- 3- [6- oxo- 6- (pentyloxy)hexyl]- 2- thioxo- 1,3- thiazolidin- 5- ylidene}- 2- thioxo- 1,3- thiazolidin- 3- yl]hexanoate
Smiles: CCCCCOC(=O)CCCCCN1C(=S)S/C(=C\2/SC(=S)N(C2=O)CCCCCC(=O)OCCCCC)/C1=O

STK525742
Synonyms: 2- (dimethylamino)- 5- methyl- 1- (4- nitrophenyl)- 4- (2- oxo- 2- phenylethyl)- 4,5- dihydro- 1H- pyrido[3,2- b]indole- 3- carbonitrile
Smiles: N#CC1=C(N(C)C)N(c2ccc(cc2)[N+](=O)[O-])c2c(C1CC(=O)c1ccccc1)n(C)c1c2cccc1

STK525744
Synonyms: 5- [4- (benzyloxy)phenyl]- 2,3,5,6- tetrahydrobenzo[a]phenanthridin- 4(1H)- one
Smiles: O=C1CCCC2=C1C(Nc1c2c2ccccc2cc1)c1ccc(cc1)OCc1ccccc1

STK525745
Synonyms: 1- (heptylsulfanyl)- 4- (4- methoxyphenyl)- 7,8,9,10- tetrahydro- 6H- cyclohepta[4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: CCCCCCCSc1nnc2n1c1sc3c(c1c(=O)n2c1ccc(cc1)OC)CCCCC3

STK525748
Synonyms: 5- bromo- 2- (5,7- dimethyl- 1,3- diazatricyclo[3.3.1.1~3,7~]dec- 2- yl)phenol
Smiles: Brc1ccc(c(c1)O)C1N2CC3(CN1CC(C2)(C3)C)C

STK525750
Synonyms: N- [(1Z)- 3- oxo- 3- (phenylamino)- 1- (pyridin- 3- yl)prop- 1- en- 2- yl]benzamide
Smiles: O=C(/C(=C/c1cccnc1)/NC(=O)c1ccccc1)Nc1ccccc1

STK525751
Synonyms: 3- [(3- methylbutyl)amino]- 1- phenyl- 5,6,7,8- tetrahydroisoquinoline- 4- carbonitrile
Smiles: N#Cc1c(NCCC(C)C)nc(c2c1CCCC2)c1ccccc1

STK525754
Synonyms: 1,1,1- trichloro- 4- (2,4- dichlorophenyl)- 4- oxobutan- 2- yl(3,4- dichlorophenyl)carbamate
Smiles: O=C(OC(C(Cl)(Cl)Cl)CC(=O)c1ccc(cc1Cl)Cl)Nc1ccc(c(c1)Cl)Cl

STK525756
Synonyms: 1- {[2- (4- bromophenyl)- 2- oxoethyl]sulfanyl}- 4- phenyl- 4H- spiro[benzo[h][1,2,4]triazolo[4,3- a]quinazoline- 6,1'- cyclohexan]- 5(7H)- one
Smiles: Brc1ccc(cc1)C(=O)CSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2c1ccccc1)CCCCC3

STK525757
Synonyms: (5Z)- 1- butyl- 5- [(1- methyl- 1H- indol- 3- yl)methylidene]pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCCCN1C(=O)NC(=O)/C(=C/c2cn(c3c2cccc3)C)/C1=O

STK525759
Synonyms: propan- 2- yl(2E)- 3- (furan- 2- yl)prop- 2- enoate
Smiles: CC(OC(=O)/C=C/c1ccco1)C

STK525760
Synonyms: diphenyl{[3- (nonyloxy)phenyl](phenylamino)methyl}phosphonate
Smiles: CCCCCCCCCOc1cccc(c1)C(P(=O)(Oc1ccccc1)Oc1ccccc1)Nc1ccccc1

STK525766
Synonyms: 2- hydrazinyl- 3- (4- methylphenyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: NNc1nc2c3ccccc3CC3(c2c(=O)n1c1ccc(cc1)C)CCCCC3

STK525767
Synonyms: N- (1,3- benzothiazol- 2- yl)- 2- [(3- cyano- 6- methyl- 4- phenyl- 5,6,7,8- tetrahydro- 1,6- naphthyridin- 2- yl)sulfanyl]acetamide
Smiles: N#Cc1c(SCC(=O)Nc2nc3c(s2)cccc3)nc2c(c1c1ccccc1)CN(CC2)C

STK525769
Synonyms: ethyl4- (4- bromophenyl)- 2- {[(2E)- 2- cyano- 3- (4- methoxyphenyl)prop- 2- enoyl]amino}thiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(scc1c1ccc(cc1)Br)NC(=O)/C(=C/c1ccc(cc1)OC)/C#N

STK525770
Synonyms: ethyl6- amino- 4- (4- chlorophenyl)- 5- cyano- 2- {[(5- cyano- 2,4'- bipyridin- 6- yl)sulfanyl]methyl}- 4H- pyran- 3- carboxylate
Smiles: CCOC(=O)C1=C(CSc2nc(ccc2C#N)c2ccncc2)OC(=C(C1c1ccc(cc1)Cl)C#N)N

STK525771
Synonyms: 4- ({[3- cyano- 6- (thiophen- 2- yl)- 4- (trifluoromethyl)pyridin- 2- yl]sulfanyl}methyl)benzoicacid
Smiles: N#Cc1c(SCc2ccc(cc2)C(=O)O)nc(cc1C(F)(F)F)c1cccs1

STK525772
Synonyms: 5- [4- (dodecyloxy)- 3- methoxyphenyl]- 10,15,20- tri(pyridin- 3- yl)porphyrin
Smiles: CCCCCCCCCCCCOc1ccc(cc1OC)/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4[nH]c(/C(=C/5\N=C1C=C5)/c1cccnc1)cc4)/c1cccnc1)/C=C3)\c1cccnc1)/[nH]2

STK525774
Synonyms: 4- (4- bromophenyl)- 2- {[2- oxo- 2- (thiophen- 2- yl)ethyl]sulfanyl}- 6- (thiophen- 2- yl)pyridine- 3- carbonitrile
Smiles: N#Cc1c(SCC(=O)c2cccs2)nc(cc1c1ccc(cc1)Br)c1cccs1

STK525775
Synonyms: 1- (hexylsulfanyl)- 4- (4- methoxyphenyl)- 7,8,9,10- tetrahydro- 6H- cyclohepta[4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: CCCCCCSc1nnc2n1c1sc3c(c1c(=O)n2c1ccc(cc1)OC)CCCCC3

STK525776
Synonyms: 4,7- di- tert- butyl- 2,2,2- triphenyl- 1,3,2lambda~5~- benzodioxaphosphole
Smiles: CC(c1ccc(c2c1OP(O2)(c1ccccc1)(c1ccccc1)c1ccccc1)C(C)(C)C)(C)C

STK525777
Synonyms: 4- bromo- 2- [(E)- (2- {[(pyridin- 4- ylcarbonyl)amino]acetyl}hydrazinylidene)methyl]phenyl(2E)- 3- (furan- 2- yl)prop- 2- enoate(non- preferredname)
Smiles: O=C(CNC(=O)c1ccncc1)N/N=C/c1cc(Br)ccc1OC(=O)/C=C/c1ccco1

STK525778
Synonyms: 6- (4- propoxybenzyl)- 1,3,5- triazine- 2,4- diamine
Smiles: CCCOc1ccc(cc1)Cc1nc(N)nc(n1)N

STK525779
Synonyms: 2- (4- {2- [(2- bromophenyl)carbonyl]hydrazinyl}- 4- oxobutan- 2- yl)hexanoicacid
Smiles: CCCCC(C(CC(=O)NNC(=O)c1ccccc1Br)C)C(=O)O

STK525780
Synonyms: 9- sulfanyl- 5H- spiro[benzo[h][1,2,4]triazolo[3,4- b]quinazoline- 6,1'- cyclopentan]- 7(12H)- one
Smiles: Sc1nnc2n1c(=O)c1c([nH]2)c2ccccc2CC21CCCC2

STK525782
Synonyms: (5Z)- 5- (4- chlorobenzylidene)- 3- (4- methoxyphenyl)- 2- phenyl- 3,5- dihydro- 4H- imidazol- 4- one
Smiles: COc1ccc(cc1)N1C(=O)/C(=C/c2ccc(cc2)Cl)/N=C1c1ccccc1

STK525784
Synonyms: [3- amino- 4- (4- methoxyphenyl)- 6- phenylthieno[2,3- b]pyridin- 2- yl](4- chlorophenyl)methanone
Smiles: COc1ccc(cc1)c1cc(nc2c1c(N)c(s2)C(=O)c1ccc(cc1)Cl)c1ccccc1

STK525786
Synonyms: 2- amino- 4- (biphenyl- 4- yl)- 7,7- dimethyl- 5- oxo- 1,4,5,6,7,8- hexahydroquinoline- 3- carbonitrile
Smiles: N#CC1=C(N)NC2=C(C1c1ccc(cc1)c1ccccc1)C(=O)CC(C2)(C)C

STK525788
Synonyms: 8- chloro- 2,2- dimethyl- 5- (morpholin- 4- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidine
Smiles: Clc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1

STK525790
Synonyms: 2- {[3- cyano- 4- (3,4- dimethoxyphenyl)- 6- (thiophen- 2- yl)pyridin- 2- yl]sulfanyl}- N,N- diethylacetamide
Smiles: CCN(C(=O)CSc1nc(cc(c1C#N)c1ccc(c(c1)OC)OC)c1cccs1)CC

STK525792
Synonyms: ethyl5- (acetyloxy)- 1- methyl- 2- (morpholin- 4- ylmethyl)- 6,8- diphenyl- 1,6- dihydropyrrolo[2,3- e]indazole- 3- carboxylate
Smiles: CCOC(=O)c1c(CN2CCOCC2)n(c2c1cc(OC(=O)C)c1c2c(nn1c1ccccc1)c1ccccc1)C

STK525794
Synonyms: 4- benzyl- 1- (butylsulfanyl)- 4H- spiro[benzo[h][1,2,4]triazolo[4,3- a]quinazoline- 6,1'- cyclohexan]- 5(7H)- one
Smiles: CCCCSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2Cc1ccccc1)CCCCC3

STK525795
Synonyms: 2- (hexylsulfanyl)- 6- hydroxy- 1- (prop- 2- en- 1- yl)pyrimidin- 4(1H)- one
Smiles: CCCCCCSc1nc(=O)cc(n1CC=C)O

STK525796
Synonyms: (2E)- 1- (3,5- dinitrophenyl)- 2- [(3,4,5- trichlorothiophen- 2- yl)methylidene]hydrazine
Smiles: Clc1c(Cl)sc(c1Cl)/C=N/Nc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]

STK525797
Synonyms: 1- {[2- (4- chlorophenyl)- 2- oxoethyl]sulfanyl}- 4- cyclohexyl- 6,7,8,9- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: Clc1ccc(cc1)C(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2C1CCCCC1)CCCC3

STK525798
Synonyms: 1- {[2- (4- chlorophenyl)- 2- oxoethyl]sulfanyl}- 4- methyl- 6,7,8,9- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: Clc1ccc(cc1)C(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2C)CCCC3

STK525801
Synonyms: 2,7- bis[(dimethylamino)methyl]- 1,8- bis(4- methoxyphenyl)octane- 1,8- dione
Smiles: COc1ccc(cc1)C(=O)C(CN(C)C)CCCCC(C(=O)c1ccc(cc1)OC)CN(C)C

STK525802
Synonyms: propan- 2- yl{[5- cyano- 3,3- dimethyl- 8- (morpholin- 4- yl)- 3,4- dihydro- 1H- pyrano[3,4- c]pyridin- 6- yl]sulfanyl}acetate
Smiles: N#Cc1c(SCC(=O)OC(C)C)nc(c2c1CC(C)(C)OC2)N1CCOCC1

STK525804
Synonyms: 5,5- diethyl- 2- hydrazinyl- 5,6- dihydrobenzo[h]quinazolin- 4(3H)- one
Smiles: CCC1(CC)Cc2ccccc2c2c1c(=O)[nH]c(n2)NN

STK525805
Synonyms: 6- ethyl- 2- methyl- 3- (naphthalen- 2- yloxy)- 4- oxo- 4H- chromen- 7- ylN- (tert- butoxycarbonyl)glycinate
Smiles: CCc1cc2c(cc1OC(=O)CNC(=O)OC(C)(C)C)oc(c(c2=O)Oc1ccc2c(c1)cccc2)C

STK525806
Synonyms: 4- (2,4- dichlorophenyl)- 2- phenyl- 1,4- dihydropyrimido[1,2- a]benzimidazole
Smiles: Clc1ccc(c(c1)Cl)C1C=C(Nc2n1c1ccccc1n2)c1ccccc1

STK525808
Synonyms: 6- [(4- fluorobenzyl)sulfanyl]- 3,3- dimethyl- 8- (morpholin- 4- yl)- 3,4- dihydro- 1H- pyrano[3,4- c]pyridine- 5- carbonitrile
Smiles: N#Cc1c(SCc2ccc(cc2)F)nc(c2c1CC(C)(C)OC2)N1CCOCC1

STK525809
Synonyms: 2- (3- butyl- 4- oxo- 3,4- dihydrophthalazin- 1- yl)- N- [2- (diethylamino)ethyl]acetamide
Smiles: CCCCn1nc(CC(=O)NCCN(CC)CC)c2c(c1=O)cccc2

STK525810
Synonyms: 2- [(2- pentyl- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4- yl)amino]ethanol
Smiles: CCCCCc1nc(NCCO)c2c(n1)sc1c2CCCC1

STK525811
Synonyms: 1- (3,4- dichlorobenzyl)- 3,7- dimethyl- 8- [(4- methylphenyl)amino]- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Cc1ccc(cc1)Nc1nc2c(n1C)c(=O)n(c(=O)n2C)Cc1ccc(c(c1)Cl)Cl

STK525812
Synonyms: 1- [3- amino- 7- tert- butyl- 4- (thiophen- 2- yl)- 5,6,7,8- tetrahydrothieno[2,3- b]quinolin- 2- yl]- 2,2- dimethylpropan- 1- one
Smiles: Nc1c2c(sc1C(=O)C(C)(C)C)nc1c(c2c2cccs2)CCC(C1)C(C)(C)C

STK525813
Synonyms: methylN- [(2- amino- 5- bromophenyl)(2- chlorophenyl)methyl]glycinate
Smiles: COC(=O)CNC(c1ccccc1Cl)c1cc(Br)ccc1N

STK525814
Synonyms: (5Z)- 1- benzyl- 5- {3- [(1,3- dioxo- 1,3- dihydro- 2H- isoindol- 2- yl)methyl]- 4- methoxybenzylidene}pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: COc1ccc(cc1CN1C(=O)c2c(C1=O)cccc2)/C=C\1/C(=O)NC(=O)N(C1=O)Cc1ccccc1

STK525816
Synonyms: 3- cyclohexyl- 7- methyl- 2- sulfanyl- 5,6,7,8- tetrahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: CN1CCc2c(C1)sc1c2c(=O)n(c(n1)S)C1CCCCC1

STK525822
Synonyms: N- (1,3- benzothiazol- 2- yl)- 2- {[3- cyano- 6- (thiophen- 2- yl)pyridin- 2- yl]sulfanyl}acetamide
Smiles: N#Cc1ccc(nc1SCC(=O)Nc1nc2c(s1)cccc2)c1cccs1

STK525824
Synonyms: 2- [(4- amino- 7- propyl- 5,6,7,8- tetrahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl)sulfanyl]- 1- phenylethanone
Smiles: CCCN1CCc2c(C1)sc1c2c(N)nc(n1)SCC(=O)c1ccccc1

STK525825
Synonyms: 2- [4- (4- methoxyphenyl)- 1,2,5- trimethylpiperidin- 4- yl]ethanamine
Smiles: NCCC1(CC(C)N(CC1C)C)c1ccc(cc1)OC

STK525826
Synonyms: (8R,8aS)- 6- amino- 2- (propan- 2- yl)- 8- (pyridin- 3- yl)- 2,3,8,8a- tetrahydroisoquinoline- 5,7,7(1H)- tricarbonitrile
Smiles: N#CC1=C(N)C([C@H]([C@H]2C1=CCN(C2)C(C)C)c1cccnc1)(C#N)C#N

STK525828
Synonyms: pentyl3- [(5E)- 4- oxo- 5- {4- oxo- 3- [3- oxo- 3- (pentyloxy)propyl]- 2- thioxo- 1,3- thiazolidin- 5- ylidene}- 2- thioxo- 1,3- thiazolidin- 3- yl]propanoate
Smiles: CCCCCOC(=O)CCN1C(=S)S/C(=C\2/SC(=S)N(C2=O)CCC(=O)OCCCCC)/C1=O

STK525829
Synonyms: 2- (diethylamino)ethyl4- hydroxy- 3- methoxybenzoate
Smiles: CCN(CCOC(=O)c1ccc(c(c1)OC)O)CC

STK525830
Synonyms: 8- ethyl- 3,3- dimethyl- 6- (piperidin- 1- yl)- 3,4- dihydro- 1H- thiopyrano[3,4- c]pyridine- 5- carbonitrile
Smiles: N#Cc1c(nc(c2c1CC(C)(C)SC2)CC)N1CCCCC1

STK525831
Synonyms: 8- ethyl- 3,3- dimethyl- 6- oxo- 3,4,6,7- tetrahydro- 1H- thiopyrano[3,4- c]pyridine- 5- carbonitrile
Smiles: CCc1[nH]c(=O)c(c2c1CSC(C2)(C)C)C#N

STK525832
Synonyms: 5- ethyl- 8- (propan- 2- ylsulfanyl)- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinoline
Smiles: CCc1nc2sc3c(c2c2c1CCCC2)ncnc3SC(C)C

STK525834
Synonyms: 1- phenyl- 3- (quinolin- 2- yl)benzo[f]quinoline
Smiles: c1ccc(cc1)c1cc(nc2c1c1ccccc1cc2)c1ccc2c(n1)cccc2

STK525835
Synonyms: 2,8,12,18- tetrabutyl- 5,15- diethyl- 3,7,13,17- tetramethylporphyrin
Smiles: CCCCC1=C(C)/C/2=C(\CC)/c3[nH]c(c(c3C)CCCC)/C=C/3\N=C(/C(=c/4\[nH]/c(=C\C1=N2)/c(CCCC)c4C)/CC)C(=C3CCCC)C

STK525837
Synonyms: 3- benzyl- 2- {[2- (4- chlorophenyl)- 2- oxoethyl]sulfanyl}- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: Clc1ccc(cc1)C(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccccc1)CCCCC3

STK525838
Synonyms: 4- [2- ({(E)- [4- (dimethylamino)phenyl]methylidene}amino)ethyl]- 2,2- dimethyltetrahydro- 2H- pyran- 4- ol
Smiles: CN(c1ccc(cc1)/C=N/CCC1(O)CCOC(C1)(C)C)C

STK525839
Synonyms: ethyl5,5- dimethyl- 2- [(phenylacetyl)amino]- 4,7- dihydro- 5H- thieno[2,3- c]thiopyran- 3- carboxylate
Smiles: CCOC(=O)c1c(NC(=O)Cc2ccccc2)sc2c1CC(C)(C)SC2

STK525840
Synonyms: 1- (4- fluorophenyl)- 4- (8- fluoro- 1,3,4,5- tetrahydro- 2H- pyrido[4,3- b]indol- 2- yl)butan- 1- one
Smiles: Fc1ccc(cc1)C(=O)CCCN1CCc2c(C1)c1cc(F)ccc1[nH]2

STK525841
Synonyms: 2,2- dimethyl- N- pentyl- 5- phenyl- 2,3- dihydro- 1H- pyrano[3'',2'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- amine
Smiles: CCCCCNc1ncnc2c1sc1c2c2CC(C)(C)COc2c(n1)c1ccccc1

STK525843
Synonyms: N- [(1E)- 3- (benzylamino)- 1- (1,3- diphenyl- 1H- pyrazol- 4- yl)- 3- oxoprop- 1- en- 2- yl]- 2,4- dichlorobenzamide
Smiles: Clc1ccc(c(c1)Cl)C(=O)N/C(=C/c1cn(nc1c1ccccc1)c1ccccc1)/C(=O)NCc1ccccc1

STK525844
Synonyms: 5- methoxy- N,N- dimethyl- 5,5- diphenylpent- 3- yn- 1- amine
Smiles: COC(c1ccccc1)(c1ccccc1)C#CCCN(C)C

STK525845
Synonyms: N'- {(E)- [4- (dimethylamino)phenyl]methylidene}- 1- methyl- 2,6- dioxo- 1,2,3,6- tetrahydropyrimidine- 4- carbohydrazide
Smiles: CN(c1ccc(cc1)/C=N/NC(=O)c1cc(=O)n(c(=O)[nH]1)C)C

STK525846
Synonyms: 3- cyclohexyl- 1- {5,5- dimethyl- 3- [(naphthalen- 1- ylcarbamoyl)amino]- 2- thioxo- 1,3- thiazolidin- 4- yl}- 1- hydroxyurea(non- preferredname)
Smiles: O=C(Nc1cccc2c1cccc2)NN1C(=S)SC(C1N(C(=O)NC1CCCCC1)O)(C)C

STK369875
Synonyms:
Smiles: O=C(OC1=C=CC2C(=C1)OC(=C(C2=O)Oc1ccccc1)C)CNC(=O)OC(C)(C)C

STK369558
Synonyms:
Smiles: S=C(Nc1ccc(cc1)[C](=O)(=O)N)NC(C(Cl)(Cl)Cl)NC(=O)C(C)(C)C

STK525364
Synonyms: methyl4- [(8S,8aR)- 6- amino- 5,7,7- tricyano- 2- propyl- 1,2,3,7,8,8a- hexahydroisoquinolin- 8- yl]benzoate
Smiles: CCCN1CC=C2[C@H](C1)[C@@H](c1ccc(cc1)C(=O)OC)C(C(=C2C#N)N)(C#N)C#N

STK525763
Synonyms: 6- amino- 4- {4- methoxy- 3- [(3- methoxyphenoxy)methyl]phenyl}- 3- phenyl- 1,4- dihydropyrano[2,3- c]pyrazole- 5- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccc(c(c1)COc1cccc(c1)OC)OC)c(n[nH]2)c1ccccc1

STK526536
Synonyms: 2- amino- 4- {3- [(3,5- dimethyl- 4- nitro- 1H- pyrazol- 1- yl)methyl]- 4- methoxyphenyl}- 4a,5,6,7- tetrahydronaphthalene- 1,3,3(4H)- tricarbonitrile
Smiles: N#CC1=C(N)C(C(C2C1=CCCC2)c1ccc(c(c1)Cn1nc(c(c1C)[N+](=O)[O-])C)OC)(C#N)C#N

STK526664
Synonyms: 2- {4- [(8S,8aR)- 6- amino- 5,7,7- tricyano- 2- methyl- 1,2,3,7,8,8a- hexahydroisoquinolin- 8- yl]phenoxy}acetamide
Smiles: N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C)c1ccc(cc1)OCC(=O)N)(C#N)C#N

STK533919
Synonyms: (5E)- 1- (2- fluorophenyl)- 5- (4- hydroxybenzylidene)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: Oc1ccc(cc1)/C=C/1\C(=O)NC(=O)N(C1=O)c1ccccc1F

STK833048
Synonyms: N- (2- {(2E)- 2- [(2- ethoxynaphthalen- 1- yl)methylidene]hydrazinyl}- 2- oxoethyl)pyridine- 3- carboxamide(non- preferredname)
Smiles: CCOc1ccc2c(c1/C=N/NC(=O)CNC(=O)c1cccnc1)cccc2

STL005353
Synonyms: 6- amino- 1,4- bis(3- chlorophenyl)- 3- methyl- 1,4- dihydropyrano[2,3- c]pyrazole- 5- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1cccc(c1)Cl)c(C)nn2c1cccc(c1)Cl

STK649993
Synonyms: 2- methoxyethyl2- amino- 4- (2- chlorophenyl)- 5- hydroxy- 4H- pyrano[3,2- c]quinoline- 3- carboxylate
Smiles: COCCOC(=O)C1=C(N)Oc2c(C1c1ccccc1Cl)c(O)nc1c2cccc1

STL045954
Synonyms: (4E)- 5- (3- chlorophenyl)- 4- [hydroxy(2- methyl- 2,3- dihydro- 1- benzofuran- 5- yl)methylidene]- 1- (2- methoxyethyl)pyrrolidine- 2,3- dione
Smiles: COCCN1C(c2cccc(c2)Cl)/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C1=O

STK835424
Synonyms: N- {4- [4- (morpholin- 4- ylsulfonyl)phenyl]- 1,3- thiazol- 2- yl}benzamide
Smiles: O=C(c1ccccc1)Nc1scc(n1)c1ccc(cc1)S(=O)(=O)N1CCOCC1

STK525848
Synonyms: N,3- bis(2,4- dichlorobenzyl)- N- (furan- 2- ylmethyl)- 3H- purin- 6- amine
Smiles: Clc1ccc(c(c1)Cl)CN(c1ncn(c2c1ncn2)Cc1ccc(cc1Cl)Cl)Cc1ccco1

STK525850
Synonyms: (2E)- 1- (2,4- dibromophenyl)- 2- (hydroxyimino)- 2- (1H- 1,2,4- triazol- 1- yl)ethanone
Smiles: O/N=C(\C(=O)c1ccc(cc1Br)Br)/n1cncn1

STK525851
Synonyms: N- [(1E)- 3- [(4- methylphenyl)amino]- 1- (3- nitrophenyl)- 3- oxoprop- 1- en- 2- yl]benzamide
Smiles: Cc1ccc(cc1)NC(=O)/C(=C\c1cccc(c1)[N+](=O)[O-])/NC(=O)c1ccccc1

STK525853
Synonyms: 2,4- bis(4- ethoxyphenyl)- 6- [(E)- 2- (4- methoxyphenyl)ethenyl]pyridine
Smiles: CCOc1ccc(cc1)c1cc(/C=C/c2ccc(cc2)OC)nc(c1)c1ccc(cc1)OCC

STK525856
Synonyms: 6- (4- fluorophenyl)- 2- {[2- oxo- 2- (thiophen- 2- yl)ethyl]sulfanyl}- 4- phenylpyridine- 3- carbonitrile
Smiles: N#Cc1c(SCC(=O)c2cccs2)nc(cc1c1ccccc1)c1ccc(cc1)F

STK525857
Synonyms: 2- (7- bromo- 3',3'- dimethylspiro[chromene- 2,2'- indol]- 1'(3'H)- yl)- N- (cyanomethyl)acetamide
Smiles: N#CCNC(=O)CN1c2ccccc2C(C21C=Cc1c(O2)cc(cc1)Br)(C)C

STK525858
Synonyms: 2,3,4,5,6,7,8,9- octahydro- 1H- cyclopenta[e]- as- indacene
Smiles: C1Cc2c(C1)c1CCCc1c1c2CCC1

STK525861
Synonyms: (1- amino- 5,8,8- trimethyl- 8,9- dihydro- 6H- furo[2,3- b]pyrano[4,3- d]pyridin- 2- yl)(4- bromophenyl)methanone
Smiles: Brc1ccc(cc1)C(=O)c1oc2c(c1N)c1CC(C)(C)OCc1c(n2)C

STK525862
Synonyms: N- [(E)- {3- [(2,3- dimethylphenoxy)methyl]- 4- methoxyphenyl}methylidene]- 4- methoxyaniline
Smiles: COc1ccc(cc1COc1cccc(c1C)C)/C=N/c1ccc(cc1)OC

STK525865
Synonyms: butyl4- {[4- (dimethylamino)benzyl]amino}benzoate
Smiles: CCCCOC(=O)c1ccc(cc1)NCc1ccc(cc1)N(C)C

STK525866
Synonyms: 5- (hydroxyamino)- 3,4,4- trimethyl- 1- phenylimidazolidin- 2- one
Smiles: ONC1N(c2ccccc2)C(=O)N(C1(C)C)C

STK525868
Synonyms: (5- hydroxy- 4,6- dinitro- 1- benzofuran- 3- yl)(phenyl)methanone
Smiles: [O-][N+](=O)c1c2c(occ2C(=O)c2ccccc2)cc(c1O)[N+](=O)[O-]

STK525869
Synonyms: methyl6- [(4- chlorobenzyl)sulfanyl]- 5- cyano- 2- methyl- 4- (thiophen- 2- yl)- 1,4- dihydropyridine- 3- carboxylate
Smiles: COC(=O)C1=C(C)NC(=C(C1c1cccs1)C#N)SCc1ccc(cc1)Cl

STK525871
Synonyms: 4,4'- carbonimidoylbis(N,N- dimethylaniline)
Smiles: CN(c1ccc(cc1)C(=N)c1ccc(cc1)N(C)C)C

STK525873
Synonyms: ethyl1- amino- 5- ethyl- 8,8- dimethyl- 8,9- dihydro- 6H- thieno[2,3- b]thiopyrano[4,3- d]pyridine- 2- carboxylate
Smiles: CCOC(=O)c1sc2c(c1N)c1CC(C)(C)SCc1c(n2)CC

STK525875
Synonyms: 3- chloro- 7- cyclohexyl- 1- (diethylamino)- 5,6,7,8- tetrahydro- 2,7- naphthyridine- 4- carbonitrile
Smiles: CCN(c1nc(Cl)c(c2c1CN(CC2)C1CCCCC1)C#N)CC

STK525880
Synonyms: 5- ethyl- 2,2- dimethyl- N- (2- phenylethyl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- amine
Smiles: CCc1nc2sc3c(c2c2c1COC(C2)(C)C)ncnc3NCCc1ccccc1

STK525881
Synonyms: 4- (4- nitrophenyl)- 6- (trichloromethyl)- 1,3,2- dioxathiane2,2- dioxide
Smiles: ClC(C1CC(OS(=O)(=O)O1)c1ccc(cc1)[N+](=O)[O-])(Cl)Cl

STK525883
Synonyms: 3- phenyl- 2- [(2- phenylethyl)sulfanyl]- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: O=c1n(c2ccccc2)c(SCCc2ccccc2)nc2c1C1(CCCC1)Cc1c2cccc1

STK525886
Synonyms: 4- [(2- hydroxyethyl)sulfonyl]- 2,6- dinitrophenol
Smiles: OCCS(=O)(=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O

STK525887
Synonyms: 4- (2- methoxyphenyl)- 1- (prop- 2- en- 1- ylsulfanyl)- 4H- spiro[benzo[h][1,2,4]triazolo[4,3- a]quinazoline- 6,1'- cyclohexan]- 5(7H)- one
Smiles: C=CCSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2c1ccccc1OC)CCCCC3

STK525890
Synonyms: 1- (4- chlorobenzyl)- 3,7- dimethyl- 8- [4- (pyridin- 2- yl)piperazin- 1- yl]- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Clc1ccc(cc1)Cn1c(=O)n(C)c2c(c1=O)n(C)c(n2)N1CCN(CC1)c1ccccn1

STK525891
Synonyms: 6- amino- 4- (4- methoxyphenyl)- 3- methyl- 1- (4- methylphenyl)- 1,4- dihydropyrano[2,3- c]pyrazole- 5- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccc(cc1)OC)c(C)nn2c1ccc(cc1)C

STK525893
Synonyms: ethyl2'- oxospiro[1,3- dioxolane- 2,3'- indole]- 1'(2'H)- carboxylate
Smiles: CCOC(=O)N1c2ccccc2C2(C1=O)OCCO2

STK525895
Synonyms: methyl(2E)- 2- cyano- 3- [3- (trifluoromethyl)phenyl]prop- 2- enoate
Smiles: N#C/C(=C\c1cccc(c1)C(F)(F)F)/C(=O)OC

STK525897
Synonyms: 3- chloro- 1- (dipropylamino)- 7- ethyl- 5,6,7,8- tetrahydro- 2,7- naphthyridine- 4- carbonitrile
Smiles: CCCN(c1nc(Cl)c(c2c1CN(CC)CC2)C#N)CCC

STK525898
Synonyms: 3- ethyl- 6,6- dimethyl- 2- (prop- 2- en- 1- ylsulfanyl)- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: C=CCSc1nc2sc3c(c2c(=O)n1CC)CC(OC3)(C)C

STK525899
Synonyms: N- [(1Z)- 3- [(2- hydroxyethyl)amino]- 1- (2- nitrophenyl)- 3- oxoprop- 1- en- 2- yl]benzamide
Smiles: OCCNC(=O)/C(=C/c1ccccc1[N+](=O)[O-])/NC(=O)c1ccccc1

STK525901
Synonyms: (1S,2S,3aR)- 2- (3,5- dimethoxyphenyl)- 1- (tricyclo[3.3.1.1~3,7~]dec- 1- ylcarbonyl)- 1,2- dihydropyrrolo[1,2- a]quinoline- 3,3(3aH)- dicarbonitrile
Smiles: N#CC1(C#N)[C@H](c2cc(OC)cc(c2)OC)[C@H](N2[C@@H]1C=Cc1c2cccc1)C(=O)C12CC3CC(C2)CC(C1)C3

STK525902
Synonyms: 2- (2- methyl- 5- nitro- 1H- imidazol- 1- yl)ethyl{2,2,2- trichloro- 1- [(4- methoxy- 2- nitrophenyl)amino]ethyl}carbamate
Smiles: COc1ccc(c(c1)[N+](=O)[O-])NC(C(Cl)(Cl)Cl)NC(=O)OCCn1c(C)ncc1[N+](=O)[O-]

STK525903
Synonyms: 5- bromo- 2- {[(4- chloro- 3- nitrophenyl)sulfonyl]amino}- N- (4- chlorophenyl)benzamide
Smiles: Brc1ccc(c(c1)C(=O)Nc1ccc(cc1)Cl)NS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])Cl

STK525907
Synonyms: 2,2,10- trimethyl- 5- (morpholin- 4- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8(9H)- one
Smiles: Cc1[nH]c(=O)c2c(n1)c1c(s2)nc(c2c1CC(C)(C)OC2)N1CCOCC1

STK525908
Synonyms: 2- [(2- chlorobenzyl)sulfanyl]- 4- (4- methoxyphenyl)- 6- (thiophen- 2- yl)pyridine- 3- carbonitrile
Smiles: COc1ccc(cc1)c1cc(nc(c1C#N)SCc1ccccc1Cl)c1cccs1

STK525912
Synonyms: (1S,2S,3aR)- 2- (thiophen- 2- yl)- 1- (thiophen- 2- ylcarbonyl)- 1,2- dihydropyrrolo[1,2- a]quinoline- 3,3(3aH)- dicarbonitrile
Smiles: N#CC1(C#N)[C@H](c2cccs2)[C@H](N2[C@@H]1C=Cc1c2cccc1)C(=O)c1cccs1

STK525914
Synonyms: (2Z,4E)- 3- methyl- 5- phenylpenta- 2,4- dienoicacid
Smiles: OC(=O)/C=C(\C=C\c1ccccc1)/C

STK525915
Synonyms: N- tert- butyl- 2- (4- iminoquinolin- 1(4H)- yl)acetamide
Smiles: O=C(NC(C)(C)C)Cn1ccc(=N)c2c1cccc2

STK525917
Synonyms: [3- amino- 4- (4- fluorophenyl)- 6- phenylthieno[2,3- b]pyridin- 2- yl](2,4- dimethoxyphenyl)methanone
Smiles: COc1cc(OC)ccc1C(=O)c1sc2c(c1N)c(cc(n2)c1ccccc1)c1ccc(cc1)F

STK525918
Synonyms: 3- {(1Z)- 3- [(2- hydroxyethyl)amino]- 3- oxo- 2- [(phenylcarbonyl)amino]prop- 1- en- 1- yl}phenylacetate
Smiles: OCCNC(=O)/C(=C/c1cccc(c1)OC(=O)C)/NC(=O)c1ccccc1

STK525919
Synonyms: 1- amino- 3- (3- iodophenyl)- 3,5- dihydropyrido[1,2- a]benzimidazole- 2,4- dicarbonitrile
Smiles: N#CC1=C(N)n2c(=C(C1c1cccc(c1)I)C#N)[nH]c1c2cccc1

STK525920
Synonyms: 3- [(5- ethyl- 2,2- dimethyl- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- yl)amino]propan- 1- ol
Smiles: OCCCNc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)CC

STK525921
Synonyms: 3,3,8- trimethyl- 6- (morpholin- 4- yl)- 3,4- dihydro- 1H- thiopyrano[3,4- c]pyridine- 5- carbonitrile
Smiles: N#Cc1c(nc(c2c1CC(C)(C)SC2)C)N1CCOCC1

STK525923
Synonyms: 2- [(5- ethyl- 2,2- dimethyl- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- yl)amino]ethanol
Smiles: OCCNc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)CC

STK525926
Synonyms: (2R,3R,10bS)- 2- [4- (methylsulfanyl)phenyl]- 3- (tricyclo[3.3.1.1~3,7~]dec- 1- ylcarbonyl)- 2,3- dihydropyrrolo[2,1- a]isoquinoline- 1,1(10bH)- dicarbonitrile
Smiles: N#CC1(C#N)[C@@H](c2ccc(cc2)SC)[C@@H](N2[C@H]1c1ccccc1C=C2)C(=O)C12CC3CC(C2)CC(C1)C3

STK525927
Synonyms: N'- [(2E)- 1- cyclododecylpropan- 2- ylidene]- 2- (2- methyl- 1,3- dioxolan- 2- yl)acetohydrazide
Smiles: O=C(CC1(C)OCCO1)N/N=C(/CC1CCCCCCCCCCC1)\C

STK525928
Synonyms: 7- methyl- 1- (pentylamino)- 3- (piperidin- 1- yl)- 5,6,7,8- tetrahydro- 2,7- naphthyridine- 4- carbonitrile
Smiles: CCCCCNc1nc(N2CCCCC2)c(c2c1CN(C)CC2)C#N

STK525930
Synonyms: 6- methoxy- 2- methyl- N- [4- (4- methylpiperazin- 1- yl)phenyl]quinolin- 4- amine
Smiles: COc1ccc2c(c1)c(Nc1ccc(cc1)N1CCN(CC1)C)cc(n2)C

STK525931
Synonyms: 2- [6- chloro- 4- phenyl- 2- (3,4,5- trimethoxyphenyl)quinazolin- 3(4H)- yl]acetohydrazide
Smiles: NNC(=O)CN1C(=Nc2c(C1c1ccccc1)cc(cc2)Cl)c1cc(OC)c(c(c1)OC)OC

STK525932
Synonyms: ethyl6- amino- 4- (3- bromo- 4- fluorophenyl)- 2- (chloromethyl)- 5- cyano- 4H- pyran- 3- carboxylate
Smiles: CCOC(=O)C1=C(CCl)OC(=C(C1c1ccc(c(c1)Br)F)C#N)N

STK525933
Synonyms: 4- [(E)- (2,4- dihydroxyphenyl)diazenyl]benzenesulfonicacid
Smiles: Oc1ccc(c(c1)O)/N=N/c1ccc(cc1)S(=O)(=O)O

STK525934
Synonyms: 3,5,5- trichloro- 6- hydroxy- 3,4,5,6- tetrahydropyridin- 2- ylacetate
Smiles: ClC1CC(Cl)(Cl)C(N=C1OC(=O)C)O

STK525935
Synonyms: 2- hydrazinyl- 3- (2- phenylethyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: NNc1nc2c3ccccc3CC3(c2c(=O)n1CCc1ccccc1)CCCCC3

STK525937
Synonyms: 7- methyl- 1,3- bis(pentylamino)- 5,6,7,8- tetrahydro- 2,7- naphthyridine- 4- carbonitrile
Smiles: CCCCCNc1nc(NCCCCC)c2c(c1C#N)CCN(C2)C

STK525940
Synonyms: 1- benzyl- 3,5- bis(2- bromoethyl)- 1H- 1,2,4- triazole
Smiles: BrCCc1nc(nn1Cc1ccccc1)CCBr

STK525941
Synonyms: 1- (2- cyanoethyl)- 3- phenyl- 1- [4- (propan- 2- yloxy)benzyl]thiourea
Smiles: N#CCCN(C(=S)Nc1ccccc1)Cc1ccc(cc1)OC(C)C

STK525942
Synonyms: 8- butyl- 3,3- dimethyl- 6- (piperidin- 1- yl)- 3,4- dihydro- 1H- thiopyrano[3,4- c]pyridine- 5- carbonitrile
Smiles: CCCCc1nc(N2CCCCC2)c(c2c1CSC(C2)(C)C)C#N

STK525943
Synonyms: 5- [4- (bromomethyl)phenyl]- 2- phenyl- 1,3- oxazole
Smiles: BrCc1ccc(cc1)c1cnc(o1)c1ccccc1

STK525944
Synonyms: ethyl(2Z)- 2- [(1,3- diphenyl- 1H- pyrazol- 4- yl)methylidene]- 7- methyl- 3- oxo- 5- phenyl- 2,3- dihydro- 5H- [1,3]thiazolo[3,2- a]pyrimidine- 6- carboxylate
Smiles: CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)/c(=C/c1cn(nc1c1ccccc1)c1ccccc1)/s2

STK525945
Synonyms: 1- [(4- bromobenzyl)sulfanyl]- 4- phenyl- 4H- spiro[benzo[h][1,2,4]triazolo[4,3- a]quinazoline- 6,1'- cyclohexan]- 5(7H)- one
Smiles: Brc1ccc(cc1)CSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2c1ccccc1)CCCCC3

STK525946
Synonyms: 2,8,8- trimethyl- 4- (4- methylpiperidin- 1- yl)- 7,10- dihydro- 8H- pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2- d]pyrimidine
Smiles: CC1CCN(CC1)c1nc(C)nc2c1sc1c2cc2c(n1)CC(OC2)(C)C

STK525947
Synonyms: 6- chloro- 3,3- dimethyl- 8- (2- methylpropyl)- 3,4- dihydro- 1H- pyrano[3,4- c]pyridine- 5- carbonitrile
Smiles: N#Cc1c(Cl)nc(c2c1CC(C)(C)OC2)CC(C)C

STK525949
Synonyms: 2,5- bis[(dimethylamino)methyl]- 1,1,6,6- tetraphenylhexane- 1,6- diol
Smiles: CN(CC(C(c1ccccc1)(c1ccccc1)O)CCC(C(c1ccccc1)(c1ccccc1)O)CN(C)C)C

STK525951
Synonyms: (1S,2R,3aR)- 1- acetyl- 2- (2- chlorophenyl)- 1,2- dihydropyrrolo[1,2- a]quinoline- 3,3(3aH)- dicarbonitrile
Smiles: N#CC1(C#N)[C@H]2C=Cc3c(N2[C@@H]([C@H]1c1ccccc1Cl)C(=O)C)cccc3

STK525952
Synonyms: 1- (2- hydroxyethyl)- 2- imino- 8- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carbonitrile
Smiles: OCCn1c2nc3ccc(cn3c(=O)c2cc(c1=N)C#N)C

STK525953
Synonyms: 8- benzyl- 6- chloro- 3,3- dimethyl- 3,4- dihydro- 1H- pyrano[3,4- c]pyridine- 5- carbonitrile
Smiles: N#Cc1c(Cl)nc(c2c1CC(C)(C)OC2)Cc1ccccc1

STK525954
Synonyms: N'- (3- methyl- 4- oxo- 3,4,5,6,7,8- hexahydro[1]benzothieno[2,3- d]pyrimidin- 2- yl)- 1- benzofuran- 2- carbohydrazide
Smiles: O=C(c1cc2c(o1)cccc2)NNc1nc2sc3c(c2c(=O)n1C)CCCC3

STK525955
Synonyms: 1,5- bis(4- ethoxyphenyl)- 2,4- bis(morpholin- 4- ylmethyl)pentane- 1,5- dione
Smiles: CCOc1ccc(cc1)C(=O)C(CN1CCOCC1)CC(C(=O)c1ccc(cc1)OCC)CN1CCOCC1

STK525956
Synonyms: ethyl2- ({[2- (4- ethylpiperazin- 1- yl)- 5- nitrophenyl]carbonyl}amino)- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(NC(=O)c2cc(ccc2N2CCN(CC2)CC)[N+](=O)[O-])sc2c1CCCC2

STK525957
Synonyms: (2S,3R,10bS)- 2- (2- fluorophenyl)- 3- (tricyclo[3.3.1.1~3,7~]dec- 1- ylcarbonyl)- 2,3- dihydropyrrolo[2,1- a]isoquinoline- 1,1(10bH)- dicarbonitrile
Smiles: N#CC1(C#N)[C@@H](c2ccccc2F)[C@@H](N2[C@H]1c1ccccc1C=C2)C(=O)C12CC3CC(C2)CC(C1)C3

STK525958
Synonyms: diethyl[(Z)- cyano({[(3,4- dichlorophenyl)carbamoyl]oxy}imino)methyl]phosphonate
Smiles: CCOP(=O)(/C(=N\OC(=O)Nc1ccc(c(c1)Cl)Cl)/C#N)OCC

STK525959
Synonyms: 8- butoxy- 2,2- dimethyl- 5- phenyl- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidine
Smiles: CCCCOc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)c1ccccc1

STK525960
Synonyms: 2- [(2,5- dimethylphenyl)sulfanyl]- 1H- isoindole- 1,3(2H)- dione
Smiles: Cc1ccc(c(c1)SN1C(=O)c2c(C1=O)cccc2)C

STK525962
Synonyms: 3- (4- fluorophenyl)- 2- methyl- 4- oxo- 4H- chromen- 7- ylN- (tert- butoxycarbonyl)- D- valinate
Smiles: O=C(OC(C)(C)C)N[C@@H](C(=O)Oc1ccc2c(c1)oc(c(c2=O)c1ccc(cc1)F)C)C(C)C

STK525963
Synonyms: (2R,3R,10bS)- 1,1- dicyano- 2- [3- (trifluoromethyl)phenyl]- 1,2,3,10b- tetrahydropyrrolo[2,1- a]isoquinoline- 3- carboxamide
Smiles: N#CC1(C#N)[C@@H](c2cccc(c2)C(F)(F)F)[C@@H](N2[C@H]1c1ccccc1C=C2)C(=O)N

STK525964
Synonyms: 2- {(2Z)- 2- [1- (4- bromophenyl)ethylidene]hydrazinyl}- 6,6- dimethyl- 3- phenyl- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: Brc1ccc(cc1)/C(=N\Nc1nc2sc3c(c2c(=O)n1c1ccccc1)CC(OC3)(C)C)/C

STK525965
Synonyms: 1,1'- {[(4- chlorophenyl)imino]diprop- 1- yne- 3,1- diyl}dicyclohexanol
Smiles: OC1(CCCCC1)C#CCN(c1ccc(cc1)Cl)CC#CC1(O)CCCCC1

STK525966
Synonyms: 1- (2- methyl- 1H- indol- 3- yl)- 2- (1,3- thiazol- 2- ylamino)ethanone
Smiles: O=C(c1c(C)[nH]c2c1cccc2)CNc1nccs1

STK525967
Synonyms: benzylN~2~- [(benzyloxy)carbonyl]asparaginate
Smiles: NC(=O)CC(C(=O)OCc1ccccc1)NC(=O)OCc1ccccc1

STK525968
Synonyms: 4- chloro- 6,7,8,9- tetrahydropyrimido[4,5- b]indolizine- 10- carbonitrile
Smiles: N#Cc1c2ncnc(c2n2c1CCCC2)Cl

STK525971
Synonyms: 3- (benzylamino)- 1- (dipropylamino)- 7- ethyl- 5,6,7,8- tetrahydro- 2,7- naphthyridine- 4- carbonitrile
Smiles: CCCN(c1nc(NCc2ccccc2)c(c2c1CN(CC)CC2)C#N)CCC

STK525972
Synonyms: methyl(2Z)- 2- [(1,3- diphenyl- 1H- pyrazol- 4- yl)methylidene]- 5- (4- methoxyphenyl)- 7- methyl- 3- oxo- 2,3- dihydro- 5H- [1,3]thiazolo[3,2- a]pyrimidine- 6- carboxylate
Smiles: COC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)/c(=C/c1cn(nc1c1ccccc1)c1ccccc1)/s2

STK525976
Synonyms: methyl1- amino- 8,8- dimethyl- 5- (morpholin- 4- yl)- 8,9- dihydro- 6H- thieno[2,3- b]thiopyrano[4,3- d]pyridine- 2- carboxylate
Smiles: COC(=O)c1sc2c(c1N)c1CC(C)(C)SCc1c(n2)N1CCOCC1

STK525979
Synonyms: ethyl5- [2- (dibenzylamino)ethyl]- 6- oxo- 5,6,7,8,9,10- hexahydrocyclohepta[b]indole- 2- carboxylate
Smiles: CCOC(=O)c1ccc2c(c1)c1CCCCC(=O)c1n2CCN(Cc1ccccc1)Cc1ccccc1

STK525980
Synonyms: ethyl6- [(4- chlorobenzyl)sulfanyl]- 5- cyano- 2- methyl- 4- (thiophen- 2- yl)- 1,4- dihydropyridine- 3- carboxylate
Smiles: CCOC(=O)C1=C(C)NC(=C(C1c1cccs1)C#N)SCc1ccc(cc1)Cl

STK525982
Synonyms: 8- methoxy- 2,2- dimethyl- 5- phenyl- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidine
Smiles: COc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)c1ccccc1

STK525983
Synonyms: 2- (prop- 2- en- 1- ylsulfanyl)- 6,7,8,9- tetrahydro- 5H- cyclohepta[4,5]thieno[2,3- d]pyrimidin- 4- amine
Smiles: C=CCSc1nc(N)c2c(n1)sc1c2CCCCC1

STK525985
Synonyms: N- (5- ethyl- 1,3,4- thiadiazol- 2- yl)- 4- {[(E)- (4- methoxyphenyl)methylidene]amino}benzenesulfonamide
Smiles: CCc1nnc(s1)NS(=O)(=O)c1ccc(cc1)/N=C/c1ccc(cc1)OC

STK525986
Synonyms: 2- {[2- (2,4- dimethoxyphenyl)- 2- oxoethyl]sulfanyl}- 4- (4- fluorophenyl)- 6- phenylpyridine- 3- carbonitrile
Smiles: COc1ccc(c(c1)OC)C(=O)CSc1nc(cc(c1C#N)c1ccc(cc1)F)c1ccccc1

STK525988
Synonyms: 1- [(4- bromobenzyl)sulfanyl]- 4- (3- methylphenyl)- 4H- spiro[benzo[h][1,2,4]triazolo[4,3- a]quinazoline- 6,1'- cyclohexan]- 5(7H)- one
Smiles: Brc1ccc(cc1)CSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2c1cccc(c1)C)CCCCC3

STK525990
Synonyms: (5Z)- 5- {3- [(1,3- dioxo- 1,3- dihydro- 2H- isoindol- 2- yl)methyl]- 4- methoxybenzylidene}- 1- hexylpyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCCCCCN1C(=O)NC(=O)/C(=C/c2ccc(c(c2)CN2C(=O)c3c(C2=O)cccc3)OC)/C1=O

STK525991
Synonyms: copper(2+){[(1E)- 1- (pyridin- 2- yl)ethylidene]amino}oxidanide{[(1Z)- 1- (pyridin- 2- yl)ethylidene]amino}oxidanide
Smiles: C/C(=N/O[Cu]O/N=C(/c1ccccn1)\C)/c1ccccn1

STK525992
Synonyms: 3,3- dimethyl- 4- oxopentanoicacid
Smiles: OC(=O)CC(C(=O)C)(C)C

STK525994
Synonyms: 8- (furan- 2- yl)- 3,3- dimethyl- 6- oxo- 3,4,6,7- tetrahydro- 1H- thiopyrano[3,4- c]pyridine- 5- carbonitrile
Smiles: N#Cc1c(=O)[nH]c(c2c1CC(C)(C)SC2)c1ccco1

STK525995
Synonyms: methyl(2Z)- 2- {[3- (4- chlorophenyl)- 1- phenyl- 1H- pyrazol- 4- yl]methylidene}- 7- methyl- 3- oxo- 5- phenyl- 2,3- dihydro- 5H- [1,3]thiazolo[3,2- a]pyrimidine- 6- carboxylate
Smiles: COC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)/c(=C/c1cn(nc1c1ccc(cc1)Cl)c1ccccc1)/s2

STK525996
Synonyms: 2- [(4- chlorobenzyl)sulfanyl]- 6- (tricyclo[3.3.1.1~3,7~]dec- 1- yl)pyridine- 3- carbonitrile
Smiles: N#Cc1ccc(nc1SCc1ccc(cc1)Cl)C12CC3CC(C2)CC(C1)C3

STK525998
Synonyms: ethyl[(4- benzyl- 5- oxo- 4,5,6,7,8,9- hexahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 1- yl)sulfanyl]acetate
Smiles: CCOC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2Cc1ccccc1)CCCC3

STK525999
Synonyms: 3- (3,4- dihydro- 2H- 1,5- benzodioxepin- 7- yl)- 7- [2,6- dinitro- 4- (trifluoromethyl)phenoxy]- 2- methyl- 4H- chromen- 4- one
Smiles: Cc1oc2cc(ccc2c(=O)c1c1ccc2c(c1)OCCCO2)Oc1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

STK526004
Synonyms: 2,3,5,6,8,9,11,12- octahydro- 1,4,7,10,13- benzopentaoxacyclopentadecin- 15- yl(phenyl)methanone
Smiles: O=C(c1ccccc1)c1ccc2c(c1)OCCOCCOCCOCCO2

STK526007
Synonyms: 6- chloro- 9- [2- (dibenzylamino)ethyl]- 2,3,4,9- tetrahydro- 1H- carbazol- 1- ol
Smiles: Clc1ccc2c(c1)c1CCCC(c1n2CCN(Cc1ccccc1)Cc1ccccc1)O

STK526008
Synonyms: (1- amino- 5- butyl- 8,8- dimethyl- 8,9- dihydro- 6H- furo[2,3- b]pyrano[4,3- d]pyridin- 2- yl)(4- chlorophenyl)methanone
Smiles: CCCCc1nc2oc(c(c2c2c1COC(C2)(C)C)N)C(=O)c1ccc(cc1)Cl

STK526011
Synonyms: 5,7- dimethyl- 2- (2- nitrophenyl)- 1,3- diazatricyclo[3.3.1.1~3,7~]decane
Smiles: [O-][N+](=O)c1ccccc1C1N2CC3(CN1CC(C2)(C3)C)C

STK526013
Synonyms: 3,3'- (phenylimino)dipropanoicacid(non- preferredname)
Smiles: OC(=O)CCN(c1ccccc1)CCC(=O)O

STK526014
Synonyms: ethyl5- (acetyloxy)- 1- benzyl- 6,8- diphenyl- 2- (piperidin- 1- ylmethyl)- 1,6- dihydropyrrolo[2,3- e]indazole- 3- carboxylate
Smiles: CCOC(=O)c1c2cc(OC(=O)C)c3c(c2n(c1CN1CCCCC1)Cc1ccccc1)c(nn3c1ccccc1)c1ccccc1

STK526015
Synonyms: 7- methyl- 2- [(2- oxo- 2- phenylethyl)sulfanyl]- 3- (2- phenylethyl)- 5,6,7,8- tetrahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: CN1CCc2c(C1)sc1c2c(=O)n(c(n1)SCC(=O)c1ccccc1)CCc1ccccc1

STK526017
Synonyms: 6- (butylsulfanyl)- 5- cyano- 4- (furan- 2- yl)- 2- methyl- N- phenyl- 1,4- dihydropyridine- 3- carboxamide
Smiles: CCCCSC1=C(C#N)C(C(=C(N1)C)C(=O)Nc1ccccc1)c1ccco1

STK526018
Synonyms: 2- [(3- bromo- 6- oxo- 6H- pyrimido[2,1- b]quinazolin- 2- yl)amino]benzamide
Smiles: Brc1cn2c(nc1Nc1ccccc1C(=O)N)nc1c(c2=O)cccc1

STK526021
Synonyms: 2,6- diamino- 4- (5- bromothiophen- 2- yl)- 4H- thiopyran- 3,5- dicarbonitrile
Smiles: N#CC1=C(N)SC(=C(C1c1ccc(s1)Br)C#N)N

STK526023
Synonyms: 4- (4- fluorophenyl)- 2- [(pyridin- 4- ylmethyl)sulfanyl]- 6- (thiophen- 2- yl)pyridine- 3- carbonitrile
Smiles: N#Cc1c(SCc2ccncc2)nc(cc1c1ccc(cc1)F)c1cccs1

STK526024
Synonyms: 4- ({[2- (pentyloxy)phenyl]carbonyl}amino)butanoicacid
Smiles: CCCCCOc1ccccc1C(=O)NCCCC(=O)O

STK526025
Synonyms: 1,1'- (sulfanediyldibenzene- 4,1- diyl)bis[3- (phenylsulfanyl)pyrrolidine- 2,5- dione]
Smiles: O=C1CC(C(=O)N1c1ccc(cc1)Sc1ccc(cc1)N1C(=O)CC(C1=O)Sc1ccccc1)Sc1ccccc1

STK526026
Synonyms: 1,2- diphenyl- 3- (pyrrolidin- 1- yl)propan- 1- ol
Smiles: OC(C(c1ccccc1)CN1CCCC1)c1ccccc1

STK526027
Synonyms: 5- ethyl- 8- [(2- methylprop- 2- en- 1- yl)sulfanyl]- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinoline
Smiles: CCc1nc2sc3c(c2c2c1CCCC2)ncnc3SCC(=C)C

STK526032
Synonyms: 2,2- dimethyl- 5- (morpholin- 4- yl)- N- [2- (morpholin- 4- yl)ethyl]- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- amine
Smiles: CC1(C)OCc2c(C1)c1c(nc2N2CCOCC2)sc2c1ncnc2NCCN1CCOCC1

STK526033
Synonyms: 3- [(6- ethyl- 6- methyl- 4- oxo- 3- phenyl- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl)sulfanyl]propanenitrile
Smiles: N#CCCSc1nc2sc3c(c2c(=O)n1c1ccccc1)CC(OC3)(C)CC

STK526034
Synonyms: 2- (hexylsulfanyl)- 3- (2- methylprop- 2- en- 1- yl)- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: CCCCCCSc1nc2sc3c(c2c(=O)n1CC(=C)C)CCCC3

STK526035
Synonyms: 5,6,7,8- tetrafluoro- 1,4- dihydro- 1,4- ethenonaphthalene
Smiles: Fc1c2C3C=CC(c2c(c(c1F)F)F)C=C3

STK526036
Synonyms: 3- chloro- 7- methyl- 1- (prop- 2- en- 1- ylamino)- 5,6,7,8- tetrahydro- 2,7- naphthyridine- 4- carbonitrile
Smiles: C=CCNc1nc(Cl)c(c2c1CN(C)CC2)C#N

STK526039
Synonyms: 4- oxotetrahydrothiophene- 3- carbonitrile
Smiles: C1SCC(=O)C1C#N

STK526041
Synonyms: 10,10- dimethyl- 10a- [(E)- 2- (4- nitrophenyl)ethenyl]- 3,4,10,10a- tetrahydropyrimido[1,2- a]indol- 2(1H)- one
Smiles: O=C1CCN2C(N1)(/C=C/c1ccc(cc1)[N+](=O)[O-])C(C)(C)c1c2cccc1

STK526043
Synonyms: 1- (4- phenoxyphenyl)- 3- (quinolin- 2- yl)benzo[f]quinoline
Smiles: c1ccc(cc1)Oc1ccc(cc1)c1cc(nc2c1c1ccccc1cc2)c1ccc2c(n1)cccc2

STK526045
Synonyms: 1- (4- {[(2E)- 2- (3- nitrobenzylidene)hydrazinyl]carbonyl}- 1,2,3- thiadiazol- 5- yl)- 3- phenylurea
Smiles: O=C(Nc1snnc1C(=O)N/N=C/c1cccc(c1)[N+](=O)[O-])Nc1ccccc1

STK526046
Synonyms: 7- methyl- 3- (4- methylphenyl)- 2- (prop- 2- en- 1- ylsulfanyl)- 5,6,7,8- tetrahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: C=CCSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)CCN(C3)C

STK526048
Synonyms: 2- (azepan- 1- yl)- 1- (4- chlorophenyl)- 2- phenylethanol
Smiles: Clc1ccc(cc1)C(C(c1ccccc1)N1CCCCCC1)O

STK526049
Synonyms: 1- (4- methoxyphenyl)- 2- phenylbutan- 1- one
Smiles: CCC(C(=O)c1ccc(cc1)OC)c1ccccc1

STK526050
Synonyms: 6- {(E)- [2- (5- benzyl- 5H- [1,2,4]triazino[5,6- b]indol- 3- yl)hydrazinylidene]methyl}- 2,3- dimethoxybenzoicacid
Smiles: COc1c(OC)ccc(c1C(=O)O)/C=N/Nc1nnc2c(n1)n(Cc1ccccc1)c1c2cccc1

STK526051
Synonyms: (2Z)- 2- [2- (4- nitrophenyl)hydrazinylidene]pentanedioicacid
Smiles: OC(=O)CC/C(=N/Nc1ccc(cc1)[N+](=O)[O-])/C(=O)O

STK526053
Synonyms: 4'- {3- [(2,4- dimethylbenzyl)sulfanyl]- 5- ethoxy- 4H- 1,2,4- triazol- 4- yl}- N- (3- methylphenyl)- 1'H- spiro[cyclohexane- 1,2'- naphthalene]- 3'- carboxamide
Smiles: CCOc1nnc(n1C1=C(C(=O)Nc2cccc(c2)C)C2(Cc3c1cccc3)CCCCC2)SCc1ccc(cc1C)C

STK526054
Synonyms: 8- benzyl- 3,3- dimethyl- 6- [4- (phenylcarbonyl)piperazin- 1- yl]- 3,4- dihydro- 1H- pyrano[3,4- c]pyridine- 5- carbonitrile
Smiles: N#Cc1c(nc(c2c1CC(C)(C)OC2)Cc1ccccc1)N1CCN(CC1)C(=O)c1ccccc1

STK526055
Synonyms: 4- (2- methylphenyl)- 1- (propylsulfanyl)- 4H- spiro[benzo[h][1,2,4]triazolo[4,3- a]quinazoline- 6,1'- cyclohexan]- 5(7H)- one
Smiles: CCCSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2c1ccccc1C)CCCCC3

STK526056
Synonyms: 1- [(2- oxo- 2- phenylethyl)sulfanyl]- 4- phenyl- 7,8- dihydro- 6H- cyclopenta[4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: O=C(c1ccccc1)CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccccc1)CCC3

STK526057
Synonyms: N'- [(2,2- dichloro- 1- methylcyclopropyl)carbonyl]- 3- nitrobenzohydrazide
Smiles: O=C(C1(C)CC1(Cl)Cl)NNC(=O)c1cccc(c1)[N+](=O)[O-]

STK526058
Synonyms: (5Z)- 1- (4- fluorobenzyl)- 5- [(1- methyl- 1H- indol- 3- yl)methylidene]pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: Fc1ccc(cc1)CN1C(=O)NC(=O)/C(=C/c2cn(c3c2cccc3)C)/C1=O

STK526059
Synonyms: 2- [(2E)- 2- (furan- 2- ylmethylidene)hydrazinyl]- 6,6- dimethyl- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: O=c1[nH]c(N/N=C/c2ccco2)nc2c1c1CC(C)(C)OCc1s2

STK526060
Synonyms: (1S,2S,3aR)- 2- (4- fluorophenyl)- 1- [(3- methoxyphenyl)carbonyl]- 1,2- dihydropyrrolo[1,2- a]quinoline- 3,3(3aH)- dicarbonitrile
Smiles: COc1cccc(c1)C(=O)[C@H]1N2c3ccccc3C=C[C@@H]2C([C@@H]1c1ccc(cc1)F)(C#N)C#N

STK526061
Synonyms: 2- bromo- 6- chloro- N- (3,4- dimethoxyphenyl)hexanamide
Smiles: ClCCCCC(C(=O)Nc1ccc(c(c1)OC)OC)Br

STK526063
Synonyms: 3- amino- 1- (4- chlorophenyl)- 5- hydroxy- 1H- benzo[f]chromene- 2- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccc(cc1)Cl)c1ccccc1cc2O

STK526064
Synonyms: 4- benzyl- 1- [(3,4- dichlorobenzyl)sulfanyl]- 7,8- dihydro- 6H- cyclopenta[4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: Clc1cc(ccc1Cl)CSc1nnc2n1c1sc3c(c1c(=O)n2Cc1ccccc1)CCC3

STK526065
Synonyms: 4- (4- methoxyphenyl)- 2- {[2- (morpholin- 4- yl)ethyl]sulfanyl}- 6- phenylpyridine- 3- carbonitrile
Smiles: COc1ccc(cc1)c1cc(nc(c1C#N)SCCN1CCOCC1)c1ccccc1

STK526066
Synonyms: (2E,2'E)- 2,2'- [(2- hydroxy- 5- methylbenzene- 1,3- diyl)di(E)methylylidene]dihydrazinecarbothioamide
Smiles: NC(=S)N/N=C/c1cc(C)cc(c1O)/C=N/NC(=S)N

STK526067
Synonyms: methyl{[4- (tert- butylamino)- 6- (cyanoamino)- 1,3,5- triazin- 2- yl]sulfanyl}acetate
Smiles: N#CNc1nc(SCC(=O)OC)nc(n1)NC(C)(C)C

STK526068
Synonyms: 2- [(5- oxo- 4- phenyl- 4,5,7,8,9,10- hexahydro- 6H- cyclohepta[4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 1- yl)sulfanyl]acetamide
Smiles: NC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccccc1)CCCCC3

STK526069
Synonyms: 1- (benzylsulfanyl)- 4- (4- methoxyphenyl)- 4H- spiro[benzo[h][1,2,4]triazolo[4,3- a]quinazoline- 6,1'- cyclohexan]- 5(7H)- one
Smiles: COc1ccc(cc1)n1c2nnc(n2c2c(c1=O)C1(CCCCC1)Cc1c2cccc1)SCc1ccccc1

STK526070
Synonyms: N- (2- {(2E)- 2- [2- (benzyloxy)- 5- bromobenzylidene]hydrazinyl}- 2- oxoethyl)- 2,3- dihydro- 1,4- benzodioxine- 2- carboxamide(non- preferredname)
Smiles: O=C(CNC(=O)C1COc2c(O1)cccc2)N/N=C/c1cc(Br)ccc1OCc1ccccc1

STK526071
Synonyms: 7- methyl- 2- [(2- methylprop- 2- en- 1- yl)sulfanyl]- 3- (2- phenylethyl)- 5,6,7,8- tetrahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: CC(=C)CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCN(C3)C

STK526073
Synonyms: tetraethyl2,2'- [butane- 1,4- diylbis(oxybenzene- 4,1- diylmethylylidene)]dipropanedioate
Smiles: CCOC(=O)C(=Cc1ccc(cc1)OCCCCOc1ccc(cc1)C=C(C(=O)OCC)C(=O)OCC)C(=O)OCC

STK526074
Synonyms: 7- (2- chloroethyl)- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: ClCCn1cnc2c1c(=O)n(C)c(=O)n2C

STK526076
Synonyms: ethyl3- amino- 4- (dimethylamino)thieno[2,3- b]pyridine- 2- carboxylate
Smiles: CCOC(=O)c1sc2c(c1N)c(ccn2)N(C)C

STK526079
Synonyms: 6- (4- fluorophenyl)- 2- {[2- (4- fluorophenyl)- 2- oxoethyl]sulfanyl}- 4- phenylpyridine- 3- carbonitrile
Smiles: N#Cc1c(SCC(=O)c2ccc(cc2)F)nc(cc1c1ccccc1)c1ccc(cc1)F

STK526081
Synonyms: 6- ({(2Z)- 3- (4- nitrophenyl)- 2- [(phenylcarbonyl)amino]prop- 2- enoyl}amino)hexanoicacid
Smiles: OC(=O)CCCCCNC(=O)/C(=C/c1ccc(cc1)[N+](=O)[O-])/NC(=O)c1ccccc1

STK526083
Synonyms: [5- hydroxy- 1- (4- methoxyphenyl)- 2- methyl- 6,8- diphenyl- 1,6- dihydropyrrolo[2,3- e]indazol- 3- yl](phenyl)methanone
Smiles: COc1ccc(cc1)n1c(C)c(c2c1c1c(nn(c1c(c2)O)c1ccccc1)c1ccccc1)C(=O)c1ccccc1

STK526085
Synonyms: 2- (3',3'- dimethylspiro[chromene- 2,2'- indol]- 1'(3'H)- yl)acetamide
Smiles: NC(=O)CN1c2ccccc2C(C21C=Cc1c(O2)cccc1)(C)C

STK526086
Synonyms: N- (1- benzyl- 3- cyano- 1H- pyrrolo[2,3- b]quinoxalin- 2- yl)- 2- chlorobenzamide
Smiles: N#Cc1c(NC(=O)c2ccccc2Cl)n(c2c1nc1ccccc1n2)Cc1ccccc1

STK526087
Synonyms: 2,5- bis{[bis(2- chloroethyl)amino]methyl}- 1,6- bis(4- methoxyphenyl)hexane- 1,6- dione
Smiles: ClCCN(CC(C(=O)c1ccc(cc1)OC)CCC(C(=O)c1ccc(cc1)OC)CN(CCCl)CCCl)CCCl

STK526089
Synonyms: 1- {[2- (4- bromophenyl)- 2- oxoethyl]sulfanyl}- 4- (2- methylphenyl)- 4H- spiro[benzo[h][1,2,4]triazolo[4,3- a]quinazoline- 6,1'- cyclohexan]- 5(7H)- one
Smiles: Brc1ccc(cc1)C(=O)CSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2c1ccccc1C)CCCCC3

STK526090
Synonyms: 4- benzyl- 1- (pentylsulfanyl)- 4H- spiro[benzo[h][1,2,4]triazolo[4,3- a]quinazoline- 6,1'- cyclohexan]- 5(7H)- one
Smiles: CCCCCSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2Cc1ccccc1)CCCCC3

STK526092
Synonyms: 1- [(azepan- 1- ylmethyl)amino]- 3- (8- methyl- 1,2,3a,4,5,6- hexahydro- 3H- pyrazino[3,2,1- jk]carbazol- 3- yl)propan- 2- ol
Smiles: OC(CN1CCn2c3C1CCCc3c1c2ccc(c1)C)CNCN1CCCCCC1

STK526093
Synonyms: (1Z)- N- hydroxy- 1- (pyridin- 2- yl)heptan- 1- imine
Smiles: CCCCCC/C(=N/O)/c1ccccn1

STK526094
Synonyms: N- (3- cyano- 1- phenyl- 1H- pyrrolo[2,3- b]quinoxalin- 2- yl)furan- 2- carboxamide
Smiles: N#Cc1c(NC(=O)c2ccco2)n(c2c1nc1ccccc1n2)c1ccccc1

STK526095
Synonyms: N- cyclohexyl- 2,2- dimethyl- 5- propyl- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- amine
Smiles: CCCc1nc2sc3c(c2c2c1COC(C2)(C)C)ncnc3NC1CCCCC1

STK526099
Synonyms: 5- (4- butoxybenzyl)- 4- chloro- 2- (methylsulfanyl)- 6- (piperidin- 1- yl)pyrimidine
Smiles: CCCCOc1ccc(cc1)Cc1c(Cl)nc(nc1N1CCCCC1)SC

STK526100
Synonyms: 1- (2,2- dibromo- 3- methylcyclopropyl)- 4- nitrobenzene
Smiles: CC1C(C1(Br)Br)c1ccc(cc1)[N+](=O)[O-]

STK526101
Synonyms: (1E)- N- hydroxy- 1- (pyridin- 2- yl)decan- 1- imine
Smiles: CCCCCCCCC/C(=N\O)/c1ccccn1

STK526103
Synonyms: 1- (3- chlorophenyl)- 6- hydroxy- 4,4,6- trimethyl- 3- propyltetrahydropyrimidin- 2(1H)- one
Smiles: CCCN1C(=O)N(c2cccc(c2)Cl)C(CC1(C)C)(C)O

STK526104
Synonyms: 3- (3- chlorophenyl)- 1- [3- (3- chlorophenyl)- 1- (2- {(2Z)- 2- [1- (3,4- dichlorophenyl)ethylidene]hydrazinyl}- 2- oxoethyl)- 5,5- dimethyl- 2- oxoimidazolidin- 4- yl]- 1- hydroxyurea
Smiles: O=C(CN1C(=O)N(C(C1(C)C)N(C(=O)Nc1cccc(c1)Cl)O)c1cccc(c1)Cl)N/N=C(\c1ccc(c(c1)Cl)Cl)/C

STK526105
Synonyms: N- (4- hydroxyphenyl)- 6- [(5E)- 5- (3- {6- [(4- hydroxyphenyl)amino]- 6- oxohexyl}- 4- oxo- 2- thioxo- 1,3- thiazolidin- 5- ylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]hexanamide
Smiles: O=C(Nc1ccc(cc1)O)CCCCCN1C(=S)S/C(=C\2/SC(=S)N(C2=O)CCCCCC(=O)Nc2ccc(cc2)O)/C1=O

STK526106
Synonyms: 2- {[2- (4- bromophenyl)- 2- oxoethyl]sulfanyl}- 3- ethylquinazolin- 4(3H)- one
Smiles: CCn1c(SCC(=O)c2ccc(cc2)Br)nc2c(c1=O)cccc2

STK526109
Synonyms: 3- chloro- 7- cyclohexyl- 1- (cyclohexylamino)- 5,6,7,8- tetrahydro- 2,7- naphthyridine- 4- carbonitrile
Smiles: N#Cc1c(Cl)nc(c2c1CCN(C2)C1CCCCC1)NC1CCCCC1

STK526110
Synonyms: 7- cyclohexyl- 1,3- di(morpholin- 4- yl)- 5,6,7,8- tetrahydro- 2,7- naphthyridine- 4- carbonitrile
Smiles: N#Cc1c2CCN(Cc2c(nc1N1CCOCC1)N1CCOCC1)C1CCCCC1

STK526111
Synonyms: 7- tert- butyl- 2- (heptylsulfanyl)- 3- (prop- 2- en- 1- yl)- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: C=CCn1c(SCCCCCCC)nc2c(c1=O)c1CCC(Cc1s2)C(C)(C)C

STK526112
Synonyms: N- [(1E,2E)- 3- phenylprop- 2- en- 1- ylidene]benzenesulfonamide
Smiles: O=S(=O)(c1ccccc1)/N=C/C=C/c1ccccc1

STK526113
Synonyms: 6- ({[2- (pentyloxy)phenyl]carbonyl}amino)hexanoicacid
Smiles: CCCCCOc1ccccc1C(=O)NCCCCCC(=O)O

STK526115
Synonyms: 2- {[2- (morpholin- 4- yl)ethyl]sulfanyl}- 6- (thiophen- 2- yl)- 4- (trifluoromethyl)pyridine- 3- carbonitrile
Smiles: N#Cc1c(SCCN2CCOCC2)nc(cc1C(F)(F)F)c1cccs1

STK526117
Synonyms: (2- methylpropoxy)(diphenyl)aceticacid
Smiles: CC(COC(c1ccccc1)(c1ccccc1)C(=O)O)C

STK526118
Synonyms: 3- (4- ethoxybenzyl)pyrrolidine- 2,5- dione
Smiles: CCOc1ccc(cc1)CC1CC(=O)NC1=O

STK526119
Synonyms: (5Z)- 1- cyclohexyl- 5- [(1- methyl- 1H- indol- 3- yl)methylidene]pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: O=C1NC(=O)N(C(=O)/C/1=C\c1cn(c2c1cccc2)C)C1CCCCC1

STK526120
Synonyms: 2- [(3,4- dichlorobenzyl)sulfanyl]- 8,8- dimethyl- 3- phenyl- 3,6,8,9- tetrahydro- 4H- pyrano[3',4':5,6]pyrido[2,3- d]pyrimidin- 4- one
Smiles: Clc1ccc(cc1Cl)CSc1nc2nc3CC(C)(C)OCc3cc2c(=O)n1c1ccccc1

STK526121
Synonyms: ethyl(2R)- 2- (4- bromobenzyl)- 5- (3,4- dimethoxyphenyl)- 7- methyl- 3- oxo- 2,3- dihydro- 5H- [1,3]thiazolo[3,2- a]pyrimidine- 6- carboxylate
Smiles: CCOC(=O)C1=C(C)N=C2N(C1c1ccc(c(c1)OC)OC)C(=O)[C@H](S2)Cc1ccc(cc1)Br

STK526124
Synonyms: N'- [2,2- dimethyl- 5- (morpholin- 4- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- yl]- N,N- dimethylethane- 1,2- diamine
Smiles: CN(CCNc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1)C

STK526125
Synonyms: N- (4- butylbenzyl)- 3- [(6,6- dimethyl- 4- oxo- 3- phenyl- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl)sulfanyl]propanamide
Smiles: CCCCc1ccc(cc1)CNC(=O)CCSc1nc2sc3c(c2c(=O)n1c1ccccc1)CC(OC3)(C)C

STK526126
Synonyms: 2,2- dimethyl- 5- (morpholin- 4- yl)- 8- (prop- 2- en- 1- ylsulfanyl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidine
Smiles: C=CCSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1

STK526127
Synonyms: 8- ethyl- 3,3- dimethyl- 6- {4- [(4- nitrophenyl)carbonyl]piperazin- 1- yl}- 3,4- dihydro- 1H- thiopyrano[3,4- c]pyridine- 5- carbonitrile
Smiles: N#Cc1c(nc(c2c1CC(C)(C)SC2)CC)N1CCN(CC1)C(=O)c1ccc(cc1)[N+](=O)[O-]

STK526131
Synonyms: ethyl(2E)- 3- [1,3- bis(3- bromo- 4- methoxybenzyl)- 6- methyl- 2,4- dioxo- 1,2,3,4- tetrahydropyrimidin- 5- yl]prop- 2- enoate
Smiles: CCOC(=O)/C=C/c1c(C)n(Cc2ccc(c(c2)Br)OC)c(=O)n(c1=O)Cc1ccc(c(c1)Br)OC

STK526132
Synonyms: 1- [(E)- 2- chloro- 1,2- diphenylethenyl]- 4- methoxybenzene
Smiles: COc1ccc(cc1)/C(=C(\c1ccccc1)/Cl)/c1ccccc1

STK526134
Synonyms: 2- {[2- (4- methoxyphenyl)- 2- oxoethyl]sulfanyl}- 4,6- di(thiophen- 2- yl)pyridine- 3- carbonitrile
Smiles: COc1ccc(cc1)C(=O)CSc1nc(cc(c1C#N)c1cccs1)c1cccs1

STK526136
Synonyms: 2- {[2,2- dimethyl- 5- (morpholin- 4- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- yl]sulfanyl}- 1- phenylethanone
Smiles: O=C(c1ccccc1)CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1

STK526137
Synonyms: 4- butyl- 1- [(2- oxo- 2- phenylethyl)sulfanyl]- 6,7,8,9- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: CCCCn1c2nnc(n2c2c(c1=O)c1CCCCc1s2)SCC(=O)c1ccccc1

STK526138
Synonyms: 2'- [(3- chlorophenyl)amino]- 6'- (diethylamino)- 3H- spiro[2- benzofuran- 1,9'- xanthen]- 3- one
Smiles: CCN(c1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)cc(cc1)Nc1cccc(c1)Cl)CC

STK526139
Synonyms: 2,3- dimethoxy- 6- [(Z)- {2- [(3,4,5- trimethoxyphenyl)carbonyl]hydrazinylidene}methyl]benzoicacid
Smiles: COc1c(OC)ccc(c1C(=O)O)/C=N\NC(=O)c1cc(OC)c(c(c1)OC)OC

STK526140
Synonyms: 5- chloro- N- {3- chloro- 4- [(1- chloronaphthalen- 2- yl)oxy]phenyl}- 2- hydroxy- 3- iodobenzamide
Smiles: Clc1cc(I)c(c(c1)C(=O)Nc1ccc(c(c1)Cl)Oc1ccc2c(c1Cl)cccc2)O

STK526141
Synonyms: (2E)- 2- cyano- 3- {[2- (dimethylamino)ethyl]amino}but- 2- enamide
Smiles: CN(CCN/C(=C(/C(=O)N)\C#N)/C)C

STK526142
Synonyms: {bis[4- (2- cyclohexylpropan- 2- yl)phenyl]amino}oxidanyl
Smiles: [O]N(c1ccc(cc1)C(C1CCCCC1)(C)C)c1ccc(cc1)C(C1CCCCC1)(C)C

STK526145
Synonyms: {3- amino- 2- [(4- bromophenyl)carbonyl]- 6- (trifluoromethyl)thieno[2,3- b]pyridin- 5- yl}(phenyl)methanone
Smiles: Brc1ccc(cc1)C(=O)c1sc2c(c1N)cc(c(n2)C(F)(F)F)C(=O)c1ccccc1

STK526146
Synonyms: 4- chloro- N- (3- cyano- 1- phenyl- 1H- pyrrolo[2,3- b]quinoxalin- 2- yl)benzamide
Smiles: N#Cc1c(NC(=O)c2ccc(cc2)Cl)n(c2c1nc1ccccc1n2)c1ccccc1

STK526147
Synonyms: 1- [(E)- 2- (4- methoxyphenyl)ethenyl]- 3- (quinolin- 2- yl)benzo[f]quinoline
Smiles: COc1ccc(cc1)/C=C/c1cc(nc2c1c1ccccc1cc2)c1ccc2c(n1)cccc2

STK526150
Synonyms: 2- [(Z)- (2- {[2- (pyridin- 2- yl)- 1H- benzimidazol- 1- yl]acetyl}hydrazinylidene)methyl]phenyl(2E)- 3- (furan- 2- yl)prop- 2- enoate
Smiles: O=C(Cn1c(nc2c1cccc2)c1ccccn1)N/N=C\c1ccccc1OC(=O)/C=C/c1ccco1

STK526152
Synonyms: 7- methyl- 3- (morpholin- 4- yl)- 1- (pentylamino)- 5,6,7,8- tetrahydro- 2,7- naphthyridine- 4- carbonitrile
Smiles: CCCCCNc1nc(N2CCOCC2)c(c2c1CN(C)CC2)C#N

STK526154
Synonyms: 1,8- di(piperidin- 1- yl)octane- 3,6- dione
Smiles: O=C(CCN1CCCCC1)CCC(=O)CCN1CCCCC1

STK526155
Synonyms: N- [3- cyano- 1- (2- phenylethyl)- 1H- pyrrolo[2,3- b]quinoxalin- 2- yl]benzamide
Smiles: N#Cc1c(NC(=O)c2ccccc2)n(c2c1nc1ccccc1n2)CCc1ccccc1

STK526156
Synonyms: 4- chloro- 1- methyl- 5- nitro- 1H- imidazole
Smiles: [O-][N+](=O)c1c(Cl)ncn1C

STK526157
Synonyms: 2- {[2- (4- methoxyphenyl)- 2- oxoethyl]sulfanyl}- 6- (thiophen- 2- yl)- 4- (trifluoromethyl)pyridine- 3- carbonitrile
Smiles: N#Cc1c(SCC(=O)c2ccc(cc2)OC)nc(cc1C(F)(F)F)c1cccs1

STK526158
Synonyms: 9- benzyl- 6- chloro- 2,3,4,9- tetrahydro- 1H- carbazol- 1- one
Smiles: Clc1ccc2c(c1)c1CCCC(=O)c1n2Cc1ccccc1

STK526159
Synonyms: 1- (4- bromophenyl)- 2- [(5- ethyl- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinolin- 8- yl)sulfanyl]ethanone
Smiles: CCc1nc2sc3c(c2c2c1CCCC2)ncnc3SCC(=O)c1ccc(cc1)Br

STK526162
Synonyms: (2Z)- 2- [1- (4- chlorobutyl)- 2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene]hydrazinecarboxamide
Smiles: ClCCCCN1c2ccccc2/C(=N/NC(=O)N)/C1=O

STK526164
Synonyms: 1,9- bis(3,4,5- trichlorothiophen- 2- yl)nonane- 1,9- dione
Smiles: O=C(c1sc(c(c1Cl)Cl)Cl)CCCCCCCC(=O)c1sc(c(c1Cl)Cl)Cl

STK526165
Synonyms: N'- [2,2- dimethyl- 5- (morpholin- 4- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- yl]- N,N- diethylethane- 1,2- diamine
Smiles: CCN(CCNc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1)CC

STK526167
Synonyms: 1- (2,3,5,6,8,9,11,12- octahydro- 1,4,7,10,13- benzopentaoxacyclopentadecin- 15- yl)- 2,2- diphenylethanone
Smiles: O=C(C(c1ccccc1)c1ccccc1)c1ccc2c(c1)OCCOCCOCCOCCO2

STK526170
Synonyms: 7- benzyl- 2,4- bis(prop- 2- en- 1- ylsulfanyl)- 5,6,7,8- tetrahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidine
Smiles: C=CCSc1nc(SCC=C)nc2c1c1CCN(Cc1s2)Cc1ccccc1

STK526173
Synonyms: bis(2,3- dimethylphenyl)(1- phenylethyl)phosphoramidate
Smiles: CC(c1ccccc1)NP(=O)(Oc1cccc(c1C)C)Oc1cccc(c1C)C

STK526175
Synonyms: 3,5- dibromo- N- {3- chloro- 4- [(5- chloroquinolin- 8- yl)oxy]phenyl}- 2- hydroxybenzamide
Smiles: Brc1cc(Br)c(c(c1)C(=O)Nc1ccc(c(c1)Cl)Oc1ccc(c2c1nccc2)Cl)O

STK526177
Synonyms: 8- chloro- 7- (2,6- dichlorobenzyl)- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Clc1cccc(c1Cn1c(Cl)nc2c1c(=O)n(C)c(=O)n2C)Cl

STK526178
Synonyms: (5Z)- 5- {3- [(1,3- dioxo- 1,3- dihydro- 2H- isoindol- 2- yl)methyl]- 4- methoxybenzylidene}- 1- (4- ethoxyphenyl)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCOc1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2ccc(c(c2)CN2C(=O)c3c(C2=O)cccc3)OC)/C1=O

STK526179
Synonyms: (2E,2'E)- 2,2'- [butane- 1,4- diylbis(2- oxo- 1H- indol- 1- yl- 3- ylidene)]dihydrazinecarbothioamide
Smiles: NC(=S)N/N=C\1/C(=O)N(c2c1cccc2)CCCCN1c2ccccc2/C(=N\NC(=S)N)/C1=O

STK526180
Synonyms: 3,3- dimethyl- 1- octyl- 1,3- dihydrospiro[indole- 2,3'- naphtho[2,1- b][1,4]oxazine]
Smiles: CCCCCCCCN1c2ccccc2C(C21C=Nc1c(O2)ccc2c1cccc2)(C)C

STK526181
Synonyms: N- (2- {(2E)- 2- [(2- ethoxynaphthalen- 1- yl)methylidene]hydrazinyl}- 2- oxoethyl)pyridine- 4- carboxamide(non- preferredname)
Smiles: CCOc1ccc2c(c1/C=N/NC(=O)CNC(=O)c1ccncc1)cccc2

STK526182
Synonyms: N- (4- bromophenyl)- 2- {[5- (diphenylmethyl)- 4- hydroxy- 6- oxo- 1,6- dihydropyrimidin- 2- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)Br)CSc1nc(O)c(c(=O)[nH]1)C(c1ccccc1)c1ccccc1

STK526184
Synonyms: methylN- [(2,4- dichlorophenyl)carbonyl]alaninate
Smiles: COC(=O)C(NC(=O)c1ccc(cc1Cl)Cl)C

STK526185
Synonyms: 2- (1,3,3,3- tetrachloropropyl)- 1H- benzimidazole
Smiles: ClC(c1nc2c([nH]1)cccc2)CC(Cl)(Cl)Cl

STK526187
Synonyms: 6- amino- 5,7,7- tricyano- 8- (3- methoxyphenyl)- 3,7,8,8a- tetrahydroisoquinoline- 2(1H)- carboxamide
Smiles: N#CC1=C(N)C(C(C2C1=CCN(C2)C(=O)N)c1cccc(c1)OC)(C#N)C#N

STK526188
Synonyms: 8- [(6- aminohexyl)amino]- 1- (2- chlorobenzyl)- 3,7- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: NCCCCCCNc1nc2c(n1C)c(=O)n(c(=O)n2C)Cc1ccccc1Cl

STK526189
Synonyms: ethyl1- {[(E)- ethoxymethylidene]amino}- 5- propyl- 6,7,8,9- tetrahydrothieno[2,3- c]isoquinoline- 2- carboxylate
Smiles: CCO/C=N/c1c(sc2c1c1CCCCc1c(n2)CCC)C(=O)OCC

STK526191
Synonyms: 2,2- dimethyl- N- (3- methylbutyl)- 5- (morpholin- 4- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d][1,2,3]triazin- 8- amine
Smiles: CC(CCNc1nnnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1)C

STK526194
Synonyms: 3,3- dimethyl- 8- (2- methylpropyl)- 6- (4- pentanoylpiperazin- 1- yl)- 3,4- dihydro- 1H- pyrano[3,4- c]pyridine- 5- carbonitrile
Smiles: CCCCC(=O)N1CCN(CC1)c1nc(CC(C)C)c2c(c1C#N)CC(OC2)(C)C

STK526195
Synonyms: 5- ethyl- 2,2- dimethyl- N- (2- methylpropyl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- amine
Smiles: CCc1nc2sc3c(c2c2c1COC(C2)(C)C)ncnc3NCC(C)C

STK526196
Synonyms: (4R,4aS)- 2- amino- 4- (4- bromophenyl)- 10- methyl- 4,4a,5,6,7,8- hexahydro- 3H- 5,8- epiminobenzo[7]annulene- 1,3,3- tricarbonitrile
Smiles: N#CC1=C(N)C([C@H]([C@H]2C1=CC1CCC2N1C)c1ccc(cc1)Br)(C#N)C#N

STK526199
Synonyms: 3- chloro- 7- cyclohexyl- 1- (morpholin- 4- yl)- 5,6,7,8- tetrahydro- 2,7- naphthyridine- 4- carbonitrile
Smiles: N#Cc1c(Cl)nc(c2c1CCN(C2)C1CCCCC1)N1CCOCC1

STK526200
Synonyms: (2S,3R,10bS)- 1,1- dicyano- 2- (2- fluorophenyl)- 1,2,3,10b- tetrahydropyrrolo[2,1- a]isoquinoline- 3- carboxamide
Smiles: N#CC1(C#N)[C@@H](c2ccccc2F)[C@@H](N2[C@H]1c1ccccc1C=C2)C(=O)N

STK526202
Synonyms: 1- (heptylsulfanyl)- 4- methyl- 7,8- dihydro- 6H- cyclopenta[4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: CCCCCCCSc1nnc2n1c1sc3c(c1c(=O)n2C)CCC3

STK526203
Synonyms: 2- (ethylsulfanyl)- 3- (4- methoxyphenyl)- 8,8- dimethyl- 3,6,8,9- tetrahydro- 4H- pyrano[3',4':5,6]pyrido[2,3- d]pyrimidin- 4- one
Smiles: CCSc1nc2nc3CC(C)(C)OCc3cc2c(=O)n1c1ccc(cc1)OC

STK526206
Synonyms: 2- {[2- (3- methoxyphenyl)- 2- oxoethyl]sulfanyl}- 6- phenyl- 4- (trifluoromethyl)pyridine- 3- carbonitrile
Smiles: N#Cc1c(SCC(=O)c2cccc(c2)OC)nc(cc1C(F)(F)F)c1ccccc1

STK526207
Synonyms: 6- (benzylamino)- 8- ethyl- 3,3- dimethyl- 3,4- dihydro- 1H- thiopyrano[3,4- c]pyridine- 5- carbonitrile
Smiles: N#Cc1c(NCc2ccccc2)nc(c2c1CC(C)(C)SC2)CC

STK526208
Synonyms: 3- amino- N- (4- iodophenyl)- 6- methyl- 4- (trifluoromethyl)thieno[2,3- b]pyridine- 2- carboxamide
Smiles: Ic1ccc(cc1)NC(=O)c1sc2c(c1N)c(cc(n2)C)C(F)(F)F

STK526209
Synonyms: 2- (2,6- dioxotetrahydro- 2H- pyran- 3- yl)- 1H- isoindole- 1,3(2H)- dione
Smiles: O=C1CCC(C(=O)O1)N1C(=O)c2c(C1=O)cccc2

STK526210
Synonyms: N- {[2- (pentyloxy)phenyl]carbonyl}- beta- alanine
Smiles: CCCCCOc1ccccc1C(=O)NCCC(=O)O

STK526211
Synonyms: N- [(2- cyanoethyl)(4- ethoxybenzyl)carbamothioyl]benzamide
Smiles: CCOc1ccc(cc1)CN(C(=S)NC(=O)c1ccccc1)CCC#N

STK526212
Synonyms: 1,4- bis(4- fluorophenyl)piperazine- 2,5- dione
Smiles: O=C1CN(C(=O)CN1c1ccc(cc1)F)c1ccc(cc1)F

STK526213
Synonyms: 5,5'- [hexane- 1,6- diylbis(iminomethylylidene)]bis(1,3- dimethylpyrimidine- 2,4,6(1H,3H,5H)- trione)
Smiles: CN1C(=O)N(C)C(=O)C(=CNCCCCCCNC=C2C(=O)N(C)C(=O)N(C2=O)C)C1=O

STK526214
Synonyms: [1- methyl- 3- (3- nitrophenyl)aziridin- 2- yl](phenyl)methanone
Smiles: CN1C(C1C(=O)c1ccccc1)c1cccc(c1)[N+](=O)[O-]

STK526215
Synonyms: 9- tert- butyl- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CC(C1CCc2c(C1)sc1c2c2nncn2cn1)(C)C

STK526216
Synonyms: 4- nitro- N- [(1S)- 2- phenylcyclopropyl]benzamide
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])N[C@H]1CC1c1ccccc1

STK526218
Synonyms: 3,3- dimethyl- 8- [4- (phenylacetyl)piperazin- 1- yl]- 6- sulfanyl- 3,4- dihydro- 1H- pyrano[3,4- c]pyridine- 5- carbonitrile
Smiles: N#Cc1c(S)nc(c2c1CC(C)(C)OC2)N1CCN(CC1)C(=O)Cc1ccccc1

STK526222
Synonyms: 2,3- dimethoxy- 6- [(E)- {2- [(naphthalen- 1- yloxy)acetyl]hydrazinylidene}methyl]benzoicacid
Smiles: COc1c(OC)ccc(c1C(=O)O)/C=N/NC(=O)COc1cccc2c1cccc2

STK526223
Synonyms: [1- amino- 7,8,8- trimethyl- 5- (morpholin- 4- yl)- 6,7,8,9- tetrahydrothieno[2,3- c][2,7]naphthyridin- 2- yl](4- bromophenyl)methanone
Smiles: Brc1ccc(cc1)C(=O)c1sc2c(c1N)c1CC(C)(C)N(Cc1c(n2)N1CCOCC1)C

STK526225
Synonyms: 4- bromo- 2- [(E)- (2- {[(2,3- dihydro- 1,4- benzodioxin- 2- ylcarbonyl)amino]acetyl}hydrazinylidene)methyl]phenyl(2Z)- 3- (furan- 2- yl)prop- 2- enoate(non- preferredname)
Smiles: O=C(CNC(=O)C1COc2c(O1)cccc2)N/N=C/c1cc(Br)ccc1OC(=O)/C=C\c1ccco1

STK526227
Synonyms: (2E)- N- (2- cyanoethyl)- 3- ethoxy- N- methylprop- 2- enamide
Smiles: CN(C(=O)/C=C/OCC)CCC#N

STK526228
Synonyms: 3- [4- (1- benzofuran- 2- ylcarbonyl)piperazin- 1- yl]- 1- phenyl- 5,6,7,8- tetrahydroisoquinoline- 4- carbonitrile
Smiles: N#Cc1c(nc(c2c1CCCC2)c1ccccc1)N1CCN(CC1)C(=O)c1cc2c(o1)cccc2

STK526229
Synonyms: 1- [4- (phenylsulfanyl)phenyl]- 3- (quinolin- 2- yl)benzo[f]quinoline
Smiles: c1ccc(cc1)Sc1ccc(cc1)c1cc(nc2c1c1ccccc1cc2)c1ccc2c(n1)cccc2

STK526231
Synonyms: 1,8- bis[4- (pentyloxy)phenyl]- 2,7- bis(piperidin- 1- ylmethyl)octane- 1,8- dione
Smiles: CCCCCOc1ccc(cc1)C(=O)C(CN1CCCCC1)CCCCC(C(=O)c1ccc(cc1)OCCCCC)CN1CCCCC1

STK526234
Synonyms: 7- (4- bromobenzyl)- 8- (4- bromophenoxy)- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Brc1ccc(cc1)Oc1nc2c(n1Cc1ccc(cc1)Br)c(=O)n(c(=O)n2C)C

STK526236
Synonyms: (1S,2S,3aR)- 2- (4- chlorophenyl)- 1- [(4- ethoxyphenyl)carbonyl]- 1,2- dihydropyrrolo[1,2- a]quinoline- 3,3(3aH)- dicarbonitrile
Smiles: CCOc1ccc(cc1)C(=O)[C@H]1N2c3ccccc3C=C[C@@H]2C([C@@H]1c1ccc(cc1)Cl)(C#N)C#N

STK526237
Synonyms: 4- methyl- 8- (morpholin- 4- ylmethyl)- 2- oxo- 2H- chromen- 7- ylprop- 2- enoate
Smiles: C=CC(=O)Oc1ccc2c(c1CN1CCOCC1)oc(=O)cc2C

STK526238
Synonyms: 6a- (naphthalen- 1- yl)- 1a- phenyl- 1a,6a- dihydro- 6H- indeno[1,2- b]oxiren- 6- one
Smiles: O=C1c2ccccc2C2(C1(O2)c1cccc2c1cccc2)c1ccccc1

STK526240
Synonyms: 2,2- dimethyl- 5- (morpholin- 4- yl)- 8- (piperidin- 1- yl)- 1,4- dihydro- 2H- thiopyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d][1,2,3]triazine
Smiles: CC1(C)SCc2c(C1)c1c(nc2N2CCOCC2)sc2c1nnnc2N1CCCCC1

STK526242
Synonyms: (5Z)- 1- [3- (trifluoromethyl)phenyl]- 5- (3,4,5- trimethoxybenzylidene)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: COc1c(OC)cc(cc1OC)/C=C\1/C(=O)NC(=O)N(C1=O)c1cccc(c1)C(F)(F)F

STK526243
Synonyms: 2- bromo- 1- methyl- N- (pentafluorophenyl)cyclopropanecarboxamide
Smiles: BrC1CC1(C)C(=O)Nc1c(F)c(F)c(c(c1F)F)F

STK526245
Synonyms: methylN- {2- [(4- methoxybenzyl)sulfanyl]ethyl}- N'- phenylcarbamimidothioate
Smiles: COc1ccc(cc1)CSCCN/C(=N/c1ccccc1)/SC

STK526246
Synonyms: (2E)- 2- [5- methoxy- 2- oxo- 1- (2- oxo- 2- phenylethyl)- 1,2- dihydro- 3H- indol- 3- ylidene]hydrazinecarbothioamide
Smiles: COc1ccc2c(c1)/C(=N\NC(=S)N)/C(=O)N2CC(=O)c1ccccc1

STK526247
Synonyms: 1- phenyl- 1,3a,4,5,10,10b- hexahydropyrazolo[3,4- a]carbazole
Smiles: c1ccc(cc1)N1N=CC2C1c1[nH]c3c(c1CC2)cccc3

STK526248
Synonyms: 4- ({(2E)- 3- (2- fluorophenyl)- 2- [(phenylcarbonyl)amino]prop- 2- enoyl}amino)butanoicacid
Smiles: OC(=O)CCCNC(=O)/C(=C\c1ccccc1F)/NC(=O)c1ccccc1

STK526249
Synonyms: tert- butyl(8R,8aS)- 6- amino- 8- (4- chlorophenyl)- 5,7,7- tricyano- 3,7,8,8a- tetrahydroisoquinoline- 2(1H)- carboxylate
Smiles: N#CC1=C(N)C([C@H]([C@H]2C1=CCN(C2)C(=O)OC(C)(C)C)c1ccc(cc1)Cl)(C#N)C#N

STK526251
Synonyms: 8- methoxy- 2- methyl- 3- {[(E)- pyridin- 3- ylmethylidene]amino}- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: COc1ccc2c(c1)c1nc(C)n(c(=O)c1[nH]2)/N=C/c1cccnc1

STK526252
Synonyms: 1- {[2- (4- bromophenyl)- 2- oxoethyl]sulfanyl}- 4- methyl- 6,7,8,9- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: Brc1ccc(cc1)C(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2C)CCCC3

STK526253
Synonyms: ethyl2- [(N- butyl- N- ethylglycyl)amino]- 5,5- dimethyl- 4,7- dihydro- 5H- thieno[2,3- c]pyran- 3- carboxylate
Smiles: CCCCN(CC(=O)Nc1sc2c(c1C(=O)OCC)CC(OC2)(C)C)CC

STK526254
Synonyms: 1- (5,5- diphenylpent- 2- yn- 1- yl)- 2,6- dimethylpiperidine
Smiles: CC1CCCC(N1CC#CCC(c1ccccc1)c1ccccc1)C

STK526255
Synonyms: 1- (4- bromophenyl)- 3- [3- (piperidin- 1- yl)propyl]thiourea
Smiles: S=C(Nc1ccc(cc1)Br)NCCCN1CCCCC1

STK526257
Synonyms: N- cyclohexyl- 2,2- dimethyl- 5- (morpholin- 4- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- amine
Smiles: CC1(C)OCc2c(C1)c1c(nc2N2CCOCC2)sc2c1ncnc2NC1CCCCC1

STK526259
Synonyms: 6- [(E)- (4- methoxyphenyl)diazenyl]- 2H- chromen- 2- one
Smiles: COc1ccc(cc1)/N=N/c1ccc2c(c1)ccc(=O)o2

STK526262
Synonyms: N- {4- [(4- bromonaphthalen- 1- yl)oxy]- 3- chlorophenyl}- 1,3- benzodioxole- 5- carboxamide
Smiles: O=C(c1ccc2c(c1)OCO2)Nc1ccc(c(c1)Cl)Oc1ccc(c2c1cccc2)Br

STK526263
Synonyms: 3- benzyl- 7- (3- bromobenzyl)- 1,5- dimethyl- 3,7- diazabicyclo[3.3.1]nonane
Smiles: Brc1cccc(c1)CN1CC2(C)CN(CC(C1)(C2)C)Cc1ccccc1

STK526264
Synonyms: 2- (benzylsulfanyl)- 3- phenyl- 7- (propan- 2- yl)- 5,6,7,8- tetrahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: CC(N1CCc2c(C1)sc1c2c(=O)n(c(n1)SCc1ccccc1)c1ccccc1)C

STK526265
Synonyms: (5Z)- 1- [2- (cyclohex- 1- en- 1- yl)ethyl]- 5- [(1- methyl- 1H- indol- 3- yl)methylidene]pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: O=C1NC(=O)/C(=C/c2cn(c3c2cccc3)C)/C(=O)N1CCC1=CCCCC1

STK526266
Synonyms: 3- (4- bromophenyl)- 2- (heptylsulfanyl)- 6,6- dimethyl- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: CCCCCCCSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Br)CC(OC3)(C)C

STK526267
Synonyms: 8- chloro- 2,2- dimethyl- 5- (morpholin- 4- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d][1,2,3]triazine
Smiles: Clc1nnnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1

STK526269
Synonyms: [2- (2- nitrophenyl)hydrazinylidene]propanedinitrile
Smiles: N#CC(=NNc1ccccc1[N+](=O)[O-])C#N

STK526271
Synonyms: ethyl6- amino- 8- (3- bromophenyl)- 5,7,7- tricyano- 3,7,8,8a- tetrahydroisoquinoline- 2(1H)- carboxylate
Smiles: CCOC(=O)N1CC=C2C(C1)C(c1cccc(c1)Br)C(C(=C2C#N)N)(C#N)C#N

STK526273
Synonyms: N'- [2,2- dimethyl- 5- (morpholin- 4- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- yl]- N,N- dimethylpropane- 1,3- diamine
Smiles: CN(CCCNc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1)C

STK526274
Synonyms: (2R,3R,10bS)- 2- (pyridin- 3- yl)- 3- (tricyclo[3.3.1.1~3,7~]dec- 1- ylcarbonyl)- 2,3- dihydropyrrolo[2,1- a]isoquinoline- 1,1(10bH)- dicarbonitrile
Smiles: N#CC1(C#N)[C@@H](c2cccnc2)[C@@H](N2[C@H]1c1ccccc1C=C2)C(=O)C12CC3CC(C2)CC(C1)C3

STK526276
Synonyms: N,5- dibenzyl- 4- phenyl- 5H- pyrido[3',4':4,5]pyrrolo[3,2- d]pyrimidin- 9- amine
Smiles: c1ccc(cc1)CNc1nccc2c1c1ncnc(c1n2Cc1ccccc1)c1ccccc1

STK526279
Synonyms: bis(2- fluorophenyl)(5- chloro- 2- methylphenyl)phosphoramidate
Smiles: Clc1ccc(c(c1)NP(=O)(Oc1ccccc1F)Oc1ccccc1F)C

STK526280
Synonyms: 2,4- bis(benzylsulfanyl)- 7- methyl- 5,6,7,8- tetrahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidine
Smiles: CN1CCc2c(C1)sc1c2c(SCc2ccccc2)nc(n1)SCc1ccccc1

STK526282
Synonyms: ethyl(2Z)- 2- [2- (7- bromo- 2,3- dihydro- 1,4- benzodioxin- 6- yl)hydrazinylidene]- 5- (1,3- dioxo- 1,3- dihydro- 2H- isoindol- 2- yl)pentanoate
Smiles: CCOC(=O)/C(=N\Nc1cc2OCCOc2cc1Br)/CCCN1C(=O)c2c(C1=O)cccc2

STK526287
Synonyms: N- (4- iodophenyl)- 2- {[6- methyl- 4- (trifluoromethyl)pyridin- 2- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)I)CSc1nc(C)cc(c1)C(F)(F)F

STK526289
Synonyms: N- (2,6- dimethoxypyrimidin- 4- yl)- 4- {[(E)- 1H- indol- 3- ylmethylidene]amino}benzenesulfonamide
Smiles: COc1nc(OC)nc(c1)NS(=O)(=O)c1ccc(cc1)/N=C/c1c[nH]c2c1cccc2

STK526294
Synonyms: 6- {[(2- ethoxyphenyl)carbonyl]amino}hexanoicacid
Smiles: CCOc1ccccc1C(=O)NCCCCCC(=O)O

STK526295
Synonyms: N,N'- bis(3- chlorophenyl)- 1,4,10,13- tetraoxa- 7,16- diazacyclooctadecane- 7,16- dicarboxamide
Smiles: Clc1cccc(c1)NC(=O)N1CCOCCOCCN(CCOCCOCC1)C(=O)Nc1cccc(c1)Cl

STK526296
Synonyms: N,N- diethyl- N'- (5- ethyl- 2,2- dimethyl- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- yl)ethane- 1,2- diamine
Smiles: CCN(CCNc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)CC)CC

STK526299
Synonyms: N- butyl- N,5- diethyl- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinolin- 8- amine
Smiles: CCCCN(c1ncnc2c1sc1c2c2CCCCc2c(n1)CC)CC

STK526300
Synonyms: 2- [(2- oxo- 2- phenylethyl)sulfanyl]- 6- (tricyclo[3.3.1.1~3,7~]dec- 1- yl)pyridine- 3- carbonitrile
Smiles: N#Cc1ccc(nc1SCC(=O)c1ccccc1)C12CC3CC(C2)CC(C1)C3

STK526301
Synonyms: N'- (5- ethyl- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinolin- 8- yl)- N,N- dimethylethane- 1,2- diamine
Smiles: CCc1nc2sc3c(c2c2c1CCCC2)ncnc3NCCN(C)C

STK526302
Synonyms: 6,6- dimethyl- 2- [(3- methylbutyl)sulfanyl]- 3- (2- methylprop- 2- en- 1- yl)- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: CC(=C)Cn1c(SCCC(C)C)nc2c(c1=O)c1CC(C)(C)OCc1s2

STK526306
Synonyms: (1S,2S,3aR)- 7- chloro- 2- (4- methoxyphenyl)- 1- (phenylcarbonyl)- 1,2- dihydropyrrolo[1,2- a]quinoline- 3,3(3aH)- dicarbonitrile
Smiles: COc1ccc(cc1)[C@@H]1[C@@H](C(=O)c2ccccc2)N2[C@@H](C1(C#N)C#N)C=Cc1c2ccc(c1)Cl

STK526307
Synonyms: N- (4- bromophenyl)- 2- (6- methyl- 1- benzofuran- 3- yl)acetamide
Smiles: O=C(Cc1coc2c1ccc(c2)C)Nc1ccc(cc1)Br

STK526308
Synonyms: 2,2- dibromo- N'- (2- bromo- 3- methylbutanoyl)- 1- methylcyclopropanecarbohydrazide
Smiles: BrC(C(=O)NNC(=O)C1(C)CC1(Br)Br)C(C)C

STK526309
Synonyms: 2,2'- [benzene- 1,4- diylbis(iminomethylylidene)]bis(5,5- dimethylcyclohexane- 1,3- dione)
Smiles: O=C1CC(C)(C)CC(=O)C1=CNc1ccc(cc1)NC=C1C(=O)CC(CC1=O)(C)C

STK526313
Synonyms: N,N- dimethyl- 6- [2- (piperidin- 1- yl)ethoxy]- 1,3- benzothiazol- 2- amine
Smiles: CN(c1nc2c(s1)cc(cc2)OCCN1CCCCC1)C

STK526314
Synonyms: 4- amino- N'- [(E)- (3,4- dimethoxyphenyl)methylidene]- 1,2,5- oxadiazole- 3- carbohydrazide
Smiles: COc1cc(/C=N/NC(=O)c2nonc2N)ccc1OC

STK526319
Synonyms: 3- chloro- 1- propyl- 5,6,7,8- tetrahydroisoquinoline- 4- carbonitrile
Smiles: CCCc1nc(Cl)c(c2c1CCCC2)C#N

STK526320
Synonyms: 1- {2- [(3- chloro- 4- propoxybenzyl)sulfanyl]ethyl}- 3- phenylthiourea
Smiles: CCCOc1ccc(cc1Cl)CSCCNC(=S)Nc1ccccc1

STK526322
Synonyms: 4- cyclohexyl- 1- [(3- methylbutyl)sulfanyl]- 6,7,8,9- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: CC(CCSc1nnc2n1c1sc3c(c1c(=O)n2C1CCCCC1)CCCC3)C

STK526323
Synonyms: 2- [(Z)- (9H- fluoren- 9- ylidenehydrazinylidene)methyl]- 4- nitrophenol
Smiles: Oc1ccc(cc1/C=N\N=C\1/c2ccccc2c2c1cccc2)[N+](=O)[O-]

STK526325
Synonyms: 6- chloro- 3,3- dimethyl- 8- (propan- 2- yl)- 3,4- dihydro- 1H- pyrano[3,4- c]pyridine- 5- carbonitrile
Smiles: N#Cc1c(Cl)nc(c2c1CC(C)(C)OC2)C(C)C

STK526328
Synonyms: 4- (2- methoxyphenyl)- 1- (pentylsulfanyl)- 4H- spiro[benzo[h][1,2,4]triazolo[4,3- a]quinazoline- 6,1'- cyclohexan]- 5(7H)- one
Smiles: CCCCCSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2c1ccccc1OC)CCCCC3

STK526329
Synonyms: 5- (1,3- benzodioxol- 5- ylmethylidene)- 1,3- diphenylpyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: O=C1N(c2ccccc2)C(=O)/C(=C/c2ccc3c(c2)OCO3)/C(=O)N1c1ccccc1

STK526330
Synonyms: 8- (furan- 2- yl)- 3,3- dimethyl- 6- [4- (phenylcarbonyl)piperazin- 1- yl]- 3,4- dihydro- 1H- thiopyrano[3,4- c]pyridine- 5- carbonitrile
Smiles: N#Cc1c(nc(c2c1CC(C)(C)SC2)c1ccco1)N1CCN(CC1)C(=O)c1ccccc1

STK526331
Synonyms: 5- (propan- 2- yl)- 6,7,8,9- tetrahydro- 3H- pyrazolo[3,4- c]isoquinolin- 1- amine
Smiles: CC(c1nc2[nH]nc(c2c2c1CCCC2)N)C

STK526332
Synonyms: 1,7- bis(3,4,5- trichlorothiophen- 2- yl)heptane- 1,7- dione
Smiles: O=C(c1sc(c(c1Cl)Cl)Cl)CCCCCC(=O)c1sc(c(c1Cl)Cl)Cl

STK526334
Synonyms: bis[2- (dimethylamino)phenyl]methanone
Smiles: O=C(c1ccccc1N(C)C)c1ccccc1N(C)C

STK526335
Synonyms: [(3- benzyl- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl)sulfanyl]acetonitrile
Smiles: N#CCSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccccc1)CCCCC3

STK526336
Synonyms: 4- {[6- (1,3- dioxo- 1,3- dihydro- 2H- isoindol- 2- yl)hexyl]amino}- 2- methyl- 1H- isoindole- 1,3(2H)- dione
Smiles: O=C1c2cccc(c2C(=O)N1C)NCCCCCCN1C(=O)c2c(C1=O)cccc2

STK526337
Synonyms: diethyl{(1E)- 2- amino- N- [(diphenylacetyl)oxy]- 2- oxoethanimidoyl}phosphonate
Smiles: CCOP(=O)(/C(=N/OC(=O)C(c1ccccc1)c1ccccc1)/C(=O)N)OCC

STK526340
Synonyms: 2- [(9,10- dioxo- 9,10- dihydroanthracen- 2- yl)carbamoyl]benzoicacid
Smiles: O=C(c1ccccc1C(=O)O)Nc1ccc2c(c1)C(=O)c1c(C2=O)cccc1

STK526342
Synonyms: (1E)- (2,4,7- trinitro- 9H- fluoren- 9- ylidene)hydrazine
Smiles: N/N=C/1\c2cc(ccc2c2c1cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

STK526343
Synonyms: propan- 2- yl6- amino- 4- (2- chlorophenyl)- 5- cyano- 2- {[(3- cyano- 4,6- dimethylpyridin- 2- yl)sulfanyl]methyl}- 4H- pyran- 3- carboxylate
Smiles: N#CC1=C(N)OC(=C(C1c1ccccc1Cl)C(=O)OC(C)C)CSc1nc(C)cc(c1C#N)C

STK526348
Synonyms: N- [3- cyano- 1- (2- phenylethyl)- 1H- pyrrolo[2,3- b]quinoxalin- 2- yl]acetamide
Smiles: N#Cc1c2nc3ccccc3nc2n(c1NC(=O)C)CCc1ccccc1

STK526349
Synonyms: 1- {[2- (4- chlorophenyl)- 2- oxoethyl]sulfanyl}- 7- ethyl- 7- methyl- 4- phenyl- 6,9- dihydro- 7H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: CCC1(C)OCc2c(C1)c1c(=O)n(c3ccccc3)c3n(c1s2)c(SCC(=O)c1ccc(cc1)Cl)nn3

STK526350
Synonyms: 6- (hexylamino)- 3,3- dimethyl- 8- (propan- 2- yl)- 3,4- dihydro- 1H- pyrano[3,4- c]pyridine- 5- carbonitrile
Smiles: CCCCCCNc1nc(C(C)C)c2c(c1C#N)CC(OC2)(C)C

STK526351
Synonyms: 1,8,10,17- tetramethyl- 3,6,12,15- tetraazapentacyclo[13.3.1.1~3,17~.1~6,10~.1~8,12~]docosane- 4,9,14,18- tetrone
Smiles: O=C1CN2CC3(C)CN(CC(C2)(C3=O)C)CC(=O)N2CC3(CN1CC(C3=O)(C)C2)C

STK526352
Synonyms: 4- (3- methylphenyl)- 1- [(2- phenylethyl)sulfanyl]- 4H- spiro[benzo[h][1,2,4]triazolo[4,3- a]quinazoline- 6,1'- cyclohexan]- 5(7H)- one
Smiles: Cc1cccc(c1)n1c2nnc(n2c2c(c1=O)C1(CCCCC1)Cc1c2cccc1)SCCc1ccccc1

STK526353
Synonyms: ethyl(2Z)- 2- (1- acetyl- 2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene)- 7- methyl- 5- (3- nitrophenyl)- 3- oxo- 2,3- dihydro- 5H- [1,3]thiazolo[3,2- a]pyrimidine- 6- carboxylate
Smiles: CCOC(=O)C1=C(C)N=c2n(C1c1cccc(c1)[N+](=O)[O-])c(=O)/c(=C/1\c3ccccc3N(C1=O)C(=O)C)/s2

STK526355
Synonyms: [1- amino- 8,8- dimethyl- 5- (morpholin- 4- yl)- 8,9- dihydro- 6H- thieno[2,3- b]thiopyrano[4,3- d]pyridin- 2- yl](phenyl)methanone
Smiles: O=C(c1sc2c(c1N)c1CC(C)(C)SCc1c(n2)N1CCOCC1)c1ccccc1

STK526359
Synonyms: ethyl6- amino- 5- cyano- 2- {[(3- cyano- 6- phenylpyridin- 2- yl)sulfanyl]methyl}- 4- [4- (methylsulfanyl)phenyl]- 4H- pyran- 3- carboxylate
Smiles: CCOC(=O)C1=C(CSc2nc(ccc2C#N)c2ccccc2)OC(=C(C1c1ccc(cc1)SC)C#N)N

STK526360
Synonyms: N',N''- (1E)- eth- 1- yl- 1- ylidenebis(3- chloro- 1- benzothiophene- 2- carbohydrazide)
Smiles: C/C(=N\NC(=O)c1sc2c(c1Cl)cccc2)/NNC(=O)c1sc2c(c1Cl)cccc2

STK526361
Synonyms: N- [(2Z)- 2- (hydroxyimino)- 2- (thiophen- 2- yl)ethyl]- N- {(Z)- [2- (trifluoromethyl)phenyl]methylidene}amineoxide
Smiles: O/N=C(\c1cccs1)/C/[N+](=C/c1ccccc1C(F)(F)F)/[O-]

STK526362
Synonyms: 3- (benzylsulfanyl)- 5- (methylsulfanyl)- 9,10- dihydro- 8H- cyclopenta[4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CSc1nc2sc3c(c2c2n1c(SCc1ccccc1)nn2)CCC3

STK526363
Synonyms: 2,4- bis(azepan- 1- ylmethyl)- 1,5- bis(4- methoxyphenyl)pentane- 1,5- dione
Smiles: COc1ccc(cc1)C(=O)C(CN1CCCCCC1)CC(C(=O)c1ccc(cc1)OC)CN1CCCCCC1

STK526364
Synonyms: 2- [(3- benzyl- 7- tert- butyl- 4- oxo- 3,4,5,6,7,8- hexahydro[1]benzothieno[2,3- d]pyrimidin- 2- yl)sulfanyl]acetamide
Smiles: NC(=O)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCC(C3)C(C)(C)C

STK526365
Synonyms: 2- [(E)- (5- methyl- 2- oxo- 1- propyl- 1,2- dihydro- 3H- indol- 3- ylidene)methyl]- 3- (3- methylphenyl)quinazolin- 4(3H)- one
Smiles: CCCN1c2ccc(cc2/C(=C\c2nc3ccccc3c(=O)n2c2cccc(c2)C)/C1=O)C

STK526367
Synonyms: 2,4- di- tert- butyl- 6- {[(E)- (2- hydroxy- 3- methoxyphenyl)methylidene]amino}phenol
Smiles: COc1cccc(c1O)/C=N/c1cc(cc(c1O)C(C)(C)C)C(C)(C)C

STK526369
Synonyms: 3- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 7- (propan- 2- yloxy)- 2- (trifluoromethyl)- 4H- chromen- 4- one
Smiles: CC(Oc1ccc2c(c1)oc(c(c2=O)c1ccc2c(c1)OCCO2)C(F)(F)F)C

STK526370
Synonyms: N- {(E)- [4- (3,5- diphenyl- 4,5- dihydro- 1H- pyrazol- 1- yl)phenyl]methylidene}- 1- phenylethanamine
Smiles: CC(c1ccccc1)/N=C/c1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccccc1

STK526371
Synonyms: 3- (cyclohexylmethyl)- 2- [(2- hydroxyethyl)amino]- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: OCCNc1nc2c3ccccc3CC3(c2c(=O)n1CC1CCCCC1)CCCC3

STK526372
Synonyms: 3- chloro- 7- cyclohexyl- 1- (prop- 2- en- 1- ylamino)- 5,6,7,8- tetrahydro- 2,7- naphthyridine- 4- carbonitrile
Smiles: C=CCNc1nc(Cl)c(c2c1CN(CC2)C1CCCCC1)C#N

STK526373
Synonyms: 7- benzyl- 2- [(4- chlorobenzyl)sulfanyl]- 3- (4- methoxyphenyl)- 5,6,7,8- tetrahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: COc1ccc(cc1)n1c(SCc2ccc(cc2)Cl)nc2c(c1=O)c1CCN(Cc1s2)Cc1ccccc1

STK526375
Synonyms: 1- benzyl- 2- [(2E)- 2- {[(E)- (2- methylphenyl)diazenyl]methylidene}hydrazinyl]- 1H- benzimidazole
Smiles: Cc1ccccc1/N=N/C=N/Nc1nc2c(n1Cc1ccccc1)cccc2

STK526376
Synonyms: 3- bromo- N- [3- cyano- 1- (2- phenylethyl)- 1H- pyrrolo[2,3- b]quinoxalin- 2- yl]benzamide
Smiles: N#Cc1c(NC(=O)c2cccc(c2)Br)n(c2c1nc1ccccc1n2)CCc1ccccc1

STK526377
Synonyms: 8- butyl- 3,3- dimethyl- 6- [4- (phenylcarbonyl)piperazin- 1- yl]- 3,4- dihydro- 1H- thiopyrano[3,4- c]pyridine- 5- carbonitrile
Smiles: CCCCc1nc(N2CCN(CC2)C(=O)c2ccccc2)c(c2c1CSC(C2)(C)C)C#N

STK526378
Synonyms: ethyl6- amino- 2- ({[4- (4- chlorophenyl)- 3- cyano- 6- (thiophen- 2- yl)pyridin- 2- yl]sulfanyl}methyl)- 5- cyano- 4- (pyridin- 3- yl)- 4H- pyran- 3- carboxylate
Smiles: CCOC(=O)C1=C(CSc2nc(cc(c2C#N)c2ccc(cc2)Cl)c2cccs2)OC(=C(C1c1cccnc1)C#N)N

STK526380
Synonyms: N- (4- chlorophenyl)- 2- {[5- (diphenylmethyl)- 4- hydroxy- 6- oxo- 1,6- dihydropyrimidin- 2- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)Cl)CSc1nc(O)c(c(=O)[nH]1)C(c1ccccc1)c1ccccc1

STK526381
Synonyms: (2R,3R,10bS)- 3- (2,2- dimethylpropanoyl)- 2- (3- fluorophenyl)- 2,3- dihydropyrrolo[2,1- a]isoquinoline- 1,1(10bH)- dicarbonitrile
Smiles: N#CC1(C#N)[C@@H](c2cccc(c2)F)[C@@H](N2[C@H]1c1ccccc1C=C2)C(=O)C(C)(C)C

STK526382
Synonyms: 2- iodoethyl(4- methylphenyl)carbamate
Smiles: ICCOC(=O)Nc1ccc(cc1)C

STK526384
Synonyms: 3- hydroxy- 1- propyl- 5,6,7,8- tetrahydroisoquinoline- 4- carbonitrile
Smiles: CCCc1nc(O)c(c2c1CCCC2)C#N

STK526386
Synonyms: 6- (4- bromophenyl)- 2- phenoxy- 4- phenyl- 1,4- dihydropyridine- 3- carbonitrile
Smiles: N#CC1=C(Oc2ccccc2)NC(=CC1c1ccccc1)c1ccc(cc1)Br

STK526388
Synonyms: 4- (2- {[(1E)- 6- phenyl- 2,3,4,9- tetrahydro- 1H- carbazol- 1- ylidene]amino}ethyl)phenol
Smiles: Oc1ccc(cc1)CC/N=C/1\CCCc2c1[nH]c1c2cc(cc1)c1ccccc1

STK526389
Synonyms: methyl(2R,3S)- 2,3- dimethyl- 2,3- diphenylaziridine- 1- carboxylate
Smiles: COC(=O)N1[C@]([C@]1(C)c1ccccc1)(C)c1ccccc1

STK526392
Synonyms: 2- {(E)- [(2- hydroxyphenyl)imino]methyl}cyclopent- 1- ene- 1- carbonitrile
Smiles: N#CC1=C(CCC1)/C=N/c1ccccc1O

STK526393
Synonyms: 3- (diethylamino)propyldiphenyl(propan- 2- yloxy)acetate
Smiles: CCN(CCCOC(=O)C(c1ccccc1)(c1ccccc1)OC(C)C)CC

STK526395
Synonyms: 2- {[2- (4- chlorophenyl)- 2- oxoethyl]sulfanyl}- 3- (cyclohexylmethyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: Clc1ccc(cc1)C(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1CC1CCCCC1)CCCCC3

STK526397
Synonyms: diethyl5- {[(5- bromo- 2- {[(4- chlorophenyl)sulfonyl]amino}phenyl)carbonyl]amino}- 3- methylthiophene- 2,4- dicarboxylate
Smiles: CCOC(=O)c1c(NC(=O)c2cc(Br)ccc2NS(=O)(=O)c2ccc(cc2)Cl)sc(c1C)C(=O)OCC

STK526398
Synonyms: ethyl5- bromo- 3- [(N,N- dimethylglycyl)amino]- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CN(C)C)cc(cc2)Br

STK526399
Synonyms: 2,4- dibromo- 6- {(E)- [(4- phenyl- 1- {[(1E)- 1- phenylethylidene]amino}- 1H- imidazol- 2- yl)imino]methyl}phenol
Smiles: Brc1cc(/C=N/c2nc(cn2/N=C(/c2ccccc2)\C)c2ccccc2)c(c(c1)Br)O

STK526401
Synonyms: ethyl6- amino- 4- (4- chlorophenyl)- 5- cyano- 2- {[(3- cyano- 6- methyl- 5,6,7,8- tetrahydro- 1,6- naphthyridin- 2- yl)sulfanyl]methyl}- 4H- pyran- 3- carboxylate
Smiles: CCOC(=O)C1=C(CSc2nc3CCN(Cc3cc2C#N)C)OC(=C(C1c1ccc(cc1)Cl)C#N)N

STK526405
Synonyms: bis(2,3- dimethylphenyl)(3- methoxyphenyl)phosphoramidate
Smiles: COc1cccc(c1)NP(=O)(Oc1cccc(c1C)C)Oc1cccc(c1C)C

STK526406
Synonyms: ethyl1- amino- 8,8- dimethyl- 5- (piperidin- 1- yl)- 8,9- dihydro- 6H- pyrano[4,3- d]thieno[2,3- b]pyridine- 2- carboxylate
Smiles: CCOC(=O)c1sc2c(c1N)c1CC(C)(C)OCc1c(n2)N1CCCCC1

STK526407
Synonyms: [3- (4- bromophenyl)- 1- methylaziridin- 2- yl](phenyl)methanone
Smiles: CN1C(C1C(=O)c1ccccc1)c1ccc(cc1)Br

STK526408
Synonyms: 3- methoxypyridin- 2(1H)- one
Smiles: COc1ccc[nH]c1=O

STK526409
Synonyms: 3,9- bis(2- methoxyphenyl)- 2,4,8,10- tetraoxaspiro[5.5]undecane
Smiles: COc1ccccc1C1OCC2(CO1)COC(OC2)c1ccccc1OC

STK526410
Synonyms: 2,3,6,7,8,9- hexahydro- 5H- [1]benzothieno[2,3- d][1,3]thiazolo[3,2- a]pyrimidin- 5- one
Smiles: O=c1c2c(sc3c2CCCC3)nc2n1CCS2

STK526411
Synonyms: N,N- diethyl- 2,2- dimethyl- 5- (morpholin- 4- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d][1,2,3]triazin- 8- amine
Smiles: CCN(c1nnnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1)CC

STK526413
Synonyms: 3- chloro- 1- (propan- 2- yl)- 5,6,7,8- tetrahydroisoquinoline- 4- carbonitrile
Smiles: N#Cc1c(Cl)nc(c2c1CCCC2)C(C)C

STK526414
Synonyms: ethyl2- {[(2E)- 2- cyano- 3- (4- hydroxyphenyl)prop- 2- enoyl]amino}- 4- phenylthiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(scc1c1ccccc1)NC(=O)/C(=C/c1ccc(cc1)O)/C#N

STK526416
Synonyms: tert- butyl{[3- cyano- 4- (thiophen- 2- yl)- 5,6,7,8- tetrahydroquinolin- 2- yl]sulfanyl}acetate
Smiles: N#Cc1c(SCC(=O)OC(C)(C)C)nc2c(c1c1cccs1)CCCC2

STK526417
Synonyms: 7- methyl- 3- (piperidin- 1- yl)- 1- (pyrrolidin- 1- yl)- 5,6,7,8- tetrahydro- 2,7- naphthyridine- 4- carbonitrile
Smiles: N#Cc1c(nc(c2c1CCN(C2)C)N1CCCC1)N1CCCCC1

STK526418
Synonyms: N- (prop- 2- en- 1- yl)- 2- (3,6,6- trimethyl- 4- oxo- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl)hydrazinecarbothioamide
Smiles: C=CCNC(=S)NNc1nc2sc3c(c2c(=O)n1C)CC(OC3)(C)C

STK526421
Synonyms: 4- amino- 5- (4- ethoxybenzyl)pyrimidine- 2- thiol
Smiles: CCOc1ccc(cc1)Cc1cnc(nc1N)S

STK526422
Synonyms: (5Z)- 5- {3- [(1,3- dioxo- 1,3- dihydro- 2H- isoindol- 2- yl)methyl]- 4- methoxybenzylidene}- 1- (prop- 2- en- 1- yl)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: C=CCN1C(=O)NC(=O)/C(=C/c2ccc(c(c2)CN2C(=O)c3c(C2=O)cccc3)OC)/C1=O

STK526423
Synonyms: 5'- bromo- N- ethyl- 2'- oxospiro[1,3- dioxolane- 2,3'- indole]- 1'(2'H)- carboxamide
Smiles: CCNC(=O)N1c2ccc(cc2C2(C1=O)OCCO2)Br

STK526424
Synonyms: 1- (4- butoxyphenyl)- 2- phenyl- 3- (pyrrolidin- 1- yl)propan- 1- ol
Smiles: CCCCOc1ccc(cc1)C(C(c1ccccc1)CN1CCCC1)O

STK526425
Synonyms: 4- (2- methoxyphenyl)- 2- {[2- (4- methoxyphenyl)- 2- oxoethyl]sulfanyl}- 6- (thiophen- 2- yl)pyridine- 3- carbonitrile
Smiles: COc1ccc(cc1)C(=O)CSc1nc(cc(c1C#N)c1ccccc1OC)c1cccs1

STK526428
Synonyms: N'- (6,6- dimethyl- 4- oxo- 3- phenyl- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl)- 2- phenylacetohydrazide
Smiles: O=C(Cc1ccccc1)NNc1nc2sc3c(c2c(=O)n1c1ccccc1)CC(OC3)(C)C

STK526429
Synonyms: 7- benzyl- 3- chloro- 1- [(2- phenylethyl)amino]- 5,6,7,8- tetrahydro- 2,7- naphthyridine- 4- carbonitrile
Smiles: N#Cc1c(Cl)nc(c2c1CCN(C2)Cc1ccccc1)NCCc1ccccc1

STK526430
Synonyms: 8- butyl- 3,3- dimethyl- 6- [(1- phenylpropan- 2- yl)amino]- 3,4- dihydro- 1H- thiopyrano[3,4- c]pyridine- 5- carbonitrile
Smiles: CCCCc1nc(NC(Cc2ccccc2)C)c(c2c1CSC(C2)(C)C)C#N

STK526431
Synonyms: ethyl5- {[(4- methylphenyl)sulfonyl]oxy}- 2- (morpholin- 4- ylmethyl)- 1- phenyl- 1H- indole- 3- carboxylate
Smiles: CCOC(=O)c1c2cc(ccc2n(c1CN1CCOCC1)c1ccccc1)OS(=O)(=O)c1ccc(cc1)C

STK526433
Synonyms: N- hexyl- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4- amine
Smiles: CCCCCCNc1ncnc2c1c1CCCCc1s2

STK526437
Synonyms: 2,4- dibromo- 6- [(E)- {[1- {[(E)- (2,4- dichlorophenyl)methylidene]amino}- 4- (4- methoxyphenyl)- 1H- imidazol- 2- yl]imino}methyl]phenol
Smiles: COc1ccc(cc1)c1nc(n(c1)/N=C/c1ccc(cc1Cl)Cl)/N=C/c1cc(Br)cc(c1O)Br

STK526438
Synonyms: N'- [(2,2- dichloro- 1- methylcyclopropyl)carbonyl]cyclohexanecarbohydrazide
Smiles: O=C(C1CCCCC1)NNC(=O)C1(C)CC1(Cl)Cl

STK526440
Synonyms: difluoro{[2- (hydroxy- kappaO)- 4- methylphenyl](4- methoxyphenyl)methanonato- kappaO}boron
Smiles: COc1ccc(cc1)C1=[O+][B-](F)(F)Oc2c1ccc(c2)C

STK526441
Synonyms: N- [1- (3,4- dimethoxyphenyl)ethyl]- N- methyl- 3,3- diphenylpropan- 1- amine
Smiles: COc1cc(ccc1OC)C(N(CCC(c1ccccc1)c1ccccc1)C)C

STK526442
Synonyms: N- (1- butyl- 3- cyano- 1H- pyrrolo[2,3- b]quinoxalin- 2- yl)- 4- chlorobenzamide
Smiles: CCCCn1c2nc3ccccc3nc2c(c1NC(=O)c1ccc(cc1)Cl)C#N

STK526443
Synonyms: [3- amino- 6- (tricyclo[3.3.1.1~3,7~]dec- 1- yl)thieno[2,3- b]pyridin- 2- yl](4- methoxyphenyl)methanone
Smiles: COc1ccc(cc1)C(=O)c1sc2c(c1N)ccc(n2)C12CC3CC(C2)CC(C1)C3

STK526444
Synonyms: ethyl1- amino- 5- (furan- 2- yl)- 6,7,8,9- tetrahydrothieno[2,3- c]isoquinoline- 2- carboxylate
Smiles: CCOC(=O)c1sc2c(c1N)c1CCCCc1c(n2)c1ccco1

STK526445
Synonyms: N- butyl- 5- ethyl- 2,2- dimethyl- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- amine
Smiles: CCCCNc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)CC

STK526446
Synonyms: 2- (2- methylphenyl)- 4- phenylphthalazin- 1(2H)- one
Smiles: Cc1ccccc1n1nc(c2ccccc2)c2c(c1=O)cccc2

STK526450
Synonyms: 4- amino- 3- (4- methoxyphenyl)- 4- oxobutanoicacid
Smiles: COc1ccc(cc1)C(C(=O)N)CC(=O)O

STK526451
Synonyms: 5'- cyano- 6'- [(3- methoxybenzyl)sulfanyl]- 2'- methyl- N- phenyl- 1',4'- dihydro- 3,4'- bipyridine- 3'- carboxamide
Smiles: N#CC1=C(SCc2cccc(c2)OC)NC(=C(C1c1cccnc1)C(=O)Nc1ccccc1)C

STK526454
Synonyms: (3E)- 1- (4- chlorobutyl)- 3- (hydroxyimino)- 1,3- dihydro- 2H- indol- 2- one
Smiles: ClCCCCN1c2ccccc2/C(=N\O)/C1=O

STK526455
Synonyms: 2- [(2- methylacryloyl)oxy]ethyl6- amino- 4- (3- chlorophenyl)- 5- cyano- 2- methyl- 4H- pyran- 3- carboxylate
Smiles: N#CC1=C(N)OC(=C(C1c1cccc(c1)Cl)C(=O)OCCOC(=O)C(=C)C)C

STK526456
Synonyms: methyl(2Z)- 2- (1- butyl- 2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene)- 5- (2- chlorophenyl)- 7- methyl- 3- oxo- 2,3- dihydro- 5H- [1,3]thiazolo[3,2- a]pyrimidine- 6- carboxylate
Smiles: CCCCN1c2ccccc2/C(=c\2/sc3=NC(=C(C(n3c2=O)c2ccccc2Cl)C(=O)OC)C)/C1=O

STK526457
Synonyms: 3- (benzylamino)- 7- ethyl- 1- [(2- hydroxyethyl)amino]- 5,6,7,8- tetrahydro- 2,7- naphthyridine- 4- carbonitrile
Smiles: OCCNc1nc(NCc2ccccc2)c(c2c1CN(CC)CC2)C#N