COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION

QUICK SEARCH

FULL DB

Total number of items: 1549096
Total number of pages: 1550 ( 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, 1542, 1543, 1544, 1545, 1546, 1547, 1548, 1549, 1550,

Prev 960 961 962 963 964 965 966 967 968 969 Next

STL049848
Synonyms: (8aR)- 7- [2- (3- fluorophenyl)ethyl]tetrahydro[1,3]thiazolo[3,4- a]pyrazine- 5,8- dione
Smiles: Fc1cccc(c1)CCN1CC(=O)N2[C@H](C1=O)CSC2

STL049853
Synonyms: (2Z)- 3- (4- chlorophenyl)- 2- [(3- methyl- 1H- 1,2,4- triazol- 4- ium- 5- yl)sulfanyl]prop- 2- enoate
Smiles: Clc1ccc(cc1)/C=C(/C(=O)[O-])\Sc1[nH]nc([nH+]1)C

STL049854
Synonyms: (3S,3a'R,8a'S,8b'S)- 2'- (2- chloro- 4- nitrophenyl)- 5,7- dimethyl- 3a',6',7',8',8a',8b'- hexahydro- 1'H- spiro[indole- 3,4'- pyrrolo[3,4- a]pyrrolizine]- 1',2,3'(1H,2'H)- trione
Smiles: Cc1cc(C)c2c(c1)[C@@]1(C(=O)N2)N2CCC[C@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1Cl)[N+](=O)[O-]

STL049865
Synonyms: 1- (4- hydroxy- 1H- 1,5- benzodiazepin- 2- yl)propan- 2- one
Smiles: CC(=O)CC1=CC(=Nc2c(N1)cccc2)O

STL049866
Synonyms: [1- (2- amino- 2- oxoethyl)cyclohexyl]aceticacid
Smiles: NC(=O)CC1(CCCCC1)CC(=O)O

STL049868
Synonyms: N- {[2- (2- fluorophenyl)ethyl]carbamoyl}- L- leucine
Smiles: CC(C[C@@H](C(=O)O)NC(=O)NCCc1ccccc1F)C

STL049871
Synonyms:
Smiles: CCC([C@@H](c1nnc(o1)SCc1c(C)[nH]c(=O)[nH]c1=O)N)C

STL049873
Synonyms: (5Z)- 1- [2- (3,4- dimethoxyphenyl)ethyl]- 2,6- dioxo- 5- [(piperidinium- 1- ylamino)methylidene]- 1,2,5,6- tetrahydropyrimidin- 4- olate
Smiles: COc1ccc(cc1OC)CCN1C(=O)N=C(/C(=C/N[NH+]2CCCCC2)/C1=O)[O-]

STL049877
Synonyms: 3- (4- fluorophenyl)- 1- {2- [(3- methylphenyl)amino]- 2- oxoethyl}- 1,5,6,7- tetrahydropyrrolo[1,2- a]imidazol- 4- ium
Smiles: O=C(Cn1cc([n+]2c1CCC2)c1ccc(cc1)F)Nc1cccc(c1)C

STL049879
Synonyms: 3- (4- methoxyphenyl)- 4,5- diphenyl- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: COc1ccc(cc1)c1[nH]nc2c1C(c1ccccc1)N(C2=O)c1ccccc1

STL049897
Synonyms: N'- {(E)- [5- (2- methyl- 3- nitrophenyl)furan- 2- yl]methylidene}- 2- (4- nitro- 1H- pyrazol- 1- yl)acetohydrazide
Smiles: O=C(Cn1ncc(c1)[N+](=O)[O-])N/N=C/c1ccc(o1)c1cccc(c1C)[N+](=O)[O-]

STL049908
Synonyms: (4- {(Z)- [2- (2- cyclohexylethyl)- 5- iminio- 7- oxo- 5H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 6(7H)- ylidene]methyl}phenoxy)acetate
Smiles: [O-]C(=O)COc1ccc(cc1)/C=C/1\C(=O)N=c2n(C1=[NH2+])nc(s2)CCC1CCCCC1

STL049910
Synonyms: 6- [(2,6- dichlorobenzyl)sulfanyl]- 7H- purin- 2- amine
Smiles: Nc1nc(SCc2c(Cl)cccc2Cl)c2c(n1)nc[nH]2

STL049918
Synonyms: 2- [4- (4- chloro- 3- methylphenoxy)quinazolin- 1- ium- 2- yl]phenolate
Smiles: [O-]c1ccccc1c1nc(Oc2ccc(c(c2)C)Cl)c2c([nH+]1)cccc2

STL049925
Synonyms: 3- (3- methoxyphenyl)- 6,7- diphenyl- 4,8- dihydroimidazo[2,1- c][1,2,4]triazine
Smiles: COc1cccc(c1)C1=NN=c2n(C1)c(c1ccccc1)c([nH]2)c1ccccc1

STL049928
Synonyms: (4Z)- 6- {[cyclohexyl(methyl)amino]methyl}- 4- [(2- methoxyphenyl)imino]- 4,5- dihydro- 1,3,5- triazin- 2- amine
Smiles: COc1ccccc1/N=c/1\nc(N)nc([nH]1)CN(C1CCCCC1)C

STL049929
Synonyms: 1- (2,2- dimethyltetrahydro- 2H- pyran- 4- yl)- 4- (2- ethoxyphenyl)- 4,6- dihydro- 1H- pyrazolo[3,4- e][1,4]thiazepine- 3,7- diol
Smiles: CCOc1ccccc1C1SCC(=Nc2c1c(O)nn2C1CCOC(C1)(C)C)O

STL049931
Synonyms: 2- methyl- 6- ({6- methyl- 2- [(6- oxo- 1,6- dihydropyridazin- 3- yl)oxy]pyrimidin- 4- yl}oxy)pyridazin- 3(2H)- one
Smiles: Cc1cc(nc(n1)Oc1ccc(=O)[nH]n1)Oc1ccc(=O)n(n1)C

STL049932
Synonyms: 2- (4- chlorophenoxy)- N- [(2Z)- 5- (furan- 2- yl)- 1,3,4- thiadiazol- 2(3H)- ylidene]acetamide
Smiles: Clc1ccc(cc1)OCC(=O)/N=c\1/[nH]nc(s1)c1ccco1

STL049937
Synonyms: 1- [(2E)- 4- (2- bromophenyl)- 1,3- thiazol- 2(3H)- ylidene]- 3- phenylurea
Smiles: O=C(/N=c\1/scc([nH]1)c1ccccc1Br)Nc1ccccc1

STL049942
Synonyms: 8- [4- (diphenylmethyl)piperazin- 1- yl]- 2,2- dimethyl- 10- (methylsulfanyl)- 5- (morpholin- 4- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidine
Smiles: CSc1nc(N2CCN(CC2)C(c2ccccc2)c2ccccc2)c2c(n1)c1c(s2)nc(c2c1CC(C)(C)OC2)N1CCOCC1

STL049967
Synonyms: (5E)- 1- (4- methylphenyl)- 2,6- dioxo- 5- {1- [(pyridinium- 3- ylmethyl)amino]propylidene}- 1,2,5,6- tetrahydropyrimidin- 4- olate
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccc(cc1)C)[O-])/NCc1ccc[nH+]c1

STL049968
Synonyms: N- [(2E)- 5- (3,4- dimethoxyphenyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]butanamide
Smiles: CCCC(=O)/N=c/1\[nH]nc(s1)c1ccc(c(c1)OC)OC

STL049974
Synonyms: 7- [(2Z)- 3- chlorobut- 2- en- 1- yl]- 6- hydroxy- 8- {[3- (1H- imidazol- 1- yl)propyl]amino}- 3- methyl- 3,7- dihydro- 2H- purin- 2- one
Smiles: C/C(=C/Cn1c(NCCCn2cncc2)nc2c1c(O)nc(=O)n2C)/Cl

STL049984
Synonyms: N- [(2E)- 5- [(4- fluorophenoxy)methyl]- 1,3,4- thiadiazol- 2(3H)- ylidene]- 2,2- dimethylpropanamide
Smiles: O=C(C(C)(C)C)/N=c/1\[nH]nc(s1)COc1ccc(cc1)F

STL049986
Synonyms: (5E)- 5- ({[3- chloro- 4- (morpholin- 4- yl)phenyl]amino}methylidene)- 3- (4- chlorophenyl)- 6- hydroxypyrimidine- 2,4(3H,5H)- dione
Smiles: Clc1ccc(cc1)N1C(=O)N=C(/C(=C\Nc2ccc(c(c2)Cl)N2CCOCC2)/C1=O)O

STL049987
Synonyms: N- [(2E)- 5- (3,4- dimethoxyphenyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]pentanamide
Smiles: CCCCC(=O)/N=c/1\[nH]nc(s1)c1ccc(c(c1)OC)OC

STL049989
Synonyms: 4- {[(E)- (2,4- dihydroxyphenyl)methylidene]amino}- 5- (5- phenyl- 1H- pyrazol- 3- yl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Oc1ccc(c(c1)O)/C=N/n1c(=S)[nH]nc1c1n[nH]c(c1)c1ccccc1

STL049992
Synonyms: (5E)- 1- (4- methoxyphenyl)- 2,6- dioxo- 5- {1- [(pyridinium- 3- ylmethyl)amino]propylidene}- 1,2,5,6- tetrahydropyrimidin- 4- olate
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccc(cc1)OC)[O-])/NCc1ccc[nH+]c1

STL049995
Synonyms: 4- (2- methylpiperidin- 1- yl)[1]benzofuro[3,2- d]pyrimidine
Smiles: CC1CCCCN1c1ncnc2c1oc1c2cccc1

STL049997
Synonyms: 4- [(2- {2- [(Z)- {4- hydroxy- 2,6- dioxo- 1- [4- (propan- 2- yl)phenyl]- 1,6- dihydropyrimidin- 5(2H)- ylidene}methyl]- 1H- indol- 3- yl}ethyl)amino]- 4- oxobutanoicacid
Smiles: O=C(CCC(=O)O)NCCc1c(/C=C\2/C(=NC(=O)N(C2=O)c2ccc(cc2)C(C)C)O)[nH]c2c1cccc2

STL050010
Synonyms: N- (4- nitrophenyl)- 2,3- dihydro- 1H- indole- 1- carboxamide
Smiles: O=C(N1CCc2c1cccc2)Nc1ccc(cc1)[N+](=O)[O-]

STL050017
Synonyms: methylN- [(3- chloro- 4- fluorophenyl)carbamoyl]- D- methioninate
Smiles: CSCC[C@H](C(=O)OC)NC(=O)Nc1ccc(c(c1)Cl)F

STL050023
Synonyms: 2- methyl- 8- (morpholin- 4- ium- 4- ylmethyl)- 4- oxo- 3- [4- (propoxycarbonyl)phenoxy]- 4H- chromen- 7- olate
Smiles: CCCOC(=O)c1ccc(cc1)Oc1c(C)oc2c(c1=O)ccc(c2C[NH+]1CCOCC1)[O-]

STL050026
Synonyms: 6- methoxy- 3- [5- (3- nitrophenyl)- 1,2,4- oxadiazol- 3- yl]quinolin- 2(1H)- one
Smiles: COc1ccc2c(c1)cc(c(=O)[nH]2)c1noc(n1)c1cccc(c1)[N+](=O)[O-]

STL050027
Synonyms: (3S,3a'R,8a'S,8b'S)- 6- chloro- 2'- (2- methoxy- 5- nitrophenyl)- 7- methyl- 3a',6',7',8',8a',8b'- hexahydro- 1'H- spiro[indole- 3,4'- pyrrolo[3,4- a]pyrrolizine]- 1',2,3'(1H,2'H)- trione
Smiles: COc1ccc(cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(N3[C@H]2CCC3)C(=O)Nc2c1ccc(c2C)Cl)[N+](=O)[O-]

STL050037
Synonyms: (4Z)- 6- [(4- benzylpiperidin- 1- yl)methyl]- 4- [(2- methoxyphenyl)imino]- 4,5- dihydro- 1,3,5- triazin- 2- amine
Smiles: COc1ccccc1/N=c/1\nc(N)nc([nH]1)CN1CCC(CC1)Cc1ccccc1

STL050051
Synonyms: 2- [4- (2,4- dichlorophenoxy)quinazolin- 1- ium- 2- yl]phenolate
Smiles: Clc1ccc(c(c1)Cl)Oc1nc([nH+]c2c1cccc2)c1ccccc1[O-]

STL050052
Synonyms: ethyl5'- [(N,N- diethylglycyl)amino]- 2,3'- bithiophene- 4'- carboxylate
Smiles: CCOC(=O)c1c(scc1c1cccs1)NC(=O)CN(CC)CC

STL050058
Synonyms: 1- {2- [(2,4- dimethoxyphenyl)amino]- 2- oxoethyl}- 3- (4- methylphenyl)- 1,5,6,7- tetrahydropyrrolo[1,2- a]imidazol- 4- ium
Smiles: COc1cc(OC)ccc1NC(=O)Cn1cc([n+]2c1CCC2)c1ccc(cc1)C

STL050062
Synonyms: 8- [(2Z)- 2- (2,6- dihydroxy- 4- oxopyrimidin- 5(4H)- ylidene)hydrazinyl]- 1,3- dimethyl- 7- (4- methylbenzyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: OC1=NC(=O)/C(=N\Nc2nc3c(n2Cc2ccc(cc2)C)c(=O)n(c(=O)n3C)C)/C(=N1)O

STL050072
Synonyms: 3- (4- methoxyphenyl)- 1- {2- oxo- 2- [phenyl(propan- 2- yl)amino]ethyl}- 1,5,6,7- tetrahydropyrrolo[1,2- a]imidazol- 4- ium
Smiles: COc1ccc(cc1)c1cn(c2[n+]1CCC2)CC(=O)N(c1ccccc1)C(C)C

STL050081
Synonyms: 4- {[4- (3- chlorophenyl)piperazin- 4- ium- 1- yl]carbonothioyl}phenolate
Smiles: [O-]c1ccc(cc1)C(=S)N1CC[NH+](CC1)c1cccc(c1)Cl

STL050082
Synonyms: 6- amino- 4- (2- fluorophenyl)- 3- (3- methoxyphenyl)- 2,4- dihydropyrano[2,3- c]pyrazole- 5- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccccc1F)c([nH]n2)c1cccc(c1)OC

STL050084
Synonyms: (2Z)- 7- (4- chlorophenyl)- 2- [(4- methoxyphenyl)imino]- 2,6,7,8- tetrahydroquinazolin- 5(1H)- one
Smiles: COc1ccc(cc1)/N=c/1\ncc2c([nH]1)CC(CC2=O)c1ccc(cc1)Cl

STL050091
Synonyms: 6- hydroxy- 8- [(3- hydroxypropyl)amino]- 3- methyl- 7- (2- oxo- 2- phenylethyl)- 3,7- dihydro- 2H- purin- 2- one
Smiles: OCCCNc1nc2c(n1CC(=O)c1ccccc1)c(O)nc(=O)n2C

STL050092
Synonyms: (5E)- 1- cyclopropyl- 5- {[(furan- 2- ylmethyl)amino]methylidene}- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: O=C1N=C(S)N(C(=O)/C/1=C/NCc1ccco1)C1CC1

STL050102
Synonyms:
Smiles: Clc1ccc(cc1C(F)(F)F)Nc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1cccc2c1nsn2

STL050112
Synonyms: (5E)- 1- (3,5- dimethylphenyl)- 2- hydroxy- 5- {[1- (propan- 2- yl)- 1H- indol- 3- yl]methylidene}pyrimidine- 4,6(1H,5H)- dione
Smiles: Cc1cc(C)cc(c1)N1C(=NC(=O)/C(=C\c2cn(c3c2cccc3)C(C)C)/C1=O)O

STL050120
Synonyms: 2- {[(E)- {1- [2- (cyclohex- 1- en- 1- yl)ethyl]- 4,6- dioxo- 2- sulfanyl- 1,6- dihydropyrimidin- 5(4H)- ylidene}methyl]amino}benzoicacid
Smiles: SC1=NC(=O)/C(=C\Nc2ccccc2C(=O)O)/C(=O)N1CCC1=CCCCC1

STL050121
Synonyms: N- [(2Z)- 5- (furan- 2- yl)- 1,3,4- thiadiazol- 2(3H)- ylidene]- 2- (4- methylphenoxy)acetamide
Smiles: Cc1ccc(cc1)OCC(=O)/N=c\1/[nH]nc(s1)c1ccco1

STL050126
Synonyms: 1- (4- chlorophenyl)- N- (2- methoxyphenyl)- 4- oxo- 2- (thiophen- 2- yl)azetidine- 2- carboxamide
Smiles: COc1ccccc1NC(=O)C1(CC(=O)N1c1ccc(cc1)Cl)c1cccs1

STL050132
Synonyms: N- (3,4- difluorophenyl)- 2- {[5- (3- methoxyphenyl)- 4- (4- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(c(c2)F)F)nnc1c1cccc(c1)OC

STL050137
Synonyms: N- [(3Z)- 1,7- dimethyl- 1,2- dihydro- 3H- pyrazolo[3,4- b]quinolin- 3- ylidene]- 3- methylbenzamide
Smiles: Cc1cccc(c1)C(=O)/N=c/1\[nH]n(c2c1cc1ccc(cc1n2)C)C

STL050156
Synonyms: (2S)- 2- amino- 4- (methylsulfanyl)- N'- [(E)- quinoxalin- 5- ylmethylidene]butanehydrazide(non- preferredname)
Smiles: CSCC[C@@H](C(=O)N/N=C/c1cccc2c1nccn2)N

STL050158
Synonyms: 3- (3- methyl- 5- oxo- 4,5- dihydro- 1H- pyrazol- 2- ium- 4- yl)propanoate
Smiles: [O-]C(=O)CCC1C(=[NH+]NC1=O)C

STL050182
Synonyms: N'- {(1E)- 1- [4- hydroxy- 2,6- dioxo- 1- (prop- 2- en- 1- yl)- 1,6- dihydropyrimidin- 5(2H)- ylidene]ethyl}heptanehydrazide
Smiles: CCCCCCC(=O)NN/C(=C/1\C(=NC(=O)N(C1=O)CC=C)O)/C

STL050187
Synonyms: 2- hydroxy- 4,7,7- trimethyl- 3- oxobicyclo[2.2.1]heptane- 1- carbohydrazide
Smiles: NNC(=O)C12CCC(C2(C)C)(C(=O)C1O)C

STL050192
Synonyms: 2- [4- (4- tert- butylphenoxy)quinazolin- 1- ium- 2- yl]phenolate
Smiles: [O-]c1ccccc1c1nc(Oc2ccc(cc2)C(C)(C)C)c2c([nH+]1)cccc2

STL050194
Synonyms: N- [(2- oxo- 1,2- dihydroquinolin- 4- yl)methyl]- N- phenylpropanamide
Smiles: CCC(=O)N(c1ccccc1)Cc1cc(=O)[nH]c2c1cccc2

STL050197
Synonyms: 2- [4- (4- ethoxyphenoxy)quinazolin- 1- ium- 2- yl]phenolate
Smiles: CCOc1ccc(cc1)Oc1nc([nH+]c2c1cccc2)c1ccccc1[O-]

STL050208
Synonyms: 8- [(2E)- 2- (4- fluorobenzylidene)hydrazinyl]- 6- hydroxy- 3- methyl- 7- (propan- 2- yl)- 3,7- dihydro- 2H- purin- 2- one
Smiles: Fc1ccc(cc1)/C=N/Nc1nc2c(n1C(C)C)c(O)nc(=O)n2C

STL050215
Synonyms: N- (4- chloro- 2- methoxy- 5- methylphenyl)- 2- {[4- ethyl- 5- (3- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1cccc(c1)c1nnc(n1CC)SCC(=O)Nc1cc(C)c(cc1OC)Cl

STL050217
Synonyms: 1',6'- dimethyl- 1- (3- methylphenyl)- 2,6- dioxo- 1,1',4',6- tetrahydro- 2H,2'H- spiro[pyrimidine- 5,3'- quinolinium]- 4- olate
Smiles: Cc1cccc(c1)N1C(=O)N=C(C2(C1=O)Cc1cc(C)ccc1[NH+](C2)C)[O-]

STL050224
Synonyms: (5E)- 6- hydroxy- 5- (1- {[2- (1H- indol- 3- yl)ethyl]amino}ethylidene)- 3- (prop- 2- en- 1- yl)pyrimidine- 2,4(3H,5H)- dione
Smiles: C=CCN1C(=O)N=C(/C(=C(\NCCc2c[nH]c3c2cccc3)/C)/C1=O)O

STL050230
Synonyms: 2- ({5- [(1S)- 1- amino- 2- phenylethyl]- 1,3,4- oxadiazol- 2- yl}sulfanyl)acetamide
Smiles: N[C@H](c1nnc(o1)SCC(=O)N)Cc1ccccc1

STL050234
Synonyms: (2Z)- 2- [(4- ethylphenyl)imino]- 7- (4- methoxyphenyl)- 2,6,7,8- tetrahydroquinazolin- 5(1H)- one
Smiles: CCc1ccc(cc1)/N=c/1\ncc2c([nH]1)CC(CC2=O)c1ccc(cc1)OC

STL050246
Synonyms: N- [(2,5- dichlorophenyl)carbamoyl]- D- methionine
Smiles: CSCC[C@H](C(=O)O)NC(=O)Nc1cc(Cl)ccc1Cl

STL050256
Synonyms: 6- {[4- (butan- 2- ylamino)- 6- methoxy- 1,3,5- triazin- 2- yl]oxy}pyridazin- 3(2H)- one
Smiles: CCC(Nc1nc(nc(n1)OC)Oc1ccc(=O)[nH]n1)C

STL050265
Synonyms: (2Z)- 3- (3- chloro- 5- ethoxy- 4- methoxyphenyl)- 2- [(3- methyl- 1H- 1,2,4- triazol- 4- ium- 5- yl)sulfanyl]prop- 2- enoate
Smiles: CCOc1cc(/C=C(/C(=O)[O-])\Sc2[nH]nc([nH+]2)C)cc(c1OC)Cl

STL050267
Synonyms: (3S,3a'R,8a'S,8b'S)- 2'- (2- methoxy- 4- nitrophenyl)- 5,7- dimethyl- 3a',6',7',8',8a',8b'- hexahydro- 1'H- spiro[indole- 3,4'- pyrrolo[3,4- a]pyrrolizine]- 1',2,3'(1H,2'H)- trione
Smiles: COc1cc(ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(N3[C@H]2CCC3)C(=O)Nc2c1cc(C)cc2C)[N+](=O)[O-]

STL050284
Synonyms: N- [(2Z)- 5- (2- methylpropyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]- 4- oxo- 4- {4- [3- (trifluoromethyl)phenyl]piperazin- 1- yl}butanamide
Smiles: CC(Cc1n[nH]/c(=N/C(=O)CCC(=O)N2CCN(CC2)c2cccc(c2)C(F)(F)F)/s1)C

STL050285
Synonyms: (5E)- 6- hydroxy- 5- (1- {[3- (1H- imidazol- 1- yl)propyl]amino}ethylidene)- 3- (4- methylphenyl)pyrimidine- 2,4(3H,5H)- dione
Smiles: Cc1ccc(cc1)N1C(=O)N=C(/C(=C(\NCCCn2cncc2)/C)/C1=O)O

STL050286
Synonyms: (2Z)- 3- (3- chloro- 4- ethoxyphenyl)- 2- [(3- methyl- 1H- 1,2,4- triazol- 4- ium- 5- yl)sulfanyl]prop- 2- enoate
Smiles: CCOc1ccc(cc1Cl)/C=C(/C(=O)[O-])\Sc1[nH]nc([nH+]1)C

STL050287
Synonyms: (1S)- 1- [5- (ethylsulfanyl)- 1,3,4- oxadiazol- 2- yl]- 2- (1H- indol- 3- yl)ethanamine
Smiles: CCSc1nnc(o1)[C@H](Cc1c[nH]c2c1cccc2)N

STL050291
Synonyms: azepan- 1- yl[1- (2,5- dimethoxybenzyl)piperidin- 3- yl]methanone
Smiles: COc1ccc(cc1CN1CCCC(C1)C(=O)N1CCCCCC1)OC

STL050296
Synonyms: 1- [2- (4- chlorophenyl)- 2- oxoethyl]- 3- (3,4- dichlorophenyl)- 1,5,6,7- tetrahydropyrrolo[1,2- a]imidazol- 4- ium
Smiles: Clc1ccc(cc1)C(=O)Cn1cc([n+]2c1CCC2)c1ccc(c(c1)Cl)Cl

STL050310
Synonyms: 2- [4- (2- chloro- 4- methylphenoxy)quinazolin- 1- ium- 2- yl]phenolate
Smiles: Cc1ccc(c(c1)Cl)Oc1nc([nH+]c2c1cccc2)c1ccccc1[O-]

STL050311
Synonyms: 1- (4- ethoxyphenyl)- 1',6'- dimethyl- 2,6- dioxo- 1,1',4',6- tetrahydro- 2H,2'H- spiro[pyrimidine- 5,3'- quinolinium]- 4- olate
Smiles: CCOc1ccc(cc1)N1C(=O)N=C(C2(C1=O)Cc1cc(C)ccc1[NH+](C2)C)[O-]

STL050316
Synonyms: N- (3,5- dimethylphenyl)- N'- [(2Z)- 5- propyl- 1,3,4- thiadiazol- 2(3H)- ylidene]butanediamide
Smiles: CCCc1n[nH]/c(=N/C(=O)CCC(=O)Nc2cc(C)cc(c2)C)/s1

STL050322
Synonyms: 2- (4- methoxyphenyl)- N- [(3Z)- 7- methyl- 1- propyl- 1,2- dihydro- 3H- pyrazolo[3,4- b]quinolin- 3- ylidene]acetamide
Smiles: CCCn1[nH]/c(=N\C(=O)Cc2ccc(cc2)OC)/c2c1nc1cc(C)ccc1c2

STL050324
Synonyms: N- [1- (4- fluorophenyl)- 4- hydroxy- 2,6- dioxo- 5- (trifluoromethyl)- 2,5,6,7- tetrahydro- 1H- pyrrolo[2,3- d]pyrimidin- 5- yl]thiophene- 2- carboxamide
Smiles: Fc1ccc(cc1)n1c(=O)nc(c2c1NC(=O)C2(NC(=O)c1cccs1)C(F)(F)F)O

STL050353
Synonyms: 4- [3- acetyl- 4- hydroxy- 2- (3- nitrophenyl)- 5- oxo- 2,5- dihydro- 1H- pyrrol- 1- yl]benzenesulfonamide
Smiles: CC(=O)C1=C(O)C(=O)N(C1c1cccc(c1)[N+](=O)[O-])c1ccc(cc1)S(=O)(=O)N

STL050358
Synonyms: 2- [1,3- dimethyl- 7- (4- methylphenyl)- 2,4- dioxo- 1,2,3,4- tetrahydro- 8H- imidazo[2,1- f]purin- 9- ium- 8- yl]phenolate
Smiles: Cc1ccc(cc1)c1cn2c(n1c1ccccc1[O-])[nH+]c1c2c(=O)n(C)c(=O)n1C

STL050359
Synonyms: 2- [(E)- {[3- (5- methyl- 1H- pyrazol- 3- yl)- 5- thioxo- 1,5- dihydro- 4H- 1,2,4- triazol- 4- yl]imino}methyl]benzoicacid
Smiles: OC(=O)c1ccccc1/C=N/n1c(=S)[nH]nc1c1n[nH]c(c1)C

STL050365
Synonyms: 1- (3- benzyl- 2- imino- 2,3- dihydro- 1H- benzimidazol- 1- yl)- 3- (2- methoxyphenoxy)propan- 2- ol
Smiles: COc1ccccc1OCC(Cn1c(=N)n(c2c1cccc2)Cc1ccccc1)O

STL050371
Synonyms: 4- {[(3Z)- 3- {[(2,5- dichlorophenyl)sulfonyl]imino}- 3,4- dihydroquinoxalin- 2- yl]amino}benzoicacid
Smiles: Clc1ccc(c(c1)S(=O)(=O)/N=c/1\[nH]c2ccccc2nc1Nc1ccc(cc1)C(=O)O)Cl

STL050372
Synonyms: 3- {[(1E)- 1- (2,6- dihydroxy- 4- oxopyrimidin- 5(4H)- ylidene)propyl]amino}benzoicacid
Smiles: CC/C(=C\1/C(=NC(=NC1=O)O)O)/Nc1cccc(c1)C(=O)O

STL050374
Synonyms: (5Z)- 5- ({[3- (diethylammonio)propyl]amino}methylidene)- 1- (2,3- dimethylphenyl)- 2,6- dioxo- 1,2,5,6- tetrahydropyrimidin- 4- olate
Smiles: CC[NH+](CCCN/C=C\1/C(=NC(=O)N(C1=O)c1cccc(c1C)C)[O-])CC

STL050376
Synonyms: 2- [4- (4- chloro- 2,3- dimethylphenoxy)quinazolin- 1- ium- 2- yl]phenolate
Smiles: [O-]c1ccccc1c1nc(Oc2ccc(c(c2C)C)Cl)c2c([nH+]1)cccc2

STL050380
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- cyclohexylmethylidene]- 5- (4- methylphenyl)- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: O=C(c1nnn(c1c1ccc(cc1)C)c1nonc1N)N/N=C/C1CCCCC1

STL050389
Synonyms: 2- [(5Z)- 5- (1H- benzimidazol- 2- ylmethylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]pentanoicacid
Smiles: CCCC(N1C(=S)S/C(=C\c2nc3c([nH]2)cccc3)/C1=O)C(=O)O

STL050401
Synonyms: 4- {[(E)- 1H- indol- 3- ylmethylidene]amino}- 5- (5- phenyl- 1H- pyrazol- 3- yl)- 4H- 1,2,4- triazole- 3- thiol
Smiles: Sc1nnc(n1/N=C/c1c[nH]c2c1cccc2)c1n[nH]c(c1)c1ccccc1

STL050404
Synonyms: (E)- {1'- [3- (dimethylammonio)propyl]- 1- methyl- 2,4',5'- trioxo- 1,2- dihydro- 3'H- spiro[indole- 3,2'- pyrrolidin]- 3'- ylidene}(5- methylfuran- 2- yl)methanolate
Smiles: Cc1ccc(o1)/C(=C/1\C(=O)C(=O)N(C21C(=O)N(c1c2cccc1)C)CCC[NH+](C)C)/[O-]

STL050409
Synonyms: 9- (4- chlorophenyl)- 4- hydroxy- 1- methyl- 6,7,8,9- tetrahydropyrimido[2,1- f]purin- 2(1H)- one
Smiles: Clc1ccc(cc1)N1CCCn2c1nc1c2c(O)nc(=O)n1C

STL050433
Synonyms: 4- (4- bromophenyl)- 5- hydroxyindeno[1,2- d][1,3]thiazin- 2(4H)- one
Smiles: Brc1ccc(cc1)C1SC(=O)N=C2C1=C(O)c1c2cccc1

STL050438
Synonyms: 3- (4- chlorophenyl)- 7- ethoxy- 2- methyl- 4H- chromen- 4- one
Smiles: CCOc1ccc2c(c1)oc(c(c2=O)c1ccc(cc1)Cl)C

STL050441
Synonyms: 6- hydroxy- 3- (2- methylphenyl)- 5- [(E)- (morpholin- 4- ylimino)methyl]- 1- phenyl- 2- thioxo- 2,3- dihydropyrimidin- 4(1H)- one
Smiles: Cc1ccccc1n1c(=O)c(/C=N/N2CCOCC2)c(n(c1=S)c1ccccc1)O

STL050442
Synonyms: 6- {[4- (dimethylamino)- 6- (morpholin- 4- yl)- 1,3,5- triazin- 2- yl]oxy}pyridazin- 3(2H)- one
Smiles: O=c1ccc(n[nH]1)Oc1nc(nc(n1)N1CCOCC1)N(C)C

STL050449
Synonyms: 2- [(2- methyl[1]benzofuro[3,2- d]pyrimidin- 4- yl)amino]butan- 1- ol
Smiles: CCC(Nc1nc(C)nc2c1oc1c2cccc1)CO

STL050463
Synonyms: 4- fluoro- N- [(2E)- 6- (morpholin- 4- ylsulfonyl)- 1,3- benzothiazol- 2(3H)- ylidene]benzamide
Smiles: Fc1ccc(cc1)C(=O)/N=c\1/sc2c([nH]1)ccc(c2)S(=O)(=O)N1CCOCC1

STL050465
Synonyms: 2- [(4- phenylpiperazin- 1- ium- 1- yl)methyl]quinazolin- 4- olate
Smiles: [O-]c1nc(C[NH+]2CCN(CC2)c2ccccc2)nc2c1cccc2

STL050467
Synonyms: (7- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methylfuran- 2- carboxylate
Smiles: Cc1ccc2c(c1)[nH]c(=O)c(c2)COC(=O)c1ccco1

STL050468
Synonyms: N- [4- hydroxy- 2,6- dioxo- 1- phenyl- 5- (trifluoromethyl)- 2,5,6,7- tetrahydro- 1H- pyrrolo[2,3- d]pyrimidin- 5- yl]cyclopropanecarboxamide
Smiles: O=C(C1CC1)NC1(C(=O)Nc2c1c(O)nc(=O)n2c1ccccc1)C(F)(F)F

STL050469
Synonyms: 3- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 8- [(4- methylpiperazin- 1- ium- 1- yl)methyl]- 4- oxo- 4H- chromen- 7- olate
Smiles: CN1CC[NH+](CC1)Cc1c([O-])ccc2c1occ(c2=O)c1ccc2c(c1)OCCO2

STL050513
Synonyms: 9- methyl- 4- [4- (4- nitrophenyl)piperazin- 1- yl]- 5H- pyrimido[5,4- b]indole
Smiles: [O-][N+](=O)c1ccc(cc1)N1CCN(CC1)c1ncnc2c1[nH]c1c2c(C)ccc1

STL050528
Synonyms: (2E)- 3- {2- [(4- chlorobenzyl)oxy]phenyl}- 2- [(3- methyl- 1H- 1,2,4- triazol- 4- ium- 5- yl)sulfanyl]prop- 2- enoate
Smiles: Clc1ccc(cc1)COc1ccccc1/C=C(\C(=O)[O-])/Sc1[nH]nc([nH+]1)C

STL050544
Synonyms: 6- chloro- 4- phenyl- 3- {[4- (2- phenylethyl)- 5- (thiophen- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}quinolin- 2- ol
Smiles: Clc1ccc2c(c1)c(c1ccccc1)c(c(n2)O)Sc1nnc(n1CCc1ccccc1)c1cccs1

STL050545
Synonyms: (5E)- 5- {amino[(4,6- dimethylpyrimidin- 2- yl)amino]methylidene}- 2,6- dihydroxypyrimidin- 4(5H)- one
Smiles: OC1=NC(=O)/C(=C(/Nc2nc(C)cc(n2)C)\N)/C(=N1)O

STL050551
Synonyms: N- [(2Z)- 3- [(2- ethylphenyl)amino]quinoxalin- 2(1H)- ylidene]thiophene- 2- sulfonamide
Smiles: CCc1ccccc1Nc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1cccs1

STL050569
Synonyms: (2Z)- 2- [(4- methoxyphenyl)imino]- 7- (4- methylphenyl)- 2,6,7,8- tetrahydroquinazolin- 5(1H)- one
Smiles: COc1ccc(cc1)/N=c/1\ncc2c([nH]1)CC(CC2=O)c1ccc(cc1)C

STL050574
Synonyms: 2- {[4- amino- 5- (4- ethoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (2,4,6- tribromophenyl)acetamide
Smiles: CCOc1ccc(cc1)c1nnc(n1N)SCC(=O)Nc1c(Br)cc(cc1Br)Br

STL050580
Synonyms: (2S)- 2- amino- 4- methyl- N'- [(E)- quinoxalin- 5- ylmethylidene]pentanehydrazide(non- preferredname)
Smiles: CC(C[C@@H](C(=O)N/N=C/c1cccc2c1nccn2)N)C

STL050582
Synonyms: 4- {[(2Z)- 3- (3- chloro- 2- methylphenyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]amino}- 4- oxobutanoicacid
Smiles: OC(=O)CCC(=O)/N=C/1\SC2C(N1c1cccc(c1C)Cl)CS(=O)(=O)C2

STL050587
Synonyms: ethyl1- (2- ethyl[1]benzofuro[3,2- d]pyrimidin- 4- yl)piperidine- 3- carboxylate
Smiles: CCOC(=O)C1CCCN(C1)c1nc(CC)nc2c1oc1c2cccc1

STL050589
Synonyms: 4- [(2,6- dimethylmorpholin- 4- ium- 4- yl)methyl]- 8- hydroxy- 2- oxo- 2H- chromen- 7- olate
Smiles: CC1C[NH+](CC(O1)C)Cc1cc(=O)oc2c1ccc(c2O)[O-]

STL050596
Synonyms: 4- chloro- N- (4- hydroxyquinazolin- 2- yl)benzamide
Smiles: Clc1ccc(cc1)C(=O)Nc1nc(O)c2c(n1)cccc2

STL050605
Synonyms: 9- methoxy- 5H- pyrimido[5,4- b]indol- 4- ol
Smiles: COc1cccc2c1c1ncnc(c1[nH]2)O

STL050606
Synonyms: (3Z,5E,6E)- 5,6- bis(hydroxyimino)- 3- (2- oxo- 2- phenylethylidene)piperazin- 2- one
Smiles: O/N=C\1/N/C(=C\C(=O)c2ccccc2)/C(=O)N/C1=N/O

STL050620
Synonyms: 3- {[(4- fluorophenyl)sulfonyl]amino}- 5- methoxy- 1H- indole- 2- carboxylicacid
Smiles: COc1ccc2c(c1)c(NS(=O)(=O)c1ccc(cc1)F)c([nH]2)C(=O)O

STL050622
Synonyms: (5E)- 5- {[1- (3- chloropropyl)- 2,3- dihydro- 1H- indol- 5- yl]methylidene}- 6- hydroxy- 3- methylpyrimidine- 2,4(3H,5H)- dione
Smiles: ClCCCN1CCc2c1ccc(c2)/C=C/1\C(=NC(=O)N(C1=O)C)O

STL050629
Synonyms: (5E)- 5- {1- [(1,3- benzodioxol- 5- ylmethyl)amino]propylidene}- 2,6- dihydroxypyrimidin- 4(5H)- one
Smiles: CC/C(=C\1/C(=NC(=NC1=O)O)O)/NCc1ccc2c(c1)OCO2

STL050633
Synonyms: 4,4'- (piperazine- 1,4- diyldisulfonyl)dibenzoicacid
Smiles: OC(=O)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)O

STL050642
Synonyms: 2- ({(2Z)- 6- amino- 2- [(2,5- dimethoxyphenyl)imino]- 5- nitro- 2,3- dihydropyrimidin- 4- yl}amino)ethanol
Smiles: OCCNc1[nH]/c(=N/c2cc(OC)ccc2OC)/nc(c1[N+](=O)[O-])N

STL050646
Synonyms: 4- (1,3- benzodioxol- 5- yl)- 1- cyclopentyl- 3- methyl- 4,6- dihydro- 1H- pyrazolo[3,4- e][1,4]thiazepin- 7- ol
Smiles: OC1=Nc2c(C(SC1)c1ccc3c(c1)OCO3)c(nn2C1CCCC1)C

STL050647
Synonyms: methyl3- [(propylsulfonyl)amino]- 1H- indole- 2- carboxylate
Smiles: CCCS(=O)(=O)Nc1c([nH]c2c1cccc2)C(=O)OC

STL050658
Synonyms: (2E)- 2- [(2- methoxyphenyl)imino]- 7- methyl- 2,6,7,8- tetrahydroquinazolin- 5(1H)- one
Smiles: COc1ccccc1/N=c\1/ncc2c([nH]1)CC(CC2=O)C

STL050668
Synonyms: methyl{3- (3,4- dichlorophenyl)- 4- [4- (3,4- dichlorophenyl)- 3,5- dioxo- 1,2,4- oxadiazolidin- 2- yl]- 5,5- dimethyl- 2- oxoimidazolidin- 1- yl}acetate
Smiles: COC(=O)CN1C(=O)N(C(C1(C)C)n1oc(=O)n(c1=O)c1ccc(c(c1)Cl)Cl)c1ccc(c(c1)Cl)Cl

STL050669
Synonyms: 4- [4- (4- chlorobenzyl)piperazin- 1- yl][1]benzofuro[3,2- d]pyrimidine
Smiles: Clc1ccc(cc1)CN1CCN(CC1)c1ncnc2c1oc1c2cccc1

STL050673
Synonyms: (5E)- 3- (4- bromophenyl)- 5- ({[3- chloro- 4- (morpholin- 4- yl)phenyl]amino}methylidene)- 6- hydroxypyrimidine- 2,4(3H,5H)- dione
Smiles: Brc1ccc(cc1)N1C(=O)N=C(/C(=C\Nc2ccc(c(c2)Cl)N2CCOCC2)/C1=O)O

STL050679
Synonyms: N- [4- hydroxy- 2,6- dioxo- 1- (2- phenylethyl)- 5- (trifluoromethyl)- 2,5,6,7- tetrahydro- 1H- pyrrolo[2,3- d]pyrimidin- 5- yl]- 3- phenylpropanamide
Smiles: O=C(NC1(C(=O)Nc2c1c(O)nc(=O)n2CCc1ccccc1)C(F)(F)F)CCc1ccccc1

STL050695
Synonyms: 4- {[(E)- (2,4- dihydroxyphenyl)methylidene]amino}- 5- (2- fluorophenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Oc1ccc(c(c1)O)/C=N/n1c(=S)[nH]nc1c1ccccc1F

STL050706
Synonyms: 4- [3- acetyl- 2- (2,4- dimethoxyphenyl)- 4- hydroxy- 5- oxo- 2,5- dihydro- 1H- pyrrol- 1- yl]benzenesulfonamide
Smiles: COc1ccc(c(c1)OC)C1C(=C(C(=O)N1c1ccc(cc1)S(=O)(=O)N)O)C(=O)C

STL050707
Synonyms: 4- [4- (diphenylmethyl)piperazin- 1- yl]- N- [(2Z)- 5- (2- methylpropyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]- 4- oxobutanamide
Smiles: CC(Cc1n[nH]/c(=N/C(=O)CCC(=O)N2CCN(CC2)C(c2ccccc2)c2ccccc2)/s1)C

STL050723
Synonyms: 2- [(Z)- (3- {[bis(2- methoxy- 2- oxoethyl)amino]methyl}- 4- hydroxy- 5- methylphenyl)(3- {[bis(2- methoxy- 2- oxoethyl)amino]methyl}- 5- methyl- 4- oxocyclohexa- 2,5- dien- 1- ylidene)methyl]benzenesulfonicacid
Smiles: COC(=O)CN(CC1=C/C(=C(\c2ccccc2S(=O)(=O)O)/c2cc(C)c(c(c2)CN(CC(=O)OC)CC(=O)OC)O)/C=C(C1=O)C)CC(=O)OC

STL050724
Synonyms: N- [(2Z)- 5- cyclohexyl- 1,3,4- thiadiazol- 2(3H)- ylidene]- 4- (3,5- dimethylpiperidin- 1- yl)- 4- oxobutanamide
Smiles: CC1CC(C)CN(C1)C(=O)CCC(=O)/N=c\1/[nH]nc(s1)C1CCCCC1

STL050743
Synonyms: (4Z)- 6- [(4- methoxyphenoxy)methyl]- 4- [(4- methoxyphenyl)imino]- 4,5- dihydro- 1,3,5- triazin- 2- amine
Smiles: COc1ccc(cc1)OCc1nc(N)n/c(=N\c2ccc(cc2)OC)/[nH]1

STL050744
Synonyms: (2Z)- 3- (2,4- dichlorophenyl)- 2- [(3- methyl- 1H- 1,2,4- triazol- 4- ium- 5- yl)sulfanyl]prop- 2- enoate
Smiles: Clc1ccc(c(c1)Cl)/C=C(/C(=O)[O-])\Sc1[nH]nc([nH+]1)C

STL050759
Synonyms: 2- {[(2E)- 6- ethoxy- 4- methylquinazolin- 2(1H)- ylidene]amino}- 7- (furan- 2- yl)- 7,8- dihydroquinazolin- 5(6H)- one
Smiles: CCOc1ccc2c(c1)c(C)n/c(=N/c1ncc3c(n1)CC(CC3=O)c1ccco1)/[nH]2

STL050777
Synonyms: (2Z)- 3- (3- chlorophenyl)- 2- [(4,6- dimethylpyrimidin- 2- yl)imino]- 6- hydroxy- 2,3,4,5- tetrahydropyrimidine- 4- carboxylicacid
Smiles: OC(=O)C1CC(=N/C(=N\c2nc(C)cc(n2)C)/N1c1cccc(c1)Cl)O

STL050790
Synonyms: 2- chloro- N- (3- fluorophenyl)- 5- nitropyrimidine- 4,6- diamine
Smiles: Fc1cccc(c1)Nc1nc(Cl)nc(c1[N+](=O)[O-])N

STL050796
Synonyms: (2E)- N- {[(2E)- 4- (3- bromo- 4- methoxyphenyl)- 1,3- thiazol- 2(3H)- ylidene]carbamothioyl}- 3- (furan- 2- yl)prop- 2- enamide
Smiles: COc1ccc(cc1Br)c1cs/c(=N/C(=S)NC(=O)/C=C/c2ccco2)/[nH]1

STL050799
Synonyms: 7- methyl- 3- [5- (tetrahydrofuran- 2- yl)- 1,2,4- oxadiazol- 3- yl]quinolin- 2(1H)- one
Smiles: Cc1ccc2c(c1)[nH]c(=O)c(c2)c1noc(n1)C1CCCO1

STL050811
Synonyms: 1- [2- (morpholin- 4- yl)ethyl]- N- (naphthalen- 1- ylmethyl)- 1H- benzimidazol- 2- amine
Smiles: O1CCN(CC1)CCn1c(NCc2cccc3c2cccc3)nc2c1cccc2

STL050814
Synonyms: (2Z)- 2- [(4- methylphenyl)imino]- 6- (morpholin- 4- yl)- 5- nitro- 1,2- dihydropyrimidin- 4- amine
Smiles: Cc1ccc(cc1)/N=c/1\nc(N)c(c([nH]1)N1CCOCC1)[N+](=O)[O-]

STL050822
Synonyms: N- [7- (4- chlorophenyl)- 5- oxo- 3,5,6,7- tetrahydro[1,2,4]triazolo[1,5- a]pyrimidin- 2- yl]furan- 2- carboxamide
Smiles: Clc1ccc(cc1)C1CC(=O)N=c2n1nc([nH]2)NC(=O)c1ccco1

STL050827
Synonyms: (2E)- [(3- methyl- 1H- 1,2,4- triazol- 4- ium- 5- yl)sulfanyl](2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene)ethanoate
Smiles: [O-]C(=O)/C(=C/1\C(=O)Nc2c1cccc2)/Sc1[nH]nc([nH+]1)C

STL050835
Synonyms: (5Z)- 5- {[5- (2,5- dichlorophenyl)- 1H- pyrrol- 2- yl]methylidene}- 2,6- dihydroxypyrimidin- 4(5H)- one
Smiles: OC1=NC(=O)/C(=C\c2ccc([nH]2)c2cc(Cl)ccc2Cl)/C(=N1)O

STL050846
Synonyms: (5E)- 1- (prop- 2- en- 1- yl)- 5- [(1- propyl- 1H- indol- 3- yl)methylidene]- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: C=CCN1C(=NC(=O)/C(=C\c2cn(c3c2cccc3)CCC)/C1=O)S

STL050847
Synonyms: N- [(2E)- 4- (3- bromo- 4- methoxyphenyl)- 1,3- thiazol- 2(3H)- ylidene]- 2- fluorobenzamide
Smiles: COc1ccc(cc1Br)c1cs/c(=N/C(=O)c2ccccc2F)/[nH]1

STL050850
Synonyms: (2E)- 3- (3- {5- [(2- fluorobenzyl)sulfanyl]- 1H- tetrazol- 1- yl}phenyl)prop- 2- enoicacid
Smiles: OC(=O)/C=C/c1cccc(c1)n1nnnc1SCc1ccccc1F

STL050858
Synonyms: 7- methoxy- 4- [4- (4- nitrophenyl)piperazin- 1- yl]- 5H- pyrimido[5,4- b]indole
Smiles: COc1ccc2c(c1)[nH]c1c2ncnc1N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-]

STL050862
Synonyms: 4- [4- (4- fluorophenyl)piperazin- 1- yl]- 4- oxo- N- [(2Z)- 5- (trifluoromethyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]butanamide
Smiles: Fc1ccc(cc1)N1CCN(CC1)C(=O)CCC(=O)/N=c\1/[nH]nc(s1)C(F)(F)F

STL050863
Synonyms: N- [(3- chloro- 4- methoxyphenyl)carbamoyl]- L- phenylalanine
Smiles: COc1ccc(cc1Cl)NC(=O)N[C@H](C(=O)O)Cc1ccccc1

STL050876
Synonyms: N- {4- [(2,6- dimethylpyrimidin- 4- yl)sulfamoyl]phenyl}- 2- ({4- (furan- 2- ylmethyl)- 5- [(4- methylphenoxy)methyl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)acetamide
Smiles: O=C(Nc1ccc(cc1)S(=O)(=O)Nc1cc(C)nc(n1)C)CSc1nnc(n1Cc1ccco1)COc1ccc(cc1)C

STL050908
Synonyms: N,N- diethyl- 2- [(2- methyl[1]benzofuro[3,2- d]pyrimidin- 4- yl)oxy]ethanamine
Smiles: CCN(CCOc1nc(C)nc2c1oc1c2cccc1)CC

STL050913
Synonyms: (E)- 2,3- dihydro- 1,4- benzodioxin- 6- yl{1- methyl- 1'- [2- (morpholin- 4- ium- 4- yl)ethyl]- 2,4',5'- trioxo- 1,2- dihydro- 3'H- spiro[indole- 3,2'- pyrrolidin]- 3'- ylidene}methanolate
Smiles: [O-]/C(=C\1/C(=O)C(=O)N(C21C(=O)N(c1c2cccc1)C)CC[NH+]1CCOCC1)/c1ccc2c(c1)OCCO2

STL050915
Synonyms: 2- (4- methoxybenzyl)- 12- phenyl- 12H- chromeno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 3- ium- 9- olate
Smiles: COc1ccc(cc1)Cc1[nH+]n2c(n1)c1c(nc2)Oc2c(C1c1ccccc1)ccc(c2)[O-]

STL050918
Synonyms: 2- propylpyrimido[1,2- a]benzimidazol- 4- ol
Smiles: CCCc1cc(O)n2c(n1)nc1c2cccc1

STL050920
Synonyms: 4- [(E)- ({2- amino- 3- [(3- chlorophenyl)sulfonyl]- 1H- pyrrolo[2,3- b]quinoxalin- 1- yl}imino)methyl]benzene- 1,2- diol
Smiles: Clc1cccc(c1)S(=O)(=O)c1c(N)n(c2c1nc1ccccc1n2)/N=C/c1ccc(c(c1)O)O

STL050923
Synonyms: (2E)- 6- (4- benzylpiperazin- 1- yl)- 2- [(3- chlorophenyl)imino]- 5- nitro- 1,2- dihydropyrimidin- 4- amine
Smiles: Clc1cccc(c1)/N=c\1/nc(N)c(c([nH]1)N1CCN(CC1)Cc1ccccc1)[N+](=O)[O-]

STL050926
Synonyms: 2- [(1E)- 1- (2- {[1- (4- ammonio- 1,2,5- oxadiazol- 3- yl)- 5- (4- propoxyphenyl)- 1H- 1,2,3- triazol- 4- yl]carbonyl}hydrazinylidene)ethyl]benzoate
Smiles: CCCOc1ccc(cc1)c1c(nnn1c1nonc1[NH3+])C(=O)N/N=C(/c1ccccc1C(=O)[O-])\C

STL050928
Synonyms: 6- hydroxy- 3- methyl- 8- (methylamino)- 7- (2- phenoxyethyl)- 3,7- dihydro- 2H- purin- 2- one
Smiles: CNc1nc2c(n1CCOc1ccccc1)c(O)nc(=O)n2C

STL050936
Synonyms: (5E)- 5- [1- (hexylamino)propylidene]- 2,6- dihydroxypyrimidin- 4(5H)- one
Smiles: CCCCCCN/C(=C/1\C(=NC(=NC1=O)O)O)/CC

STL050937
Synonyms: (7- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl(4- methoxyphenyl)acetate
Smiles: COc1ccc(cc1)CC(=O)OCc1cc2ccc(cc2[nH]c1=O)C

STL050938
Synonyms: 5- (2,4- dimethoxybenzyl)- 6- hydroxypyrimidine- 2,4(3H,5H)- dione
Smiles: COc1cc(OC)ccc1CC1C(=O)NC(=O)N=C1O

STL050939
Synonyms: 2- (2- chlorophenyl)- 12- (3,4- dimethoxyphenyl)- 12H- chromeno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 3- ium- 9- olate
Smiles: COc1ccc(cc1OC)C1c2ccc(cc2Oc2c1c1nc([nH+]n1cn2)c1ccccc1Cl)[O-]

STL050941
Synonyms: 6- methyl- 5- (3- methylbutyl)- 2- [(tetrahydrofuran- 2- ylmethyl)amino]pyrimidin- 4- ol
Smiles: CC(CCc1c(C)nc(nc1O)NCC1CCCO1)C

STL050942
Synonyms: (1S)- 1- [5- (ethylsulfanyl)- 1,3,4- oxadiazol- 2- yl]ethanamine
Smiles: CCSc1nnc(o1)[C@@H](N)C

STL050943
Synonyms: 7- (furan- 2- yl)- 2- {[(2E)- 6- methoxy- 4- methylquinazolin- 2(1H)- ylidene]amino}- 7,8- dihydroquinazolin- 5(6H)- one
Smiles: COc1ccc2c(c1)c(C)n/c(=N/c1ncc3c(n1)CC(CC3=O)c1ccco1)/[nH]2

STL050951
Synonyms: 2- [(2Z)- 4,5,6,7,8,9,10,11,12,13- decahydrocyclododeca[d][1,3]thiazol- 2(3H)- ylidenecarbamoyl]benzoicacid
Smiles: OC(=O)c1ccccc1C(=O)/N=c\1/[nH]c2c(s1)CCCCCCCCCC2

STL050963
Synonyms: 4- ({(1E)- 1- [4- hydroxy- 1- (4- methylphenyl)- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene]ethyl}amino)benzoicacid
Smiles: Cc1ccc(cc1)N1C(=O)N=C(/C(=C(\Nc2ccc(cc2)C(=O)O)/C)/C1=O)O

STL050978
Synonyms: 8- [bis(2- hydroxyethyl)amino]- 6- hydroxy- 3- methyl- 7- (2- phenoxyethyl)- 3,7- dihydro- 2H- purin- 2- one
Smiles: OCCN(c1nc2c(n1CCOc1ccccc1)c(O)nc(=O)n2C)CCO

STL051000
Synonyms: 2- [4- (2- amino- 2- iminoethyl)phenoxy]acetamide
Smiles: NC(=O)COc1ccc(cc1)CC(=N)N

STL051011
Synonyms: 4- (1,3- benzodioxol- 5- yl)- 2- phenyl- 4,6,7,8- tetrahydro- 2H- pyrazolo[3,4- b]quinoline- 3,5- diol
Smiles: OC1=C2C(=Nc3c(C2c2ccc4c(c2)OCO4)c(O)n(n3)c2ccccc2)CCC1

STL051013
Synonyms: 1- [2- (3,4- dichlorophenyl)- 2- oxoethyl]- 3- (4- fluorophenyl)- 1,5,6,7- tetrahydropyrrolo[1,2- a]imidazol- 4- ium
Smiles: Fc1ccc(cc1)c1cn(c2[n+]1CCC2)CC(=O)c1ccc(c(c1)Cl)Cl

STL051017
Synonyms: {[5- (3- chlorophenyl)- 4- ethyl- 4H- 1,2,4- triazol- 2- ium- 3- yl]sulfanyl}acetate
Smiles: CCn1c(SCC(=O)[O-])[nH+]nc1c1cccc(c1)Cl

STL051023
Synonyms: 3- [5- (4- bromophenyl)furan- 2- yl]- 2- phenyl- 5- (4- propoxyphenyl)dihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: CCCOc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccc(o1)c1ccc(cc1)Br

STL051026
Synonyms: 5- methoxy- 2- (7- phenyl- 7H- pyrazolo[4,3- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl)phenol
Smiles: COc1ccc(c(c1)O)c1nnc2n1cnc1c2cnn1c1ccccc1

STL051034
Synonyms: 5- (7,9- dichloro- 1,3- dimethyl- 2,4- dioxo- 1,3,4,5- tetrahydro- 2H- chromeno[2,3- d]pyrimidin- 5- yl)- 1,3- dimethyl- 2,6- dioxo- 1,2,3,6- tetrahydropyrimidin- 4- olate
Smiles: Clc1cc(Cl)c2c(c1)C(c1c([O-])n(C)c(=O)n(c1=O)C)c1c(O2)n(C)c(=O)n(c1=O)C

STL051036
Synonyms: 3- {[(4- methoxyphenyl)sulfonyl]amino}- 1H- indole- 2- carboxylicacid
Smiles: COc1ccc(cc1)S(=O)(=O)Nc1c([nH]c2c1cccc2)C(=O)O

STL051050
Synonyms: (5E)- 5- [1- (cyclopropylamino)propylidene]- 2,6- dihydroxypyrimidin- 4(5H)- one
Smiles: CC/C(=C\1/C(=NC(=NC1=O)O)O)/NC1CC1

STL051054
Synonyms: N- (4- {[(1E)- 1- (6- hydroxy- 1,3- dimethyl- 2,4- dioxo- 1,2,3,4- tetrahydropyrimidin- 5- yl)ethylidene]amino}phenyl)acetamide
Smiles: CC(=O)Nc1ccc(cc1)/N=C(/c1c(O)n(C)c(=O)n(c1=O)C)\C

STL051062
Synonyms: 5- methoxy- 1,2- dimethyl- N'- [(E)- (3- nitrophenyl)methylidene]- 1H- indole- 3- carbohydrazide
Smiles: COc1ccc2c(c1)c(C(=O)N/N=C/c1cccc(c1)[N+](=O)[O-])c(n2C)C

STL051064
Synonyms: N- {(E)- [1- (4- chlorophenyl)- 4- hydroxy- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene]methyl}alanylasparagine
Smiles: NC(=O)CC(C(=O)O)NC(=O)C(N/C=C/1\C(=NC(=O)N(C1=O)c1ccc(cc1)Cl)O)C

STL051068
Synonyms: N- [(2Z)- 3- (cyclopentylamino)quinoxalin- 2(1H)- ylidene]- 2,4- dimethylbenzenesulfonamide
Smiles: Cc1ccc(c(c1)C)S(=O)(=O)/N=c/1\[nH]c2ccccc2nc1NC1CCCC1

STL051080
Synonyms: 2- {[(2E)- 6- chloro- 4- phenylquinazolin- 2(1H)- ylidene]amino}- 7,8- dihydroquinazolin- 5(6H)- one
Smiles: Clc1ccc2c(c1)c(n/c(=N/c1ncc3c(n1)CCCC3=O)/[nH]2)c1ccccc1

STL051081
Synonyms: 2- (4- chlorophenoxy)- N- [(2E)- 5- (3,4- dimethoxyphenyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]acetamide
Smiles: COc1cc(ccc1OC)c1n[nH]/c(=N\C(=O)COc2ccc(cc2)Cl)/s1

STL051082
Synonyms: 3- [(E)- (5- cyano- 2,6- dihydroxy- 4- methylpyridin- 3- yl)diazenyl]benzoicacid
Smiles: N#Cc1c(O)nc(c(c1C)/N=N/c1cccc(c1)C(=O)O)O

STL051083
Synonyms:
Smiles: CCC([C@@H](C(=O)O)NC(=O)NCCc1ccc(cc1)Cl)C

STL051088
Synonyms: 3- (4- chlorophenyl)- 7- [(2- methylprop- 2- en- 1- yl)oxy]- 4H- chromen- 4- one
Smiles: CC(=C)COc1ccc2c(c1)occ(c2=O)c1ccc(cc1)Cl

STL051093
Synonyms: methylN- {(E)- [1- (4- ethoxyphenyl)- 4- hydroxy- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene]methyl}tryptophanate
Smiles: CCOc1ccc(cc1)N1C(=O)N=C(/C(=C\NC(C(=O)OC)Cc2c[nH]c3c2cccc3)/C1=O)O

STL051105
Synonyms: (1S)- 1- [5- (butylsulfanyl)- 1,3,4- oxadiazol- 2- yl]- 2- (1H- indol- 3- yl)ethanamine
Smiles: CCCCSc1nnc(o1)[C@H](Cc1c[nH]c2c1cccc2)N

STL051124
Synonyms: 6- chloro- 3- {[5- (4- methoxyphenyl)- 4- (4- phenoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- 4- phenylquinolin- 2- ol
Smiles: COc1ccc(cc1)c1nnc(n1c1ccc(cc1)Oc1ccccc1)Sc1c(O)nc2c(c1c1ccccc1)cc(cc2)Cl

STL051126
Synonyms: 1- {2- [(2- chlorophenyl)amino]- 2- oxoethyl}- 3- phenyl- 1,5,6,7- tetrahydropyrrolo[1,2- a]imidazol- 4- ium
Smiles: O=C(Nc1ccccc1Cl)Cn1cc([n+]2c1CCC2)c1ccccc1

STL051127
Synonyms: {[3- cyano- 6- (2,4- dimethoxyphenyl)- 4- (trifluoromethyl)pyridin- 2- yl]sulfanyl}(phenyl)aceticacid
Smiles: N#Cc1c(nc(cc1C(F)(F)F)c1ccc(cc1OC)OC)SC(c1ccccc1)C(=O)O

STL051130
Synonyms: N- benzyl- 6- hydroxy- 2- (morpholin- 4- yl)- 4,5- dihydropyrimidine- 4- carboxamide
Smiles: O=C(C1CC(=NC(=N1)N1CCOCC1)O)NCc1ccccc1

STL051159
Synonyms: N'- [(1E)- 1- (2,6- dihydroxy- 4- oxopyrimidin- 5(4H)- ylidene)ethyl]pentanehydrazide
Smiles: CCCCC(=O)NN/C(=C/1\C(=NC(=NC1=O)O)O)/C

STL051161
Synonyms: 1- [4- (4- chlorophenyl)- 6- hydroxy- 3,6- dimethyl- 4,5,6,7- tetrahydro- 1H- indazol- 5- yl]ethanone
Smiles: CC(=O)C1C(c2ccc(cc2)Cl)c2c(CC1(C)O)[nH]nc2C

STL051167
Synonyms: 1- {2- imino- 3- [2- (piperidin- 1- yl)ethyl]- 2,3- dihydro- 1H- benzimidazol- 1- yl}- 3- (3- methylphenoxy)propan- 2- ol
Smiles: OC(Cn1c(=N)n(c2c1cccc2)CCN1CCCCC1)COc1cccc(c1)C

STL051174
Synonyms: 3- [(8- methoxy- 2- methylquinolin- 4- yl)amino]phenol
Smiles: COc1cccc2c1nc(C)cc2Nc1cccc(c1)O

STL051179
Synonyms: N- cyclopentyl- N'- [(2Z)- 5- ethyl- 1,3,4- thiadiazol- 2(3H)- ylidene]butanediamide
Smiles: CCc1n[nH]/c(=N/C(=O)CCC(=O)NC2CCCC2)/s1

STL051190
Synonyms: (E)- [4,5- dioxo- 1- (pyridinium- 3- ylmethyl)- 2- (pyridin- 4- yl)pyrrolidin- 3- ylidene][4- (2- methylpropoxy)phenyl]methanolate
Smiles: CC(COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccncc1)Cc1ccc[nH+]c1)/[O-])C

STL051202
Synonyms: 1- methyl- 1H- benzimidazol- 3- ium- 2- sulfonate
Smiles: Cn1c2ccccc2[nH+]c1S(=O)(=O)[O-]

STL051204
Synonyms: {2- [(E)- {[3- (5- phenyl- 1H- pyrazol- 3- yl)- 5- thioxo- 1,5- dihydro- 4H- 1,2,4- triazol- 4- yl]imino}methyl]phenoxy}aceticacid
Smiles: OC(=O)COc1ccccc1/C=N/n1c(=S)[nH]nc1c1n[nH]c(c1)c1ccccc1

STL051228
Synonyms: N- [(3Z)- 6- methoxy- 1- (2- methylpropyl)- 1,2- dihydro- 3H- pyrazolo[3,4- b]quinolin- 3- ylidene]acetamide
Smiles: COc1ccc2c(c1)cc1c(n2)n([nH]/c/1=N\C(=O)C)CC(C)C

STL051254
Synonyms: (5Z)- 5- {[2,5- dimethyl- 1- (4- methylphenyl)- 1H- pyrrol- 3- yl]methylidene}- 1- methyl- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: Cc1ccc(cc1)n1c(C)cc(c1C)/C=C\1/C(=O)N=C(N(C1=O)C)S

STL051258
Synonyms: 3- chloro- N- [(2Z)- 3- [(4- fluorophenyl)amino]quinoxalin- 2(1H)- ylidene]benzenesulfonamide
Smiles: Fc1ccc(cc1)Nc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1cccc(c1)Cl

STL051267
Synonyms: (2E)- 3- (2- ethoxyphenyl)- 2- [(3- methyl- 1H- 1,2,4- triazol- 4- ium- 5- yl)sulfanyl]prop- 2- enoate
Smiles: CCOc1ccccc1/C=C(\C(=O)[O-])/Sc1[nH]nc([nH+]1)C

STL051273
Synonyms: 5- [({5- [(1S)- 1- amino- 3- methylbutyl]- 1,3,4- oxadiazol- 2- yl}sulfanyl)methyl]- 6- methylpyrimidine- 2,4(1H,3H)- dione
Smiles: CC(C[C@@H](c1nnc(o1)SCc1c(C)[nH]c(=O)[nH]c1=O)N)C

STL051274
Synonyms: N'- [(1Z)- 1- (1- cyclohexyl- 4- hydroxy- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene)propyl]pentanehydrazide
Smiles: CCCCC(=O)NN/C(=C\1/C(=NC(=O)N(C1=O)C1CCCCC1)O)/CC

STL051280
Synonyms: 4- (3,4- dihydroisoquinolin- 2(1H)- yl)- 2- ethyl[1]benzofuro[3,2- d]pyrimidine
Smiles: CCc1nc(N2CCc3c(C2)cccc3)c2c(n1)c1ccccc1o2

STL051281
Synonyms: N'- [(1E)- 1- (4- hydroxy- 3- methoxyphenyl)ethylidene]- 2- [(5- methyl- 1,3,4- thiadiazol- 2- yl)sulfanyl]acetohydrazide
Smiles: COc1cc(ccc1O)/C(=N/NC(=O)CSc1nnc(s1)C)/C

STL051282
Synonyms: 2- {4- [3- (acetylamino)phenoxy]quinazolin- 1- ium- 2- yl}phenolate
Smiles: CC(=O)Nc1cccc(c1)Oc1nc([nH+]c2c1cccc2)c1ccccc1[O-]

STL051286
Synonyms: ethyl4- {[(4E)- 2- ethyl[1]benzofuro[3,2- d]pyrimidin- 4(3H)- ylidene]amino}benzoate
Smiles: CCOC(=O)c1ccc(cc1)/N=c\1/[nH]c(CC)nc2c1oc1c2cccc1

STL051290
Synonyms: 3- [(benzylsulfonyl)amino]- 1H- indole- 2- carboxylicacid
Smiles: OC(=O)c1[nH]c2c(c1NS(=O)(=O)Cc1ccccc1)cccc2

STL051302
Synonyms:
Smiles: CCC([C@@H](C(=O)O)NC(=O)Nc1ccc(cc1C)C)C

STL051307
Synonyms: N- [(2Z)- 3- (pentylamino)quinoxalin- 2(1H)- ylidene]thiophene- 2- sulfonamide
Smiles: CCCCCNc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1cccs1

STL051326
Synonyms: (5E)- 5- (1- {[2- (dimethylammonio)ethyl]amino}ethylidene)- 2,6- dioxo- 1- (prop- 2- en- 1- yl)- 1,2,5,6- tetrahydropyrimidin- 4- olate
Smiles: C=CCN1C(=O)N=C(/C(=C(\NCC[NH+](C)C)/C)/C1=O)[O-]

STL051329
Synonyms: methylN- {[2- (4- sulfamoylphenyl)ethyl]carbamoyl}- L- phenylalaninate
Smiles: COC(=O)[C@H](Cc1ccccc1)NC(=O)NCCc1ccc(cc1)S(=O)(=O)N

STL051330
Synonyms: N- [(2Z)- 3- [(3,5- dimethoxyphenyl)amino]quinoxalin- 2(1H)- ylidene]- 2,4- dimethylbenzenesulfonamide
Smiles: COc1cc(cc(c1)OC)Nc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1ccc(cc1C)C

STL051331
Synonyms: N- [(2E)- 1,3- benzothiazol- 2(3H)- ylidene]- 3- bromo- 2- oxo- 2H- pyran- 5- carboxamide
Smiles: O=C(c1coc(=O)c(c1)Br)/N=c\1/sc2c([nH]1)cccc2

STL051345
Synonyms: tert- butyl[(1S)- 1- (5- {[2- (4- chlorophenyl)- 2- oxoethyl]sulfanyl}- 1,3,4- oxadiazol- 2- yl)- 3- methylbutyl]carbamate
Smiles: CC(C[C@@H](c1nnc(o1)SCC(=O)c1ccc(cc1)Cl)NC(=O)OC(C)(C)C)C

STL051352
Synonyms: 1- (3- methyl- 1,1- dioxidotetrahydrothiophen- 3- yl)- 3- phenylurea
Smiles: O=C(NC1(C)CCS(=O)(=O)C1)Nc1ccccc1

STL051366
Synonyms: 1- (4- hydroxy- 1- methyl- 3- phenylpyrrolo[1,2- a]quinoxalin- 2- yl)ethanone
Smiles: CC(=O)c1c(c2ccccc2)c2n(c1C)c1ccccc1nc2O

STL051372
Synonyms: (2E)- 2- [(2E)- benzylidenehydrazinylidene]- 3- (2- methylpropoxy)- 2,3- dihydroquinazolin- 4(1H)- one
Smiles: CC(COn1/c(=N/N=C/c2ccccc2)/[nH]c2c(c1=O)cccc2)C

STL051374
Synonyms: 1- [3- butoxy- 5- (piperidin- 1- ylmethyl)phenyl]ethanone
Smiles: CCCCOc1cc(CN2CCCCC2)cc(c1)C(=O)C

STL051384
Synonyms: 1- (4- methylbenzyl)- 1H- benzimidazol- 3- ium- 2- sulfonate
Smiles: Cc1ccc(cc1)Cn1c2ccccc2[nH+]c1S(=O)(=O)[O-]

STL051387
Synonyms: 3- (4- methylphenyl)- 1- (2- phenylethyl)- 1,5,6,7- tetrahydropyrrolo[1,2- a]imidazol- 4- ium
Smiles: Cc1ccc(cc1)c1cn(c2[n+]1CCC2)CCc1ccccc1

STL051393
Synonyms: 3- {[(3- methoxyphenyl)amino]methyl}- 8- methylquinolin- 2(1H)- one
Smiles: COc1cccc(c1)NCc1cc2cccc(c2[nH]c1=O)C

STL051398
Synonyms: methyl3- {[(3,4- dimethylphenyl)sulfonyl]amino}- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NS(=O)(=O)c1ccc(c(c1)C)C)cccc2

STL051408
Synonyms: 4- (4- methylpiperidin- 1- yl)- N- [(2Z)- 5- (2- methylpropyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]- 4- oxobutanamide
Smiles: CC(Cc1n[nH]/c(=N/C(=O)CCC(=O)N2CCC(CC2)C)/s1)C

STL051422
Synonyms: (4E)- 1- [2- (2- hydroxyethoxy)ethyl]- 4- [hydroxy(3- nitrophenyl)methylidene]- 5- (4- nitrophenyl)pyrrolidine- 2,3- dione
Smiles: OCCOCCN1C(=O)C(=O)/C(=C(\c2cccc(c2)[N+](=O)[O-])/O)/C1c1ccc(cc1)[N+](=O)[O-]

STL051425
Synonyms: 5- ethyl- 6- methyl- 2- [(4,6,7- trimethylquinazolin- 2- yl)amino]pyrimidin- 4- ol
Smiles: CCc1c(C)nc(nc1O)Nc1nc(C)c2c(n1)cc(c(c2)C)C

STL051442
Synonyms: 3- (9- propyl- 8,9,10,11- tetrahydropyrido[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 1- ium- 2- yl)naphthalen- 2- olate
Smiles: CCCN1CCc2c(C1)sc1c2c2[nH+]c(nn2cn1)c1cc2ccccc2cc1[O-]

STL051448
Synonyms: 3- benzyltetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- imine5,5- dioxide
Smiles: N=C1SC2C(N1Cc1ccccc1)CS(=O)(=O)C2

STL051452
Synonyms: [3- (4- methoxyphenyl)- 4,5- dihydro- 1,2- oxazol- 5- yl]methyl2,4- dichlorobenzoate
Smiles: COc1ccc(cc1)C1=NOC(C1)COC(=O)c1ccc(cc1Cl)Cl

STL051466
Synonyms: 1- [2- (3,4- dimethylphenyl)- 2- oxoethyl]- 3- (4- fluorophenyl)- 1,5,6,7- tetrahydropyrrolo[1,2- a]imidazol- 4- ium
Smiles: Fc1ccc(cc1)c1cn(c2[n+]1CCC2)CC(=O)c1ccc(c(c1)C)C

STL051472
Synonyms: N- [4- hydroxy- 1- methyl- 2,6- dioxo- 5- (trifluoromethyl)- 2,5,6,7- tetrahydro- 1H- pyrrolo[2,3- d]pyrimidin- 5- yl]furan- 2- carboxamide
Smiles: O=C1Nc2c(C1(NC(=O)c1ccco1)C(F)(F)F)c(O)nc(=O)n2C

STL051476
Synonyms: (E)- {1'- [3- (dimethylammonio)propyl]- 1- ethyl- 2,4',5'- trioxo- 1,2- dihydro- 3'H- spiro[indole- 3,2'- pyrrolidin]- 3'- ylidene}(5- methylfuran- 2- yl)methanolate
Smiles: CCN1c2ccccc2C2(C1=O)N(CCC[NH+](C)C)C(=O)C(=O)/C/2=C(\c1ccc(o1)C)/[O-]

STL051478
Synonyms: N- (2- ethyl[1]benzofuro[3,2- d]pyrimidin- 4- yl)- L- phenylalanine
Smiles: CCc1nc(N[C@H](C(=O)O)Cc2ccccc2)c2c(n1)c1ccccc1o2

STL051494
Synonyms: 1- [4- (4- bromophenyl)quinazolin- 2- yl]guanidine
Smiles: NC(=N)Nc1nc2ccccc2c(n1)c1ccc(cc1)Br

STL051521
Synonyms: 1- (4- fluorophenyl)- 1',6'- dimethyl- 2,6- dioxo- 1,1',4',6- tetrahydro- 2H,2'H- spiro[pyrimidine- 5,3'- quinolinium]- 4- olate
Smiles: Fc1ccc(cc1)N1C(=O)N=C(C2(C1=O)C[NH+](C)c1c(C2)cc(cc1)C)[O-]

STL051532
Synonyms: 2- {4- [2- (prop- 2- en- 1- yl)phenoxy]quinazolin- 1- ium- 2- yl}phenolate
Smiles: C=CCc1ccccc1Oc1nc([nH+]c2c1cccc2)c1ccccc1[O-]

STL051542
Synonyms: N- {[3- (trifluoromethyl)phenyl]carbamoyl}- L- valine
Smiles: O=C(N[C@H](C(=O)O)C(C)C)Nc1cccc(c1)C(F)(F)F

STL051554
Synonyms: 4- (4- bromophenyl)- 1- cyclopentyl- 3- methyl- 4,6- dihydro- 1H- pyrazolo[3,4- e][1,4]thiazepin- 7- ol
Smiles: Brc1ccc(cc1)C1SCC(=Nc2c1c(C)nn2C1CCCC1)O

STL051562
Synonyms: N- (2,3- dihydro- 1,4- benzodioxin- 6- ylcarbamoyl)- L- leucine
Smiles: CC(C[C@@H](C(=O)O)NC(=O)Nc1ccc2c(c1)OCCO2)C

STL051565
Synonyms: 6- hydroxy- 3- (2- methoxyphenyl)- 1',6'- dimethyl- 1',4'- dihydro- 2H,2'H- spiro[pyrimidine- 5,3'- quinoline]- 2,4(3H)- dione
Smiles: COc1ccccc1N1C(=O)N=C(C2(C1=O)CN(C)c1c(C2)cc(cc1)C)O

STL051603
Synonyms: (4Z)- 4- [(4- methylphenyl)imino]- 6- [(quinolin- 8- yloxy)methyl]- 4,5- dihydro- 1,3,5- triazin- 2- amine
Smiles: Cc1ccc(cc1)/N=c\1/[nH]c(COc2cccc3c2nccc3)nc(n1)N

STL051605
Synonyms: (5Z)- 1- cyclopropyl- 5- ({[4- (propan- 2- yl)phenyl]amino}methylidene)- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: CC(c1ccc(cc1)N/C=C\1/C(=O)N=C(N(C1=O)C1CC1)S)C

STL051607
Synonyms: 6,6'- disulfanediylbis[3,3- dimethyl- 8- (morpholin- 4- yl)- 3,4- dihydro- 1H- pyrano[3,4- c]pyridine- 5- carbonitrile]
Smiles: N#Cc1c(SSc2nc(N3CCOCC3)c3c(c2C#N)CC(OC3)(C)C)nc(c2c1CC(C)(C)OC2)N1CCOCC1

STL051626
Synonyms: (E)- (5- methylfuran- 2- yl){1'- [2- (morpholin- 4- ium- 4- yl)ethyl]- 2,4',5'- trioxo- 1- propyl- 1,2- dihydro- 3'H- spiro[indole- 3,2'- pyrrolidin]- 3'- ylidene}methanolate
Smiles: CCCN1c2ccccc2C2(C1=O)N(CC[NH+]1CCOCC1)C(=O)C(=O)/C/2=C(\c1ccc(o1)C)/[O-]

STL051628
Synonyms: 2- {[(E)- (1- cycloheptyl- 4- hydroxy- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene)methyl]amino}benzoicacid
Smiles: O=C1N=C(O)/C(=C\Nc2ccccc2C(=O)O)/C(=O)N1C1CCCCCC1

STL051631
Synonyms: N- [(2Z)- 5- ethyl- 1,3,4- thiadiazol- 2(3H)- ylidene]- 4- [4- (9H- fluoren- 9- yl)piperazin- 1- yl]- 4- oxobutanamide
Smiles: CCc1n[nH]/c(=N/C(=O)CCC(=O)N2CCN(CC2)C2c3ccccc3c3c2cccc3)/s1

STL051632
Synonyms: N- [7- (4- chlorophenyl)- 5- oxo- 3,5,6,7- tetrahydro[1,2,4]triazolo[1,5- a]pyrimidin- 2- yl]- 2- methoxyacetamide
Smiles: COCC(=O)Nc1[nH]c2=NC(=O)CC(n2n1)c1ccc(cc1)Cl

STL051633
Synonyms: 1- (pentan- 3- yl)- 4- (2- propoxyphenyl)- 4,6- dihydro- 1H- pyrazolo[3,4- e][1,4]thiazepine- 3,7- diol
Smiles: CCCOc1ccccc1C1SCC(=Nc2c1c(O)nn2C(CC)CC)O

STL051656
Synonyms: 1- (heptan- 4- yl)- 4- methyl- 1H- pyrazolo[3,4- b]pyridine- 3,6- diol
Smiles: CCCC(n1nc(c2c1nc(O)cc2C)O)CCC

STL051665
Synonyms: 8- [(dimethylammonio)methyl]- 4- oxo- 3- [4- (propoxycarbonyl)phenoxy]- 2- (trifluoromethyl)- 4H- chromen- 7- olate
Smiles: CCCOC(=O)c1ccc(cc1)Oc1c(=O)c2ccc(c(c2oc1C(F)(F)F)C[NH+](C)C)[O-]

STL051671
Synonyms: 2- amino- N- (butan- 2- yl)- 1- {[(E)- (3- ethoxy- 4- hydroxyphenyl)methylidene]amino}- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: CCOc1cc(ccc1O)/C=N/n1c(N)c(c2c1nc1ccccc1n2)C(=O)NC(CC)C

STL051682
Synonyms: (E)- {2- [4- (benzyloxy)- 3- ethoxyphenyl]- 1- [2- (morpholin- 4- ium- 4- yl)ethyl]- 4,5- dioxopyrrolidin- 3- ylidene}(2,3- dihydro- 1,4- benzodioxin- 6- yl)methanolate
Smiles: CCOc1cc(ccc1OCc1ccccc1)C1/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C(=O)N1CC[NH+]1CCOCC1

STL051685
Synonyms: N- [(2Z)- 3- [(2- methoxyethyl)amino]quinoxalin- 2(1H)- ylidene]- 2,4- dimethylbenzenesulfonamide
Smiles: COCCNc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1ccc(cc1C)C

STL051686
Synonyms: 4- fluoro- N- [(2Z)- 3- [(3- methylbutyl)amino]quinoxalin- 2(1H)- ylidene]benzenesulfonamide
Smiles: CC(CCNc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1ccc(cc1)F)C

STL051700
Synonyms: (5E)- 5- [(5- nitrofuran- 2- yl)methylidene]- 2- sulfanyl- 1,3- thiazol- 4(5H)- one
Smiles: [O-][N+](=O)c1ccc(o1)/C=C\1/SC(=NC1=O)S

STL051704
Synonyms: 5- (5- phenyl- 1H- pyrazol- 3- yl)- 4- {[(E)- (2,3,4- trimethoxyphenyl)methylidene]amino}- 4H- 1,2,4- triazole- 3- thiol
Smiles: COc1ccc(c(c1OC)OC)/C=N/n1c(S)nnc1c1n[nH]c(c1)c1ccccc1

STL051706
Synonyms: ethyl1- ({(6Z)- 4- amino- 6- [(2- methoxyphenyl)imino]- 1,6- dihydro- 1,3,5- triazin- 2- yl}methyl)piperidine- 3- carboxylate
Smiles: CCOC(=O)C1CCCN(C1)Cc1nc(N)n/c(=N\c2ccccc2OC)/[nH]1

STL051729
Synonyms: N- [(2E)- 5- (2- methoxyethyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]- 2- nitrobenzamide
Smiles: COCCc1n[nH]/c(=N\C(=O)c2ccccc2[N+](=O)[O-])/s1

STL051730
Synonyms: [(3Z)- 3- (2- {[1- (4- ammonio- 1,2,5- oxadiazol- 3- yl)- 5- (thiophen- 2- yl)- 1H- 1,2,3- triazol- 4- yl]carbonyl}hydrazinylidene)- 2- oxo- 2,3- dihydro- 1H- indol- 1- yl]acetate
Smiles: [O-]C(=O)CN1c2ccccc2/C(=N/NC(=O)c2nnn(c2c2cccs2)c2nonc2[NH3+])/C1=O

STL051732
Synonyms: 6- amino- 3- (4- propoxyphenyl)- 4- (pyridin- 3- yl)- 2,4- dihydropyrano[2,3- c]pyrazole- 5- carbonitrile
Smiles: CCCOc1ccc(cc1)c1[nH]nc2c1C(c1cccnc1)C(=C(O2)N)C#N

STL051736
Synonyms: 4- oxo- 3- [4- (propoxycarbonyl)phenoxy]- 8- (pyrrolidinium- 1- ylmethyl)- 2- (trifluoromethyl)- 4H- chromen- 7- olate
Smiles: CCCOC(=O)c1ccc(cc1)Oc1c(=O)c2ccc(c(c2oc1C(F)(F)F)C[NH+]1CCCC1)[O-]

STL051738
Synonyms: 2- [(4- fluorophenyl)amino]- 6- {[(1- phenyl- 1H- tetrazol- 5- yl)sulfanyl]methyl}pyrimidin- 4- ol
Smiles: Fc1ccc(cc1)Nc1nc(CSc2nnnn2c2ccccc2)cc(n1)O

STL051745
Synonyms: 5- (diethylammonio)- 2- [(E)- {2- [(3,5- dimethyl- 4- nitro- 1H- pyrazol- 1- yl)acetyl]hydrazinylidene}methyl]phenolate
Smiles: CC[NH+](c1ccc(c(c1)[O-])/C=N/NC(=O)Cn1nc(c(c1C)[N+](=O)[O-])C)CC

STL051756
Synonyms: (5E)- 5- {1- [(1,5- dimethyl- 3- oxo- 2- phenyl- 2,3- dihydro- 1H- pyrazol- 4- yl)amino]propylidene}- 6- hydroxy- 3- (prop- 2- en- 1- yl)pyrimidine- 2,4(3H,5H)- dione
Smiles: C=CCN1C(=O)N=C(/C(=C(\Nc2c(C)n(n(c2=O)c2ccccc2)C)/CC)/C1=O)O

STL051757
Synonyms: (5E)- 1- (4- fluorophenyl)- 5- {[5- (morpholin- 4- yl)furan- 2- yl]methylidene}- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: Fc1ccc(cc1)N1C(=NC(=O)/C(=C\c2ccc(o2)N2CCOCC2)/C1=O)S

STL051769
Synonyms: 2- {4- [3- (trifluoromethyl)phenoxy]quinazolin- 1- ium- 2- yl}phenolate
Smiles: [O-]c1ccccc1c1nc(Oc2cccc(c2)C(F)(F)F)c2c([nH+]1)cccc2

STL051781
Synonyms: 6- (4- chlorophenyl)- 3- (5- phenyl- 1H- pyrazol- 3- yl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: Clc1ccc(cc1)C1=Nn2c(SC1)nnc2c1n[nH]c(c1)c1ccccc1

STL051786
Synonyms: 4- {[(3- hydroxypropyl)amino]methyl}quinolin- 2(1H)- one
Smiles: OCCCNCc1cc(=O)[nH]c2c1cccc2

STL051789
Synonyms: N- [2- (cyclohex- 1- en- 1- yl)ethyl]- 2- ethyl[1]benzofuro[3,2- d]pyrimidin- 4- amine
Smiles: CCc1nc(NCCC2=CCCCC2)c2c(n1)c1ccccc1o2

STL051803
Synonyms: 5- (2,3- dichlorobenzyl)- 6- hydroxy- 3- (4- methylphenyl)- 5- [2- (pyridin- 4- yl)ethyl]pyrimidine- 2,4(3H,5H)- dione
Smiles: Cc1ccc(cc1)N1C(=O)N=C(C(C1=O)(CCc1ccncc1)Cc1cccc(c1Cl)Cl)O

STL051813
Synonyms: 7- (4- fluorobenzyl)- 8- [(2Z)- 2- (4- hydroxy- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene)hydrazinyl]- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Fc1ccc(cc1)Cn1c(N/N=C/2\C(=O)NC(=O)N=C2O)nc2c1c(=O)n(c(=O)n2C)C

STL051818
Synonyms: (5E)- 1- ethyl- 5- [(1- propyl- 1H- indol- 3- yl)methylidene]- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: CCCn1cc(c2c1cccc2)/C=C/1\C(=O)N=C(N(C1=O)CC)S

STL051836
Synonyms: 4- {[(E)- (3- phenoxyphenyl)methylidene]amino}- 5- (5- phenyl- 1H- pyrazol- 3- yl)- 4H- 1,2,4- triazole- 3- thiol
Smiles: Sc1nnc(n1/N=C/c1cccc(c1)Oc1ccccc1)c1n[nH]c(c1)c1ccccc1

STL051839
Synonyms: (8E)- 8- [(2Z)- (2,6- dihydroxy- 4- oxopyrimidin- 5(4H)- ylidene)hydrazinylidene]- 7- (2,3- dihydroxypropyl)- 1,3- dimethyl- 3,7,8,9- tetrahydro- 1H- purine- 2,6- dione
Smiles: OCC(Cn1/c(=N/N=C\2/C(=NC(=NC2=O)O)O)/[nH]c2c1c(=O)n(c(=O)n2C)C)O

STL051849
Synonyms: 4- bromo- N- [(2Z)- 3- [(4- phenylquinolin- 8- yl)amino]quinoxalin- 2(1H)- ylidene]benzenesulfonamide
Smiles: Brc1ccc(cc1)S(=O)(=O)/N=c/1\[nH]c2ccccc2nc1Nc1cccc2c1nccc2c1ccccc1

STL051852
Synonyms: 6- (biphenyl- 4- yl)- 3- (5- phenyl- 1H- pyrazol- 3- yl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: c1ccc(cc1)c1ccc(cc1)C1=Nn2c(SC1)nnc2c1n[nH]c(c1)c1ccccc1

STL051869
Synonyms: 3- [(3E)- 3- [(4- chlorophenyl)(hydroxy)methylidene]- 2- (2,5- dimethoxyphenyl)- 4,5- dioxopyrrolidin- 1- yl]propanoicacid
Smiles: COc1ccc(cc1C1N(CCC(=O)O)C(=O)C(=O)/C/1=C(\c1ccc(cc1)Cl)/O)OC

STL051890
Synonyms: 4- [4- (9H- fluoren- 9- yl)piperazin- 1- yl]- N- [(2E)- 5- methyl- 1,3,4- thiadiazol- 2(3H)- ylidene]- 4- oxobutanamide
Smiles: O=C(/N=c/1\[nH]nc(s1)C)CCC(=O)N1CCN(CC1)C1c2ccccc2c2c1cccc2

STL051904
Synonyms: 3,3'- (biphenyl- 4,4'- diyldiimino)bis(2- butanoyl- 5,5- dimethylcyclohex- 2- en- 1- one)
Smiles: CCCC(=O)C1=C(Nc2ccc(cc2)c2ccc(cc2)NC2=C(C(=O)CCC)C(=O)CC(C2)(C)C)CC(CC1=O)(C)C

STL051907
Synonyms: 3- [(1Z)- 1- (2- {[1- (4- ammonio- 1,2,5- oxadiazol- 3- yl)- 5- {[(2- carbamoylphenyl)amino]methyl}- 1H- 1,2,3- triazol- 4- yl]carbonyl}hydrazinylidene)ethyl]phenolate
Smiles: [O-]c1cccc(c1)/C(=N\NC(=O)c1nnn(c1CNc1ccccc1C(=O)N)c1nonc1[NH3+])/C

STL051943
Synonyms: 6- hydroxy- 3- methyl- 8- (piperidin- 1- yl)- 7- [2- (pyrimidin- 2- ylsulfanyl)ethyl]- 3,7- dihydro- 2H- purin- 2- one
Smiles: Oc1nc(=O)n(c2c1n(CCSc1ncccn1)c(n2)N1CCCCC1)C

STL051949
Synonyms: N- cyclooctyl- N'- [(2Z)- 5- propyl- 1,3,4- thiadiazol- 2(3H)- ylidene]butanediamide
Smiles: CCCc1n[nH]/c(=N/C(=O)CCC(=O)NC2CCCCCCC2)/s1

STL051961
Synonyms: (4Z)- 6- {[(1- methyl- 1H- imidazol- 2- yl)sulfanyl]methyl}- 4- [(4- methylphenyl)imino]- 4,5- dihydro- 1,3,5- triazin- 2- amine
Smiles: Cc1ccc(cc1)/N=c/1\nc(N)nc([nH]1)CSc1nccn1C

STL051962
Synonyms: 3- (4- methoxyphenyl)- 1- [2- (4- methylphenyl)- 2- oxoethyl]- 1,5,6,7- tetrahydropyrrolo[1,2- a]imidazol- 4- ium
Smiles: COc1ccc(cc1)c1cn(c2[n+]1CCC2)CC(=O)c1ccc(cc1)C

STL051965
Synonyms: 4- {[(E)- furan- 2- ylmethylidene]amino}- 5- (5- methyl- 1H- pyrazol- 3- yl)- 4H- 1,2,4- triazole- 3- thiol
Smiles: Cc1[nH]nc(c1)c1nnc(n1/N=C/c1ccco1)S

STL051967
Synonyms: 8- nitro- 2',6'- dioxo- 1',2,3,4,4a,6'- hexahydro- 1H,2'H,6H- spiro[pyrido[1,2- a]quinolinium- 5,5'- pyrimidin]- 4'- olate
Smiles: O=C1NC(=O)C2(C(=N1)[O-])Cc1cc(ccc1[NH+]1C2CCCC1)[N+](=O)[O-]

STL051971
Synonyms: ethyl2- (3,5- dimethyl- 1H- pyrazol- 1- yl)- 4- [(4- methoxy- 2- nitrophenyl)amino]pyrimidine- 5- carboxylate
Smiles: CCOC(=O)c1cnc(nc1Nc1ccc(cc1[N+](=O)[O-])OC)n1nc(cc1C)C

STL051977
Synonyms: methylN- [(tetrahydrofuran- 2- ylmethyl)carbamoyl]- L- phenylalaninate
Smiles: COC(=O)[C@H](Cc1ccccc1)NC(=O)NCC1CCCO1

STL051980
Synonyms: 2- {4- [4- (acetylamino)phenoxy]quinazolin- 1- ium- 2- yl}phenolate
Smiles: CC(=O)Nc1ccc(cc1)Oc1nc([nH+]c2c1cccc2)c1ccccc1[O-]

STL051989
Synonyms: (2E)- 2- [(3- methyl- 1H- 1,2,4- triazol- 4- ium- 5- yl)sulfanyl]- 3- (thiophen- 2- yl)prop- 2- enoate
Smiles: [O-]C(=O)/C(=C\c1cccs1)/Sc1[nH]nc([nH+]1)C

STL052016
Synonyms: 2- [4- (4- chloro- 3- ethylphenoxy)quinazolin- 1- ium- 2- yl]phenolate
Smiles: CCc1cc(ccc1Cl)Oc1nc([nH+]c2c1cccc2)c1ccccc1[O-]

STL052019
Synonyms: {(3E)- 3- [hydroxy(phenyl)methylidene]- 4,5- dioxo- 2- phenylpyrrolidin- 1- yl}aceticacid
Smiles: OC(=O)CN1C(=O)C(=O)/C(=C(\c2ccccc2)/O)/C1c1ccccc1

STL052021
Synonyms: 4- [(5E)- 5- (2,4- dimethoxybenzylidene)- 4- hydroxy- 2,6- dioxo- 5,6- dihydropyrimidin- 1(2H)- yl]benzoicacid
Smiles: COc1ccc(c(c1)OC)/C=C/1\C(=NC(=O)N(C1=O)c1ccc(cc1)C(=O)O)O

STL052028
Synonyms: N- [(3Z)- 1- ethyl- 6- methyl- 1,2- dihydro- 3H- pyrazolo[3,4- b]quinolin- 3- ylidene]propanamide
Smiles: CCC(=O)/N=c/1\[nH]n(c2c1cc1cc(C)ccc1n2)CC

STL052034
Synonyms: 5- (3- chloro- 4- methylbenzyl)- 4- hydroxy- 1,3- thiazol- 2(5H)- one
Smiles: O=C1N=C(C(S1)Cc1ccc(c(c1)Cl)C)O

STL052043
Synonyms: propyl{[3- cyano- 6- hydroxy- 4- (4- hydroxyphenyl)- 4,5- dihydropyridin- 2- yl]sulfanyl}acetate
Smiles: CCCOC(=O)CSC1=C(C#N)C(CC(=N1)O)c1ccc(cc1)O

STL052055
Synonyms: butyl[(2E)- 5- (2- methoxyphenyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]carbamate
Smiles: CCCCOC(=O)/N=c/1\[nH]nc(s1)c1ccccc1OC

STL052057
Synonyms: (6Z)- 6- [(2- methoxyphenyl)imino]- 4- (trifluoromethyl)- 1,6- dihydro- 1,3,5- triazin- 2- amine
Smiles: COc1ccccc1/N=c/1\nc(nc([nH]1)N)C(F)(F)F

STL052059
Synonyms: {[5- (4- chlorophenyl)- 4- (4- methoxyphenyl)- 4H- 1,2,4- triazol- 2- ium- 3- yl]sulfanyl}acetate
Smiles: COc1ccc(cc1)n1c(SCC(=O)[O-])[nH+]nc1c1ccc(cc1)Cl

STL052075
Synonyms: (3R)- N- cyclohexyl- 5- oxo- 2,3,5,9b- tetrahydro[1,3]thiazolo[2,3- a]isoindole- 3- carboxamide
Smiles: O=C([C@@H]1CSC2N1C(=O)c1c2cccc1)NC1CCCCC1

STL052077
Synonyms: 4- hydroxy- 6- oxo- 1- [4- (propan- 2- yl)phenyl]- 5- (1,2,3,4- tetrahydroisoquinolinium- 1- yl)- 1,6- dihydropyrimidine- 2- thiolate
Smiles: Oc1nc([S-])n(c(=O)c1C1[NH2+]CCc2c1cccc2)c1ccc(cc1)C(C)C

STL052078
Synonyms: (5E)- 5- [(azepan- 1- ylamino)methylidene]- 1- (4- fluorophenyl)- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: Fc1ccc(cc1)N1C(=NC(=O)/C(=C\NN2CCCCCC2)/C1=O)S

STL052079
Synonyms: 4- fluoro- N- [(7E)- 5- methyl[1,2,4]triazolo[1,5- a]pyrimidin- 7(4H)- ylidene]aniline
Smiles: Fc1ccc(cc1)/N=c/1\cc(C)[nH]c2n1ncn2

STL052087
Synonyms: 3- (4- chlorophenyl)- 2- methyl- 4- oxo- 8- (pyrrolidinium- 1- ylmethyl)- 4H- chromen- 7- olate
Smiles: Clc1ccc(cc1)c1c(C)oc2c(c1=O)ccc(c2C[NH+]1CCCC1)[O-]

STL052089
Synonyms: N- [(2Z)- 5- (furan- 2- yl)- 1,3,4- thiadiazol- 2(3H)- ylidene]- 2- phenoxyacetamide
Smiles: O=C(/N=c\1/[nH]nc(s1)c1ccco1)COc1ccccc1

STL052095
Synonyms: 4- (furan- 2- yl)- 5- hydroxy- 7,7- dimethyl- 2- {[2- (morpholin- 4- yl)- 2- oxoethyl]sulfanyl}- 4,6,7,8- tetrahydroquinoline- 3- carbonitrile
Smiles: N#CC1=C(SCC(=O)N2CCOCC2)N=C2C(=C(O)CC(C2)(C)C)C1c1ccco1

STL052098
Synonyms: ethyl4- [(4E)- [1]benzofuro[3,2- d]pyrimidin- 4(3H)- ylideneamino]benzoate
Smiles: CCOC(=O)c1ccc(cc1)/N=c\1/[nH]cnc2c1oc1c2cccc1

STL052099
Synonyms: N- [(2E)- 5- (3- methoxyphenyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]- 2- methylpropanamide
Smiles: COc1cccc(c1)c1n[nH]/c(=N\C(=O)C(C)C)/s1

STL052132
Synonyms: 2- [(2Z)- 2- (2- amino- 6- hydroxy- 4- oxopyrimidin- 5(4H)- ylidene)hydrazinyl]benzoicacid
Smiles: NC1=NC(=O)/C(=N\Nc2ccccc2C(=O)O)/C(=N1)O

STL052143
Synonyms: N- [(2Z)- 5- cyclohexyl- 1,3,4- thiadiazol- 2(3H)- ylidene]- N'- (thiophen- 2- ylmethyl)butanediamide
Smiles: O=C(NCc1cccs1)CCC(=O)/N=c\1/[nH]nc(s1)C1CCCCC1

STL052145
Synonyms: 6'- amino- 3'- butyl- 5- fluoro- 2- oxo- 1,2- dihydro- 2'H- spiro[indole- 3,4'- pyrano[2,3- c]pyrazole]- 5'- carbonitrile
Smiles: CCCCc1[nH]nc2c1C1(C(=O)Nc3c1cc(F)cc3)C(=C(O2)N)C#N

STL052154
Synonyms: 4- hydroxy- 5- [(2- phenylethyl)amino]pyrimidin- 2(1H)- one
Smiles: Oc1nc(=O)[nH]cc1NCCc1ccccc1

STL052157
Synonyms: 5- [(1E)- N- (azepan- 1- yl)ethanimidoyl]- 6- hydroxy- 1,3- dimethylpyrimidine- 2,4(1H,3H)- dione
Smiles: C/C(=N\N1CCCCCC1)/c1c(O)n(C)c(=O)n(c1=O)C

STL052158
Synonyms: (4Z)- 6- [(3,5- dimethylpiperidin- 1- yl)methyl]- 4- (phenylimino)- 4,5- dihydro- 1,3,5- triazin- 2- amine
Smiles: CC1CN(CC(C1)C)Cc1nc(N)n/c(=N\c2ccccc2)/[nH]1

STL052163
Synonyms: 2- chloro- N- (4- methoxyphenyl)- N- [(2- oxo- 1,2- dihydroquinolin- 4- yl)methyl]acetamide
Smiles: ClCC(=O)N(c1ccc(cc1)OC)Cc1cc(=O)[nH]c2c1cccc2

STL052164
Synonyms: (1S)- 3- methyl- 1- {5- [(4- methylbenzyl)sulfonyl]- 1,3,4- oxadiazol- 2- yl}butan- 1- amine
Smiles: CC(C[C@@H](c1nnc(o1)S(=O)(=O)Cc1ccc(cc1)C)N)C

STL052173
Synonyms: 3- {[(E)- (2- hydroxy- 3- methyl- 5- nitrophenyl)methylidene]amino}- 2- methylquinazolin- 4(3H)- one
Smiles: Cc1cc(cc(c1O)/C=N/n1c(C)nc2c(c1=O)cccc2)[N+](=O)[O-]

STL052181
Synonyms: 2- amino- 7- (4- chlorophenyl)- 6,7- dihydro[1,2,4]triazolo[1,5- a]pyrimidin- 5(3H)- one
Smiles: Clc1ccc(cc1)C1CC(=O)N=c2n1nc([nH]2)N

STL052185
Synonyms: 3- (4- ethoxyphenyl)- 5- [(4- nitrobenzyl)sulfanyl]- 4H- 1,2,4- triazol- 4- amine
Smiles: CCOc1ccc(cc1)c1nnc(n1N)SCc1ccc(cc1)[N+](=O)[O-]

STL052187
Synonyms: N,N'- propane- 1,3- diylbis(5- hydroxypyridine- 3- carboxamide)
Smiles: Oc1cncc(c1)C(=O)NCCCNC(=O)c1cncc(c1)O

STL052192
Synonyms: 4- [(2- phenyl[1]benzofuro[3,2- d]pyrimidin- 4- yl)amino]butanoicacid
Smiles: OC(=O)CCCNc1nc(nc2c1oc1c2cccc1)c1ccccc1

STL052203
Synonyms: [(6- {[(2Z)- 4,6- di(morpholin- 4- yl)- 1,3,5- triazin- 2(1H)- ylidene]amino}- 1,3- benzothiazol- 2- yl)sulfanyl]acetonitrile
Smiles: N#CCSc1nc2c(s1)cc(cc2)/N=c/1\nc(nc([nH]1)N1CCOCC1)N1CCOCC1

STL052212
Synonyms: N- [(2E)- 5- (2- methoxyphenyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]pentanamide
Smiles: CCCCC(=O)/N=c/1\[nH]nc(s1)c1ccccc1OC

STL052230
Synonyms: N- tert- butyl- N- [(2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]furan- 2- carboxamide
Smiles: O=C(N(C(C)(C)C)Cc1cc2ccccc2[nH]c1=O)c1ccco1

STL052232
Synonyms: 2- (4- fluorophenyl)- 12- (4- methoxyphenyl)- 12H- chromeno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 3- ium- 9- olate
Smiles: COc1ccc(cc1)C1c2ccc(cc2Oc2c1c1nc([nH+]n1cn2)c1ccc(cc1)F)[O-]

STL052235
Synonyms: 2- (3- methylphenyl)- 12- phenyl- 12H- chromeno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 3- ium- 9- olate
Smiles: [O-]c1ccc2c(c1)Oc1c(C2c2ccccc2)c2nc([nH+]n2cn1)c1cccc(c1)C

STL052237
Synonyms: 1',2'- bis[(4- chlorophenyl)carbonyl]- 5'- methyl- 1',2'- dihydro- 3a'H- spiro[indole- 3,3'- pyrrolo[1,2- a]quinolin]- 2(1H)- one
Smiles: Clc1ccc(cc1)C(=O)C1N2c3ccccc3C(=CC2C2(C1C(=O)c1ccc(cc1)Cl)C(=O)Nc1c2cccc1)C

STL052248
Synonyms: 4,6- dichloro- 3- hydroxy- 3- [2- oxo- 2- (tricyclo[3.3.1.1~3,7~]dec- 1- yl)ethyl]- 1,3- dihydro- 2H- indol- 2- one
Smiles: Clc1cc(Cl)c2c(c1)NC(=O)C2(O)CC(=O)C12CC3CC(C2)CC(C1)C3

STL052252
Synonyms: tert- butyl{(1S)- 1- [6- (4- chlorophenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazin- 3- yl]- 2- methylpropyl}carbamate
Smiles: O=C(OC(C)(C)C)N[C@H](c1nnc2n1N=C(CS2)c1ccc(cc1)Cl)C(C)C

STL052264
Synonyms: (5E)- 1- (3- chloro- 4- methylphenyl)- 5- ({[3- (morpholin- 4- ium- 4- yl)propyl]amino}methylidene)- 2,6- dioxo- 1,2,5,6- tetrahydropyrimidin- 4- olate
Smiles: O=C1N=C([O-])/C(=C\NCCC[NH+]2CCOCC2)/C(=O)N1c1ccc(c(c1)Cl)C

STL052265
Synonyms: 2- {[4- (4- chlorophenyl)- 5- (pyridin- 3- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- [4- (1,3- thiazol- 2- ylsulfamoyl)phenyl]acetamide
Smiles: O=C(Nc1ccc(cc1)S(=O)(=O)Nc1nccs1)CSc1nnc(n1c1ccc(cc1)Cl)c1cccnc1

STL052278
Synonyms: 1- (1- ethoxy- 4- hydroxy- 3- phenylpyrrolo[1,2- a]quinoxalin- 2- yl)ethanone
Smiles: CCOc1n2c(c(c1C(=O)C)c1ccccc1)c(O)nc1c2cccc1

STL052299
Synonyms: 2- [(2- methylphenoxy)methyl]- 12- phenyl- 12H- chromeno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 3- ium- 9- olate
Smiles: [O-]c1ccc2c(c1)Oc1c(C2c2ccccc2)c2nc([nH+]n2cn1)COc1ccccc1C

STL052308
Synonyms: 4- (2- methoxyphenyl)- 1,3- diphenyl- 4,6- dihydro- 1H- pyrazolo[3,4- e][1,4]thiazepin- 7- ol
Smiles: COc1ccccc1C1SCC(=Nc2c1c(nn2c1ccccc1)c1ccccc1)O

STL052319
Synonyms: (2Z)- 3- (2,5- dimethoxyphenyl)- 2- [(3- methyl- 1H- 1,2,4- triazol- 4- ium- 5- yl)sulfanyl]prop- 2- enoate
Smiles: COc1ccc(cc1/C=C(/C(=O)[O-])\Sc1[nH]nc([nH+]1)C)OC

STL052320
Synonyms: 2- ethyl- 4- (4- phenylpiperazin- 1- yl)[1]benzofuro[3,2- d]pyrimidine
Smiles: CCc1nc(N2CCN(CC2)c2ccccc2)c2c(n1)c1ccccc1o2

STL052323
Synonyms: 3- {[(3Z)- 3- {[(3- methylphenyl)sulfonyl]imino}- 3,4- dihydroquinoxalin- 2- yl]amino}benzoicacid
Smiles: Cc1cccc(c1)S(=O)(=O)/N=c/1\[nH]c2ccccc2nc1Nc1cccc(c1)C(=O)O

STL052324
Synonyms: methylN- [(2,3- dimethylphenyl)carbamoyl]- L- valinate
Smiles: COC(=O)[C@H](C(C)C)NC(=O)Nc1cccc(c1C)C

STL052338
Synonyms: (2E)- 2- [(4- methoxyphenyl)imino]- 6- (4- methylpiperazin- 1- yl)- 5- nitro- 1,2- dihydropyrimidin- 4- amine
Smiles: COc1ccc(cc1)/N=c\1/nc(N)c(c([nH]1)N1CCN(CC1)C)[N+](=O)[O-]

STL052339
Synonyms: N- [(2- methylpropyl)carbamoyl]- D- phenylalanine
Smiles: CC(CNC(=O)N[C@@H](C(=O)O)Cc1ccccc1)C

STL052348
Synonyms: 2- methyl- 4- (2- methylpiperidin- 1- yl)[1]benzofuro[3,2- d]pyrimidine
Smiles: Cc1nc(N2CCCCC2C)c2c(n1)c1ccccc1o2

STL052355
Synonyms: (5E)- 2- hydroxy- 6- oxo- 5- (1- {[2- (piperazin- 1- ium- 1- yl)ethyl]amino}ethylidene)- 5,6- dihydropyrimidin- 4- olate
Smiles: OC1=NC(=O)/C(=C(/NCC[NH+]2CCNCC2)\C)/C(=N1)[O-]

STL052356
Synonyms: 2- {[2- (diethylamino)ethyl]sulfanyl}- 6- hydroxy- 3- (2- methylphenyl)pyrimidin- 4(3H)- one
Smiles: CCN(CCSc1nc(O)cc(=O)n1c1ccccc1C)CC

STL052360
Synonyms: (2E)- 3- [3- (benzyloxy)phenyl]- 2- [(3- methyl- 1H- 1,2,4- triazol- 4- ium- 5- yl)sulfanyl]prop- 2- enoate
Smiles: [O-]C(=O)/C(=C\c1cccc(c1)OCc1ccccc1)/Sc1[nH]nc([nH+]1)C

STL052362
Synonyms: N- [(8- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- N- propylacetamide
Smiles: CCCN(C(=O)C)Cc1cc2cccc(c2[nH]c1=O)C

STL052367
Synonyms: N- [(2Z)- 5- (2- ethoxyethyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]cyclohexanecarboxamide
Smiles: CCOCCc1n[nH]/c(=N/C(=O)C2CCCCC2)/s1

STL052374
Synonyms: 4- [4- (2- fluorophenyl)piperazin- 1- yl]- 2- methyl[1]benzofuro[3,2- d]pyrimidine
Smiles: Cc1nc(N2CCN(CC2)c2ccccc2F)c2c(n1)c1ccccc1o2

STL052379
Synonyms: 6- hydroxy- 7- (2- hydroxyethyl)- 3- methyl- 8- [(4- methylphenyl)amino]- 3,7- dihydro- 2H- purin- 2- one
Smiles: OCCn1c(Nc2ccc(cc2)C)nc2c1c(O)nc(=O)n2C

STL052389
Synonyms: (2E)- 1- (3- bromophenyl)- 2- (3- hydroxyquinoxalin- 2(1H)- ylidene)ethanone
Smiles: Brc1cccc(c1)C(=O)/C=c\1/[nH]c2ccccc2nc1O

STL052399
Synonyms: 6- amino- N'- [(E)- (2- chloro- 7- methylquinolin- 3- yl)methylidene]hexanehydrazide
Smiles: NCCCCCC(=O)N/N=C/c1cc2ccc(cc2nc1Cl)C

STL052401
Synonyms: 2- [7- (4- chlorophenyl)- 5- oxo- 3,5,6,7- tetrahydro[1,2,4]triazolo[1,5- a]pyrimidin- 2- yl]- 1H- isoindole- 1,3(2H)- dione
Smiles: O=C1CC(c2ccc(cc2)Cl)n2c(=N1)[nH]c(n2)N1C(=O)c2c(C1=O)cccc2

STL052405
Synonyms: (8E)- 7- [(2E)- 3- chlorobut- 2- en- 1- yl]- 1,3- dimethyl- 8- {(2E)- [(3E)- 4- phenylbut- 3- en- 2- ylidene]hydrazinylidene}- 3,7,8,9- tetrahydro- 1H- purine- 2,6- dione
Smiles: C/C(=C\Cn1/c(=N/N=C(/C=C/c2ccccc2)\C)/[nH]c2c1c(=O)n(c(=O)n2C)C)/Cl

STL052416
Synonyms: 1- (butan- 2- yl)- 4- (2- methoxyphenyl)- 4,6- dihydro- 1H- pyrazolo[3,4- e][1,4]thiazepine- 3,7- diol
Smiles: CCC(n1nc(c2c1N=C(O)CSC2c1ccccc1OC)O)C

STL052418
Synonyms: 4- [4- (5- chloro- 2- methoxybenzyl)piperazin- 1- yl]- N- [(2Z)- 5- cyclohexyl- 1,3,4- thiadiazol- 2(3H)- ylidene]- 4- oxobutanamide
Smiles: COc1ccc(cc1CN1CCN(CC1)C(=O)CCC(=O)/N=c\1/[nH]nc(s1)C1CCCCC1)Cl

STL052425
Synonyms: 3- (4- chlorophenyl)- 1- [2- (3,4- dimethylphenyl)- 2- oxoethyl]- 1,5,6,7- tetrahydropyrrolo[1,2- a]imidazol- 4- ium
Smiles: Clc1ccc(cc1)c1cn(c2[n+]1CCC2)CC(=O)c1ccc(c(c1)C)C

STL052432
Synonyms: 3- [(ethylamino)methyl]- 6- methoxyquinolin- 2(1H)- one
Smiles: CCNCc1cc2cc(OC)ccc2[nH]c1=O

STL052433
Synonyms: (8- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl2- ethoxybenzoate
Smiles: CCOc1ccccc1C(=O)OCc1cc2cccc(c2[nH]c1=O)C

STL052437
Synonyms: 5- [(1E)- N- (4- fluorophenyl)propanimidoyl]- 6- hydroxy- 1,3- dimethylpyrimidine- 2,4(1H,3H)- dione
Smiles: CC/C(=N\c1ccc(cc1)F)/c1c(O)n(C)c(=O)n(c1=O)C

STL052442
Synonyms: 2- ethyl- N- (morpholin- 4- yl)[1]benzofuro[3,2- d]pyrimidin- 4- amine
Smiles: CCc1nc(NN2CCOCC2)c2c(n1)c1ccccc1o2

STL052446
Synonyms: (2Z)- 2- [(4- methoxyphenyl)imino]- 7- methyl- 2,6,7,8- tetrahydroquinazolin- 5(1H)- one
Smiles: COc1ccc(cc1)/N=c/1\ncc2c([nH]1)CC(CC2=O)C

STL052453
Synonyms: 2- [(4- methylbenzyl)sulfanyl]- 5- [(2S)- pyrrolidin- 2- yl]- 1,3,4- oxadiazole
Smiles: Cc1ccc(cc1)CSc1nnc(o1)[C@@H]1CCCN1

STL052473
Synonyms: (5E)- 1- (4- fluorobenzyl)- 5- ({[2- (morpholin- 4- ium- 4- yl)ethyl]amino}methylidene)- 4,6- dioxo- 1,4,5,6- tetrahydropyrimidine- 2- thiolate
Smiles: Fc1ccc(cc1)CN1C(=NC(=O)/C(=C\NCC[NH+]2CCOCC2)/C1=O)[S-]

STL052484
Synonyms: 6- (2,6- dimethoxyphenyl)- 3- (5- phenyl- 1H- pyrazol- 3- yl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: COc1cccc(c1c1sc2n(n1)c(nn2)c1n[nH]c(c1)c1ccccc1)OC

STL052485
Synonyms: N- [(2- hydroxyquinolin- 4- yl)methyl]- N,2- dimethylpropanamide
Smiles: O=C(N(Cc1cc(O)nc2c1cccc2)C)C(C)C

STL052486
Synonyms: (5E)- 3- butyl- 5- {1- [(2,4- dimethoxyphenyl)amino]propylidene}- 6- hydroxypyrimidine- 2,4(3H,5H)- dione
Smiles: CCCCN1C(=O)N=C(/C(=C(\Nc2ccc(cc2OC)OC)/CC)/C1=O)O

STL052487
Synonyms: 2- (2- methoxyphenoxy)- N- [(2Z)- 5- (4- methoxyphenyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]acetamide
Smiles: COc1ccc(cc1)c1n[nH]/c(=N/C(=O)COc2ccccc2OC)/s1

STL052496
Synonyms: (2Z)- 2- [(3,5- dichlorophenyl)imino]- 7- phenyl- 2,6,7,8- tetrahydroquinazolin- 5(1H)- one
Smiles: Clc1cc(Cl)cc(c1)/N=c/1\ncc2c([nH]1)CC(CC2=O)c1ccccc1

STL052500
Synonyms: 1- (3- chloro- 4- methylphenyl)- 1',6'- dimethyl- 2,6- dioxo- 1,1',4',6- tetrahydro- 2H,2'H- spiro[pyrimidine- 5,3'- quinolinium]- 4- olate
Smiles: Cc1ccc2c(c1)CC1(C[NH+]2C)C(=NC(=O)N(C1=O)c1ccc(c(c1)Cl)C)[O-]

STL052508
Synonyms: 4- {[(E)- (2- methoxyphenyl)methylidene]amino}- 5- (5- phenyl- 1H- pyrazol- 3- yl)- 4H- 1,2,4- triazole- 3- thiol
Smiles: COc1ccccc1/C=N/n1c(S)nnc1c1n[nH]c(c1)c1ccccc1

STL052509
Synonyms: 2- chloro- N- [(3Z)- 1- ethyl- 6- methyl- 1,2- dihydro- 3H- pyrazolo[3,4- b]quinolin- 3- ylidene]benzamide
Smiles: CCn1[nH]/c(=N\C(=O)c2ccccc2Cl)/c2c1nc1ccc(cc1c2)C

STL052511
Synonyms: 3- (2,4,5,6- tetrahydrocyclopenta[c]pyrazol- 3- yl)- 6- (3,4,5- trimethoxyphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: COc1cc(cc(c1OC)OC)c1nn2c(s1)nnc2c1[nH]nc2c1CCC2

STL052521
Synonyms: 5- (3- chlorophenyl)- 4- {[(E)- (3- hydroxyphenyl)methylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Oc1cccc(c1)/C=N/n1c(=S)[nH]nc1c1cccc(c1)Cl

STL052524
Synonyms: 2- ({5- [(1S)- 1- amino- 3- (methylsulfanyl)propyl]- 1,3,4- oxadiazol- 2- yl}sulfanyl)- N- (2,6- dimethylphenyl)acetamide
Smiles: CSCC[C@@H](c1nnc(o1)SCC(=O)Nc1c(C)cccc1C)N

STL052531
Synonyms: N- (3,4- dimethylphenyl)- N'- [(2Z)- 5- propyl- 1,3,4- thiadiazol- 2(3H)- ylidene]butanediamide
Smiles: CCCc1n[nH]/c(=N/C(=O)CCC(=O)Nc2ccc(c(c2)C)C)/s1

STL052532
Synonyms: 2- [(7- methoxy- 4- methylquinazolin- 2- yl)amino]- 6- propylpyrimidin- 4- ol
Smiles: CCCc1nc(nc(c1)O)Nc1nc(C)c2c(n1)cc(cc2)OC

STL052539
Synonyms: ethylN- ({[5- (3- chlorophenyl)- 4- (prop- 2- en- 1- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetyl)glycinate
Smiles: C=CCn1c(SCC(=O)NCC(=O)OCC)nnc1c1cccc(c1)Cl

STL052541
Synonyms: 2- {[(2E)- 6- [(2- carboxylatophenyl)amino]pyrimidin- 2(1H)- ylidene]amino}benzoate
Smiles: [O-]C(=O)c1ccccc1Nc1ccn/c(=N/c2ccccc2C(=O)[O-])/[nH]1

STL052548
Synonyms: 3- (5- methyl- 1,2,4- oxadiazol- 3- yl)quinolin- 2(1H)- one
Smiles: Cc1onc(n1)c1cc2ccccc2[nH]c1=O

STL052549
Synonyms: 2,2'- {[2- (3- chloro- 1- benzothiophen- 2- yl)imidazolidinediium- 1,3- diyl]dimethanediyl}diphenolate
Smiles: [O-]c1ccccc1C[NH+]1CC[NH+](C1c1sc2c(c1Cl)cccc2)Cc1ccccc1[O-]

STL052552
Synonyms: 6- (3,5- dimethylpiperidin- 1- yl)- N~2~,N~2~- dimethyl- 5- nitropyrimidine- 2,4- diamine
Smiles: CC1CC(C)CN(C1)c1nc(nc(c1[N+](=O)[O-])N)N(C)C

STL052555
Synonyms: N- (3,4- difluorophenyl)- 2- {[4- (furan- 2- ylmethyl)- 5- (3- methylphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(c(c1)F)F)CSc1nnc(n1Cc1ccco1)c1cccc(c1)C

STL052558
Synonyms: N- (4- {[(1E)- 1- (2,6- dihydroxy- 4- oxopyrimidin- 5(4H)- ylidene)propyl]amino}phenyl)acetamide
Smiles: CC/C(=C\1/C(=NC(=NC1=O)O)O)/Nc1ccc(cc1)NC(=O)C

STL052582
Synonyms: (2Z)- 2- [(2- methoxyphenyl)imino]- 7- phenyl- 2,6,7,8- tetrahydroquinazolin- 5(1H)- one
Smiles: COc1ccccc1/N=c/1\ncc2c([nH]1)CC(CC2=O)c1ccccc1

STL052608
Synonyms: 2- hydroxy- 1,9- dimethyl- 8- propyl- 1,9- dihydro- 6H- purin- 6- one
Smiles: CCCc1nc2c(n1C)nc(n(c2=O)C)O

STL052610
Synonyms: 1- cyclopropyl- 6- fluoro- 8- methoxy- 7- [3- methyl- 4- (phenylcarbamothioyl)piperazin- 1- yl]- 4- oxo- 1,4- dihydroquinoline- 3- carboxylicacid
Smiles: COc1c(N2CCN(C(C2)C)C(=S)Nc2ccccc2)c(F)cc2c1n(cc(c2=O)C(=O)O)C1CC1

STL052630
Synonyms: 4- [2- (4- chlorophenyl)- 5- (4- fluorophenyl)- 4,6- dioxohexahydro- 2H- pyrrolo[3,4- d][1,2]oxazol- 3- yl]- 2- methoxyphenylbenzoate
Smiles: COc1cc(ccc1OC(=O)c1ccccc1)C1N(OC2C1C(=O)N(C2=O)c1ccc(cc1)F)c1ccc(cc1)Cl

STL052632
Synonyms: (2Z)- 3- {3- [(4- chlorobenzyl)oxy]phenyl}- 2- [(3- methyl- 1H- 1,2,4- triazol- 4- ium- 5- yl)sulfanyl]prop- 2- enoate
Smiles: Clc1ccc(cc1)COc1cccc(c1)/C=C(/C(=O)[O-])\Sc1[nH]nc([nH+]1)C

STL052642
Synonyms: 1- (2,2- dimethyltetrahydro- 2H- pyran- 4- yl)- 4- (3- nitrophenyl)- 4,6- dihydro- 1H- pyrazolo[3,4- e][1,4]thiazepine- 3,7- diol
Smiles: OC1=Nc2c(C(SC1)c1cccc(c1)[N+](=O)[O-])c(nn2C1CCOC(C1)(C)C)O

STL052657
Synonyms: 2- [4- ([1]benzofuro[3,2- d]pyrimidin- 4- yl)piperazin- 1- yl]ethanol
Smiles: OCCN1CCN(CC1)c1ncnc2c1oc1c2cccc1

STL052658
Synonyms: N'- [(E)- (5- chloro- 2- hydroxyphenyl)methylidene]- 2- [(2- methyl- 4- oxoquinazolin- 3(4H)- yl)oxy]acetohydrazide
Smiles: O=C(COn1c(C)nc2c(c1=O)cccc2)N/N=C/c1cc(Cl)ccc1O

STL052659
Synonyms: N- [(2E)- 5- [(4- fluorophenoxy)methyl]- 1,3,4- thiadiazol- 2(3H)- ylidene]furan- 2- carboxamide
Smiles: Fc1ccc(cc1)OCc1n[nH]/c(=N\C(=O)c2ccco2)/s1

STL052666
Synonyms: 1- (pentan- 2- yl)- 4- (2- propoxyphenyl)- 4,6- dihydro- 1H- pyrazolo[3,4- e][1,4]thiazepine- 3,7- diol
Smiles: CCCOc1ccccc1C1SCC(=Nc2c1c(O)nn2C(CCC)C)O

STL052680
Synonyms: (5E)- 1- (2- fluorophenyl)- 5- [(3- methyl- 5- oxo- 1- phenyl- 4,5- dihydro- 1H- pyrazol- 4- yl)methylidene]- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: CC1=NN(C(=O)C1/C=C/1\C(=O)N=C(N(C1=O)c1ccccc1F)S)c1ccccc1

STL052686
Synonyms: 2- methyl- N- [(2E)- 5- (pyridin- 3- yl)- 1,3,4- thiadiazol- 2(3H)- ylidene]propanamide
Smiles: O=C(C(C)C)/N=c/1\[nH]nc(s1)c1cccnc1

STL052693
Synonyms: 6- (4- methoxyphenyl)- 3- (5- phenyl- 1H- pyrazol- 3- yl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: COc1ccc(cc1)C1=Nn2c(SC1)nnc2c1n[nH]c(c1)c1ccccc1

STL052697
Synonyms: 2- {4- [2- methoxy- 4- (prop- 2- en- 1- yl)phenoxy]quinazolin- 1- ium- 2- yl}phenolate
Smiles: C=CCc1ccc(c(c1)OC)Oc1nc([nH+]c2c1cccc2)c1ccccc1[O-]

STL052701
Synonyms: N- (5- oxo- 7- phenyl- 3,5,6,7- tetrahydro[1,2,4]triazolo[1,5- a]pyrimidin- 2- yl)pyridine- 4- carboxamide
Smiles: O=C1N=c2[nH]c(nn2C(C1)c1ccccc1)NC(=O)c1ccncc1

STL052705
Synonyms: (5Z)- 5- {1- [(2,4- dimethoxyphenyl)amino]ethylidene}- 6- hydroxy- 3- (prop- 2- en- 1- yl)pyrimidine- 2,4(3H,5H)- dione
Smiles: C=CCN1C(=O)N=C(/C(=C(/Nc2ccc(cc2OC)OC)\C)/C1=O)O

STL052709
Synonyms: 3- (4- bromophenyl)tetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- imine5,5- dioxide
Smiles: N=C1SC2C(N1c1ccc(cc1)Br)CS(=O)(=O)C2

STL052718
Synonyms: (2Z)- 3- (3- methoxyphenyl)- 2- [(3- methyl- 1H- 1,2,4- triazol- 4- ium- 5- yl)sulfanyl]prop- 2- enoate
Smiles: COc1cccc(c1)/C=C(/C(=O)[O-])\Sc1[nH]nc([nH+]1)C

STL052721
Synonyms: N- (2- {2- [(Z)- (1- cyclohexyl- 4- hydroxy- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene)methyl]- 1H- indol- 3- yl}ethyl)acetamide
Smiles: CC(=O)NCCc1c(/C=C\2/C(=NC(=O)N(C2=O)C2CCCCC2)O)[nH]c2c1cccc2

STL052724
Synonyms: 4- [4- (5- fluoro- 2- methoxybenzyl)piperazin- 1- yl]- N- [(2Z)- 5- (2- methylpropyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]- 4- oxobutanamide
Smiles: COc1ccc(cc1CN1CCN(CC1)C(=O)CCC(=O)/N=c\1/[nH]nc(s1)CC(C)C)F

STL052725
Synonyms: 1- [2- (4- fluorophenyl)ethyl]- 1',6'- dimethyl- 2,6- dioxo- 1,1',4',6- tetrahydro- 2H,2'H- spiro[pyrimidine- 5,3'- quinolinium]- 4- olate
Smiles: Fc1ccc(cc1)CCN1C(=O)N=C(C2(C1=O)Cc1cc(C)ccc1[NH+](C2)C)[O-]

STL052736
Synonyms: (E)- {2- [4- (dimethylamino)phenyl]- 1- [3- (1H- imidazol- 3- ium- 1- yl)propyl]- 4,5- dioxopyrrolidin- 3- ylidene}(2- methyl- 2,3- dihydro- 1- benzofuran- 5- yl)methanolate
Smiles: CC1Oc2c(C1)cc(cc2)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)N(C)C)CCCn1c[nH+]cc1)/[O-]

STL052744
Synonyms: ethyl{(5Z)- 5- [(phenylcarbonyl)imino]- 4,5- dihydro- 1,3,4- thiadiazol- 2- yl}acetate
Smiles: CCOC(=O)Cc1n[nH]/c(=N/C(=O)c2ccccc2)/s1

STL052752
Synonyms:
Smiles: CCCCOCCCNC(=O)N[C@@H](C(CC)C)C(=O)O

STL052756
Synonyms: 3- (5- hydroxy- 3- methyl- 1- phenyl- 1H- pyrazol- 4- yl)- 6,6- dimethyl- 1- phenyl- 3- (trifluoromethyl)- 3,5,6,7- tetrahydro- 1H- indole- 2,4- dione
Smiles: O=C1CC(C)(C)CC2=C1C(C(=O)N2c1ccccc1)(c1c(C)nn(c1O)c1ccccc1)C(F)(F)F

STL052768
Synonyms: 6- amino- 4- (2,5- dimethoxyphenyl)- 3- (4- ethoxy- 3- methoxyphenyl)- 2,4- dihydropyrano[2,3- c]pyrazole- 5- carbonitrile
Smiles: CCOc1ccc(cc1OC)c1[nH]nc2c1C(C(=C(O2)N)C#N)c1cc(OC)ccc1OC

STL052782
Synonyms: N- (4- methoxyphenyl)- 4- {[(3Z)- 3- {[(4- nitrophenyl)sulfonyl]imino}- 3,4- dihydroquinoxalin- 2- yl]amino}benzamide
Smiles: COc1ccc(cc1)NC(=O)c1ccc(cc1)Nc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1ccc(cc1)[N+](=O)[O-]

STL052789
Synonyms: 4- [(4Z)- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4(3H)- ylideneamino]benzamide
Smiles: NC(=O)c1ccc(cc1)/N=c/1\[nH]cnc2c1c1CCCCc1s2

STL052812
Synonyms: tert- butyl[(1S)- 1- {5- [(4- methylbenzyl)sulfonyl]- 1,3,4- oxadiazol- 2- yl}ethyl]carbamate
Smiles: O=C(OC(C)(C)C)N[C@H](c1nnc(o1)S(=O)(=O)Cc1ccc(cc1)C)C

STL052825
Synonyms:
Smiles: CCC([C@@H](C(=O)O)NC(=O)Nc1ccc(c(c1)Cl)C)C

STL052840
Synonyms: methyl6'- amino- 1- (2- chlorobenzyl)- 3'- methyl- 2- oxo- 1,2- dihydro- 2'H- spiro[indole- 3,4'- pyrano[2,3- c]pyrazole]- 5'- carboxylate
Smiles: COC(=O)C1=C(N)Oc2c(C31C(=O)N(c1c3cccc1)Cc1ccccc1Cl)c(C)[nH]n2

STL052857
Synonyms: 4- {[(E)- (2- methylphenyl)methylidene]amino}- 5- (5- phenyl- 1H- pyrazol- 3- yl)- 4H- 1,2,4- triazole- 3- thiol
Smiles: Cc1ccccc1/C=N/n1c(S)nnc1c1n[nH]c(c1)c1ccccc1

STL052877
Synonyms: (5Z)- 3- tert- butyl- 5- {[(2,5- dimethoxyphenyl)amino]methylidene}- 6- hydroxypyrimidine- 2,4(3H,5H)- dione
Smiles: COc1ccc(cc1N/C=C\1/C(=NC(=O)N(C1=O)C(C)(C)C)O)OC

STL052879
Synonyms: N- [(2- methoxyethyl)carbamoyl]- D- phenylalanine
Smiles: COCCNC(=O)N[C@@H](C(=O)O)Cc1ccccc1

STL052887
Synonyms: (2Z)- 2- [(4,6- dimethylpyrimidin- 2- yl)imino]- 6- hydroxy- 3- (4- methoxyphenyl)- 2,3,4,5- tetrahydropyrimidine- 4- carboxylicacid
Smiles: COc1ccc(cc1)N1/C(=N/c2nc(C)cc(n2)C)/N=C(CC1C(=O)O)O

STL052891
Synonyms: 2- (5- methyl- 2- oxotetrahydrofuran- 3- yl)- N- [(2E)- 4- phenyl- 1,3- thiazol- 2(3H)- ylidene]acetamide
Smiles: CC1CC(C(=O)O1)CC(=O)/N=c\1/scc([nH]1)c1ccccc1

STL052903
Synonyms: 6- methoxy- 3- [5- (3- methoxyphenyl)- 1,2,4- oxadiazol- 3- yl]quinolin- 2(1H)- one
Smiles: COc1cccc(c1)c1onc(n1)c1cc2cc(OC)ccc2[nH]c1=O

STL052906
Synonyms: (2E)- 7- (4- methoxyphenyl)- 2- [(4- methoxyphenyl)imino]- 2,6,7,8- tetrahydroquinazolin- 5(1H)- one
Smiles: COc1ccc(cc1)/N=c\1/ncc2c([nH]1)CC(CC2=O)c1ccc(cc1)OC

STL052918
Synonyms: (E)- [4,5- dioxo- 1- (pyridinium- 3- ylmethyl)- 2- (pyridin- 4- yl)pyrrolidin- 3- ylidene][4- (prop- 2- en- 1- yloxy)phenyl]methanolate
Smiles: C=CCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccncc1)Cc1ccc[nH+]c1)/[O-]

STL052921
Synonyms: 4- (4- methylphenyl)- 1- (pentan- 2- yl)- 4,6- dihydro- 1H- pyrazolo[3,4- e][1,4]thiazepine- 3,7- diol
Smiles: CCCC(n1nc(c2c1N=C(O)CSC2c1ccc(cc1)C)O)C

STL052932
Synonyms: 4- {[7- (4- chlorophenyl)- 5- oxo- 3,5,6,7- tetrahydro[1,2,4]triazolo[1,5- a]pyrimidin- 2- yl]amino}- 4- oxobutanoicacid
Smiles: O=C(Nc1nn2c(=NC(=O)CC2c2ccc(cc2)Cl)[nH]1)CCC(=O)O

STL052946
Synonyms: 4- (6- ethyl- 1,3- dimethyl- 2,4- dioxo- 7- phenyl- 1,2,3,4- tetrahydro- 8H- imidazo[2,1- f]purin- 9- ium- 8- yl)phenolate
Smiles: CCc1c(c2ccccc2)n(c2n1c1c([nH+]2)n(C)c(=O)n(c1=O)C)c1ccc(cc1)[O-]

STL052948
Synonyms: (2Z)- 3- oxo- 2- (pyridinium- 4- ylmethylidene)- 2,3- dihydro- 1- benzofuran- 6- olate
Smiles: [O-]c1ccc2c(c1)O/C(=C\c1cc[nH+]cc1)/C2=O

STL052950
Synonyms: methylN- [(4- phenylbutan- 2- yl)carbamoyl]- L- phenylalaninate
Smiles: COC(=O)[C@H](Cc1ccccc1)NC(=O)NC(CCc1ccccc1)C

STL052966
Synonyms: N- [(2Z)- 3- (cyclohexylamino)quinoxalin- 2(1H)- ylidene]thiophene- 2- sulfonamide
Smiles: O=S(=O)(c1cccs1)/N=c/1\[nH]c2ccccc2nc1NC1CCCCC1

STL052967
Synonyms: 2,6- dimethoxy- 4- {(E)- [2- (4- methylquinolin- 2- yl)hydrazinylidene]methyl}phenylacetate
Smiles: COc1cc(/C=N/Nc2cc(C)c3c(n2)cccc3)cc(c1OC(=O)C)OC

STL052974
Synonyms: (2S)- N'- [(E)- quinolin- 8- ylmethylidene]pyrrolidine- 2- carbohydrazide(non- preferredname)
Smiles: O=C([C@@H]1CCCN1)N/N=C/c1cccc2c1nccc2

STL052981
Synonyms: 3,6- dichloro- N- [(2E)- 4- (3,4- dimethoxyphenyl)- 1,3- thiazol- 2(3H)- ylidene]- 1- benzothiophene- 2- carboxamide
Smiles: COc1cc(ccc1OC)c1cs/c(=N/C(=O)c2sc3c(c2Cl)ccc(c3)Cl)/[nH]1

STL052983
Synonyms: methylN- acetyl- N- (4- {[(3Z)- 3- {[(4- chlorophenyl)sulfonyl]imino}- 3,4- dihydroquinoxalin- 2- yl]amino}phenyl)- beta- alaninate
Smiles: COC(=O)CCN(c1ccc(cc1)Nc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1ccc(cc1)Cl)C(=O)C

STL052989
Synonyms: 2- [(2- methylbenzyl)sulfanyl]- 5- [(2S)- pyrrolidin- 2- yl]- 1,3,4- oxadiazole
Smiles: Cc1ccccc1CSc1nnc(o1)[C@@H]1CCCN1

STL052993
Synonyms: (5Z)- 1- heptyl- 5- ({[3- (morpholin- 4- ium- 4- yl)propyl]amino}methylidene)- 2,6- dioxo- 1,2,5,6- tetrahydropyrimidin- 4- olate
Smiles: CCCCCCCN1C(=O)N=C(/C(=C/NCCC[NH+]2CCOCC2)/C1=O)[O-]

STL052995
Synonyms: 3- (3- methoxyphenoxy)- 8- [(4- methylpiperazin- 1- ium- 1- yl)methyl]- 4- oxo- 4H- chromen- 7- olate
Smiles: COc1cccc(c1)Oc1coc2c(c1=O)ccc(c2C[NH+]1CCN(CC1)C)[O-]

STL052996
Synonyms: 4- {[(1E)- 1- (2,6- dihydroxy- 4- oxopyrimidin- 5(4H)- ylidene)propyl]amino}benzoicacid
Smiles: CC/C(=C\1/C(=NC(=NC1=O)O)O)/Nc1ccc(cc1)C(=O)O

STL053003
Synonyms: 4- hydroxy- 9- (4- methoxyphenyl)- 1,7- dimethyl- 6,7,8,9- tetrahydropyrimido[2,1- f]purin- 2(1H)- one
Smiles: COc1ccc(cc1)N1CC(C)Cn2c1nc1c2c(O)nc(=O)n1C

STL053004
Synonyms:
Smiles: [O-][N+](=O)c1c(NCCCC)ccc2c1nsn2

STL053015
Synonyms: N- {1- [2- (3,4- dimethoxyphenyl)ethyl]- 4- hydroxy- 2,6- dioxo- 5- (trifluoromethyl)- 2,5,6,7- tetrahydro- 1H- pyrrolo[2,3- d]pyrimidin- 5- yl}propanamide
Smiles: CCC(=O)NC1(C(=O)Nc2c1c(O)nc(=O)n2CCc1ccc(c(c1)OC)OC)C(F)(F)F

STL053019
Synonyms: 2- (3,5- dimethyl- 4- nitro- 1H- pyrazol- 1- yl)- N'- [(E)- (4- methoxyphenyl)methylidene]acetohydrazide
Smiles: COc1ccc(cc1)/C=N/NC(=O)Cn1nc(c(c1C)[N+](=O)[O-])C

STL053021
Synonyms: 4- (azepan- 1- yl)- N- [(2Z)- 5- cyclohexyl- 1,3,4- thiadiazol- 2(3H)- ylidene]- 4- oxobutanamide
Smiles: O=C(/N=c\1/[nH]nc(s1)C1CCCCC1)CCC(=O)N1CCCCCC1

STL053022
Synonyms: 8- [(4- ethylpiperazin- 1- ium- 1- yl)methyl]- 3- (4- methoxyphenyl)- 4- oxo- 4H- chromen- 7- olate
Smiles: CCN1CC[NH+](CC1)Cc1c([O-])ccc2c1occ(c2=O)c1ccc(cc1)OC

STL053026
Synonyms: 2- ({5- [(1S)- 1- aminoethyl]- 1,3,4- oxadiazol- 2- yl}sulfanyl)- N- (2- ethylphenyl)acetamide
Smiles: CCc1ccccc1NC(=O)CSc1nnc(o1)[C@@H](N)C

STL053028
Synonyms: (8- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl4- ethoxybenzoate
Smiles: CCOc1ccc(cc1)C(=O)OCc1cc2cccc(c2[nH]c1=O)C

STL053036
Synonyms: 4- (1- azabicyclo[2.2.2]oct- 2- ylmethyl)phenol
Smiles: Oc1ccc(cc1)CC1CC2CCN1CC2

STL053039
Synonyms: N- {(E)- [1- (4- chlorophenyl)- 4,6- dioxo- 2- sulfanyl- 1,6- dihydropyrimidin- 5(4H)- ylidene]methyl}methionine
Smiles: CSCCC(C(=O)O)N/C=C/1\C(=O)N=C(N(C1=O)c1ccc(cc1)Cl)S

STL053066
Synonyms: 2- {4- [4- (propan- 2- yl)phenoxy]quinazolin- 1- ium- 2- yl}phenolate
Smiles: [O-]c1ccccc1c1nc(Oc2ccc(cc2)C(C)C)c2c([nH+]1)cccc2

STL053068
Synonyms: 2- (4- benzylpiperazin- 1- yl)- 5,6,7,8- tetrahydroquinazolin- 4- ol
Smiles: Oc1nc(nc2c1CCCC2)N1CCN(CC1)Cc1ccccc1

STL053081
Synonyms: 4- {(3E)- 2- (4- fluorophenyl)- 3- [hydroxy(phenyl)methylidene]- 4,5- dioxopyrrolidin- 1- yl}benzenesulfonamide
Smiles: Fc1ccc(cc1)C1/C(=C(/c2ccccc2)\O)/C(=O)C(=O)N1c1ccc(cc1)S(=O)(=O)N

STL053093
Synonyms: N- [(2E)- 6- (ethylsulfamoyl)- 1,3- benzothiazol- 2(3H)- ylidene]pyridine- 4- carboxamide
Smiles: CCNS(=O)(=O)c1ccc2c(c1)s/c(=N/C(=O)c1ccncc1)/[nH]2

STL053094
Synonyms: 4- {[(E)- (2- hydroxyphenyl)methylidene]amino}- 5- (pyridin- 2- yl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Oc1ccccc1/C=N/n1c(=S)[nH]nc1c1ccccn1

STL053096
Synonyms: (5Z)- 5- {1- [(3,5- dimethoxybenzyl)amino]propylidene}- 2,6- dihydroxypyrimidin- 4(5H)- one
Smiles: COc1cc(CN/C(=C\2/C(=NC(=NC2=O)O)O)/CC)cc(c1)OC

STL053106
Synonyms: 2- (4- chlorophenoxy)- N- [7- (4- chlorophenyl)- 5- oxo- 3,5,6,7- tetrahydro[1,2,4]triazolo[1,5- a]pyrimidin- 2- yl]acetamide
Smiles: Clc1ccc(cc1)OCC(=O)Nc1nn2c(=NC(=O)CC2c2ccc(cc2)Cl)[nH]1

STL053107
Synonyms:
Smiles: CCC([C@@H](C(=O)OC)NC(=O)NCc1ccc(cc1)Cl)C

STL053115
Synonyms:
Smiles: CCC([C@@H](C(=O)OC)NC(=O)NCc1ccccn1)C

STL053116
Synonyms: 3- ({(1E)- 1- [1- (4- chlorophenyl)- 4- hydroxy- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene]propyl}amino)benzoicacid
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccc(cc1)Cl)O)/Nc1cccc(c1)C(=O)O

STL053117
Synonyms: N- {(E)- [4- hydroxy- 1- (naphthalen- 1- yl)- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene]methyl}tryptophan
Smiles: OC(=O)C(Cc1c[nH]c2c1cccc2)N/C=C/1\C(=NC(=O)N(C1=O)c1cccc2c1cccc2)O

STL053132
Synonyms: (5E)- 5- {1- [(1- benzylpiperidinium- 4- yl)amino]ethylidene}- 4,6- dioxo- 1- (prop- 2- en- 1- yl)- 1,4,5,6- tetrahydropyrimidin- 2- olate
Smiles: C=CCN1C(=NC(=O)/C(=C(\NC2CC[NH+](CC2)Cc2ccccc2)/C)/C1=O)[O-]

STL053135
Synonyms: 2- ethyl4- methyl5- [3- {3- methoxy- 4- [(phenylcarbonyl)oxy]phenyl}- 2- (3- nitrophenyl)- 4,6- dioxohexahydro- 5H- pyrrolo[3,4- d][1,2]oxazol- 5- yl]- 3- methylthiophene- 2,4- dicarboxylate
Smiles: CCOC(=O)c1sc(c(c1C)C(=O)OC)N1C(=O)C2C(C1=O)C(N(O2)c1cccc(c1)[N+](=O)[O-])c1ccc(c(c1)OC)OC(=O)c1ccccc1

STL053138
Synonyms: (2E)- 3- (4- ethoxyphenyl)- 2- [(3- methyl- 1H- 1,2,4- triazol- 4- ium- 5- yl)sulfanyl]prop- 2- enoate
Smiles: CCOc1ccc(cc1)/C=C(\C(=O)[O-])/Sc1[nH]nc([nH+]1)C

STL053140
Synonyms: 4- oxo- 4- [2- (4- {3- oxo- 3- [2- (trifluoromethyl)- 10H- phenothiazin- 10- yl]propyl}piperazin- 1- ium- 1- yl)ethoxy]butanoate
Smiles: [O-]C(=O)CCC(=O)OCC[NH+]1CCN(CC1)CCC(=O)N1c2ccccc2Sc2c1cc(cc2)C(F)(F)F

STL053155
Synonyms: (2Z)- 6- (azepan- 1- yl)- 2- [(4- methoxyphenyl)imino]- 5- nitro- 1,2- dihydropyrimidin- 4- amine
Smiles: COc1ccc(cc1)/N=c/1\nc(N)c(c([nH]1)N1CCCCCC1)[N+](=O)[O-]

STL053173
Synonyms: 3,4,5- trimethoxy- N- [(3Z)- 7- methyl- 1- propyl- 1,2- dihydro- 3H- pyrazolo[3,4- b]quinolin- 3- ylidene]benzamide
Smiles: CCCn1[nH]/c(=N\C(=O)c2cc(OC)c(c(c2)OC)OC)/c2c1nc1cc(C)ccc1c2

STL053183
Synonyms: 4- {[(1E)- 1- (1- butyl- 4- hydroxy- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene)ethyl]amino}benzoicacid
Smiles: CCCCN1C(=O)N=C(/C(=C(\Nc2ccc(cc2)C(=O)O)/C)/C1=O)O

STL053185
Synonyms: N- [(3Z)- 1- ethyl- 6- methyl- 1,2- dihydro- 3H- pyrazolo[3,4- b]quinolin- 3- ylidene]- 4- methoxybenzamide
Smiles: COc1ccc(cc1)C(=O)/N=c/1\[nH]n(c2c1cc1cc(C)ccc1n2)CC

STL053187
Synonyms: N- [(4- phenoxyphenyl)carbamoyl]- L- methionine
Smiles: CSCC[C@@H](C(=O)O)NC(=O)Nc1ccc(cc1)Oc1ccccc1

STL053201
Synonyms: (1S)- 1- [6- (4- chlorophenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazin- 3- yl]- 2- phenylethanamine
Smiles: Clc1ccc(cc1)C1=Nn2c(SC1)nnc2[C@H](Cc1ccccc1)N

STL053203
Synonyms: N'- {(1Z)- 1- [4- hydroxy- 2,6- dioxo- 1- (prop- 2- en- 1- yl)- 1,6- dihydropyrimidin- 5(2H)- ylidene]propyl}pentanehydrazide
Smiles: CCCCC(=O)NN/C(=C\1/C(=NC(=O)N(C1=O)CC=C)O)/CC

STL053221
Synonyms: 3- [(1Z)- 2- hydroxy- 4- methylpent- 1- en- 1- yl]- 6- methyl- 2H- 1,4- benzoxazin- 2- one
Smiles: CC(C/C(=C/c1nc2cc(C)ccc2oc1=O)/O)C

STL053227
Synonyms: N- [(2Z)- 5- (2- chlorophenyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]- 2- phenoxypropanamide
Smiles: O=C(C(Oc1ccccc1)C)/N=c\1/[nH]nc(s1)c1ccccc1Cl

STL053229
Synonyms: 3- [5- (2- ethoxyphenyl)- 1,2,4- oxadiazol- 3- yl]- 7- methylquinolin- 2(1H)- one
Smiles: CCOc1ccccc1c1onc(n1)c1cc2ccc(cc2[nH]c1=O)C

STL053231
Synonyms: 1- (2- methoxyphenyl)- 2,6- dioxo- 5- (3- oxo- 1,3- dihydro- 2- benzofuran- 1- yl)- 1,2,3,6- tetrahydropyrimidin- 4- olate
Smiles: COc1ccccc1n1c(=O)[nH]c(c(c1=O)C1OC(=O)c2c1cccc2)[O-]

STL053235
Synonyms: 2- [4- (2,4- dimethylphenoxy)quinazolin- 1- ium- 2- yl]phenolate
Smiles: Cc1ccc(c(c1)C)Oc1nc([nH+]c2c1cccc2)c1ccccc1[O-]

STL053245
Synonyms: 3- (3,4- dimethoxyphenyl)- 8- {[4- (2- hydroxyethyl)piperazin- 1- ium- 1- yl]methyl}- 4- oxo- 4H- chromen- 7- olate
Smiles: OCCN1CC[NH+](CC1)Cc1c([O-])ccc2c1occ(c2=O)c1ccc(c(c1)OC)OC

STL053248
Synonyms: [(4- ammonio- 6- ethyl- 6- methyl- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl)sulfanyl]acetate
Smiles: CCC1(C)OCc2c(C1)c1c([NH3+])nc(nc1s2)SCC(=O)[O-]

STL053260
Synonyms: 7- [(2Z)- 3- chlorobut- 2- en- 1- yl]- 8- [(furan- 2- ylmethyl)amino]- 6- hydroxy- 3- methyl- 3,7- dihydro- 2H- purin- 2- one
Smiles: C/C(=C/Cn1c(NCc2ccco2)nc2c1c(O)nc(=O)n2C)/Cl

STL053264
Synonyms: 2- {[3- (imidazo[1,2- a]pyridin- 1- ium- 2- yl)phenyl]carbamoyl}benzoate
Smiles: [O-]C(=O)c1ccccc1C(=O)Nc1cccc(c1)c1[nH+]c2n(c1)cccc2

STL053272
Synonyms: 1- (1,3- benzothiazol- 2- yl)- 4- (4- hydroxyquinolin- 2- yl)- 3- methyl- 1H- pyrazol- 5- olate
Smiles: Oc1cc(nc2c1cccc2)c1c(C)nn(c1[O-])c1nc2c(s1)cccc2

STL053279
Synonyms: 3- chloro- N- [(4Z)- 5,6- dimethylthieno[2,3- d]pyrimidin- 4(1H)- ylidene]- 4- methylaniline
Smiles: Clc1cc(ccc1C)/N=c/1\nc[nH]c2c1c(C)c(s2)C

STL053280
Synonyms: 2- (4- fluorophenoxy)- N- [(2Z)- 5- (4- methoxyphenyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]acetamide
Smiles: COc1ccc(cc1)c1n[nH]/c(=N/C(=O)COc2ccc(cc2)F)/s1

STL053286
Synonyms: amino{[(1,1- dioxido- 2,5- dihydrothiophen- 3- yl)methyl]sulfanyl}methaniminium
Smiles: NC(=[NH2+])SCC1=CCS(=O)(=O)C1

STL053289
Synonyms: (11E)- 11- [(3- methoxyphenyl)imino]- 5,7,8,9,10,11- hexahydrobenzimidazo[1,2- b]isoquinoline- 6- carbonitrile
Smiles: COc1cccc(c1)/N=c/1\c2CCCCc2c(c2n1c1ccccc1[nH]2)C#N

STL053302
Synonyms: 4- {[2- (2- {(Z)- [1- (4- fluorobenzyl)- 4,6- dioxo- 2- sulfanyl- 1,6- dihydropyrimidin- 5(4H)- ylidene]methyl}- 1H- indol- 3- yl)ethyl]amino}- 4- oxobutanoicacid
Smiles: O=C(CCC(=O)O)NCCc1c(/C=C\2/C(=O)N=C(N(C2=O)Cc2ccc(cc2)F)S)[nH]c2c1cccc2

STL053308
Synonyms: (4Z)- 6- [(4- benzylpiperidin- 1- yl)methyl]- 4- [(4- methylphenyl)imino]- 4,5- dihydro- 1,3,5- triazin- 2- amine
Smiles: Cc1ccc(cc1)/N=c/1\nc(N)nc([nH]1)CN1CCC(CC1)Cc1ccccc1

STL053310
Synonyms: 1- (4- chlorobenzyl)- 1H- benzimidazol- 3- ium- 2- sulfonate
Smiles: Clc1ccc(cc1)Cn1c2ccccc2[nH+]c1S(=O)(=O)[O-]

STL053315
Synonyms: ethyl[(5E)- 5- {[(2- nitrophenyl)carbonyl]imino}- 4,5- dihydro- 1,3,4- thiadiazol- 2- yl]acetate
Smiles: CCOC(=O)Cc1n[nH]/c(=N\C(=O)c2ccccc2[N+](=O)[O-])/s1

STL053317
Synonyms: (2E)- 3- (2- chlorophenyl)- 2- [(3- methyl- 1H- 1,2,4- triazol- 4- ium- 5- yl)sulfanyl]prop- 2- enoate
Smiles: [O-]C(=O)/C(=C\c1ccccc1Cl)/Sc1[nH]nc([nH+]1)C

STL053321
Synonyms: (4- chlorophenyl){4- [(dipropylamino)methyl]- 5- hydroxy- 2- methyl- 1- benzofuran- 3- yl}methanone
Smiles: CCCN(Cc1c(O)ccc2c1c(c(o2)C)C(=O)c1ccc(cc1)Cl)CCC

STL053345
Synonyms: N- benzyl- 2,3- dihydrothiophen- 3- aminium1,1- dioxide
Smiles: O=S1(=O)C=CC(C1)[NH2+]Cc1ccccc1

STL053359
Synonyms: 4- (4- methoxyphenyl)- 1- (propan- 2- yl)- 4,6- dihydro- 1H- pyrazolo[3,4- e][1,4]thiazepine- 3,7- diol
Smiles: COc1ccc(cc1)C1SCC(=Nc2c1c(O)nn2C(C)C)O

STL053367
Synonyms: 3- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 8- (morpholin- 4- ium- 4- ylmethyl)- 4- oxo- 4H- chromen- 7- olate
Smiles: [O-]c1ccc2c(c1C[NH+]1CCOCC1)occ(c2=O)c1ccc2c(c1)OCCO2

STL053368
Synonyms: 4- (dibenzylsulfamoyl)benzoicacid
Smiles: OC(=O)c1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)Cc1ccccc1

STL053380
Synonyms: N,N- bis(4- fluorobenzyl)- 2- (5- methoxy- 1H- indol- 3- yl)ethanamine
Smiles: COc1ccc2c(c1)c(CCN(Cc1ccc(cc1)F)Cc1ccc(cc1)F)c[nH]2

STL053385
Synonyms: 3- (benzylammonio)- 4- [(3- fluorophenyl)amino]- 4- oxobutanoate
Smiles: [O-]C(=O)CC(C(=O)Nc1cccc(c1)F)[NH2+]Cc1ccccc1

STL053401
Synonyms: 1- (3,4- dimethylphenyl)- 1',6'- dimethyl- 2,6- dioxo- 1,1',4',6- tetrahydro- 2H,2'H- spiro[pyrimidine- 5,3'- quinolinium]- 4- olate
Smiles: Cc1ccc2c(c1)CC1(C[NH+]2C)C(=NC(=O)N(C1=O)c1ccc(c(c1)C)C)[O-]

STL053436
Synonyms: methylN- [(2- chlorobenzyl)carbamoyl]- D- methioninate
Smiles: CSCC[C@H](C(=O)OC)NC(=O)NCc1ccccc1Cl

STL053443
Synonyms: N- [4- hydroxy- 2,6- dioxo- 1- phenyl- 5- (trifluoromethyl)- 2,5,6,7- tetrahydro- 1H- pyrrolo[2,3- d]pyrimidin- 5- yl]thiophene- 2- carboxamide
Smiles: O=C1Nc2c(C1(NC(=O)c1cccs1)C(F)(F)F)c(O)nc(=O)n2c1ccccc1

STL053445
Synonyms: (5Z)- 1- [2- (4- methoxyphenyl)ethyl]- 5- {[(4- methylpiperazin- 4- ium- 1- yl)amino]methylidene}- 2,6- dioxo- 1,2,5,6- tetrahydropyrimidin- 4- olate
Smiles: COc1ccc(cc1)CCN1C(=O)N=C(/C(=C/NN2CC[NH+](CC2)C)/C1=O)[O-]

STL053451
Synonyms: 4- {[(6- bromo- 3H- imidazo[4,5- b]pyridin- 1- ium- 2- yl)sulfanyl]methyl}benzoate
Smiles: Brc1cnc2c(c1)[nH+]c([nH]2)SCc1ccc(cc1)C(=O)[O-]

STL053455
Synonyms: N'- {(E)- [1- (butan- 2- yl)- 4,6- dioxo- 2- sulfanyl- 1,6- dihydropyrimidin- 5(4H)- ylidene]methyl}benzohydrazide
Smiles: CCC(N1C(=NC(=O)/C(=C\NNC(=O)c2ccccc2)/C1=O)S)C

STL053465
Synonyms: N- (5- oxo- 7- phenyl- 3,5,6,7- tetrahydro[1,2,4]triazolo[1,5- a]pyrimidin- 2- yl)pyridine- 2- carboxamide
Smiles: O=C1N=c2[nH]c(nn2C(C1)c1ccccc1)NC(=O)c1ccccn1

STL053472
Synonyms: N- {[4- (3,4- dimethoxyphenyl)tetrahydro- 2H- pyran- 4- yl]methyl}- 4- methoxy- 3- nitrobenzamide
Smiles: COc1ccc(cc1OC)C1(CCOCC1)CNC(=O)c1ccc(c(c1)[N+](=O)[O-])OC

STL053481
Synonyms: 2- (5,6- dihydrobenzimidazo[1,2- c]quinazolin- 12- ium- 6- yl)phenolate
Smiles: [O-]c1ccccc1C1Nc2ccccc2c2n1c1ccccc1[nH+]2

STL053492
Synonyms: N- [(3Z)- 6- methoxy- 1- (2- methylpropyl)- 1,2- dihydro- 3H- pyrazolo[3,4- b]quinolin- 3- ylidene]cyclohexanecarboxamide
Smiles: COc1ccc2c(c1)cc1c(n2)n([nH]/c/1=N\C(=O)C1CCCCC1)CC(C)C

STL053495
Synonyms: (2E)- 3- (3- chloro- 4- methoxyphenyl)- 2- [(3- methyl- 1H- 1,2,4- triazol- 4- ium- 5- yl)sulfanyl]prop- 2- enoate
Smiles: COc1ccc(cc1Cl)/C=C(\C(=O)[O-])/Sc1[nH]nc([nH+]1)C

STL053498
Synonyms: 2- [(6- methoxy- 4- methylquinazolin- 2- yl)amino]- 6- methyl- 5- pentylpyrimidin- 4- ol
Smiles: CCCCCc1c(C)nc(nc1O)Nc1nc(C)c2c(n1)ccc(c2)OC

STL053518
Synonyms: 3- {[(2,4- dimethylphenyl)sulfonyl]amino}- 1H- indole- 2- carboxylicacid
Smiles: Cc1ccc(c(c1)C)S(=O)(=O)Nc1c([nH]c2c1cccc2)C(=O)O

STL053519
Synonyms: [4- (1,3- benzothiazol- 3- ium- 2- ylacetyl)- 2- ethyl- 5- hydroxyphenoxy]acetate
Smiles: CCc1cc(C(=O)Cc2sc3c([nH+]2)cccc3)c(cc1OCC(=O)[O-])O

STL053530
Synonyms: (1S)- 2- (1H- indol- 3- yl)- 1- [5- (propan- 2- ylsulfanyl)- 1,3,4- oxadiazol- 2- yl]ethanamine
Smiles: CC(Sc1nnc(o1)[C@H](Cc1c[nH]c2c1cccc2)N)C

STL053541
Synonyms: 2- {4- [4- (methoxycarbonyl)phenoxy]quinazolin- 1- ium- 2- yl}phenolate
Smiles: COC(=O)c1ccc(cc1)Oc1nc([nH+]c2c1cccc2)c1ccccc1[O-]

STL053544
Synonyms: 4- [4- (2- methoxyphenyl)piperazin- 1- yl]- 2- methyl[1]benzofuro[3,2- d]pyrimidine
Smiles: COc1ccccc1N1CCN(CC1)c1nc(C)nc2c1oc1c2cccc1

STL053548
Synonyms: N- [(3Z)- 1,8- dimethyl- 1,2- dihydro- 3H- pyrazolo[3,4- b]quinolin- 3- ylidene]pyridine- 4- carboxamide
Smiles: O=C(c1ccncc1)/N=c/1\[nH]n(c2c1cc1cccc(c1n2)C)C

STL053552
Synonyms: N- {4- [(butylcarbamoyl)sulfamoyl]phenyl}- 2- {[4- (4- ethoxyphenyl)- 5- (thiophen- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)OCC)c1cccs1

STL053560
Synonyms: 7- (2- fluorophenyl)- 4- hydroxy- 1- phenyl- 5,5- bis(trifluoromethyl)- 5,8- dihydropyrimido[4,5- d]pyrimidin- 2(1H)- one
Smiles: Fc1ccccc1C1=NC(c2c(N1)n(c1ccccc1)c(=O)nc2O)(C(F)(F)F)C(F)(F)F

STL053562
Synonyms: 4- ({[4- ammonio- 5- (3- methylphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}methyl)benzoate
Smiles: Cc1cccc(c1)c1nnc(n1[NH3+])SCc1ccc(cc1)C(=O)[O-]

STL053583
Synonyms: 4- {[(E)- (2,6- dichlorophenyl)methylidene]amino}- 5- (5- phenyl- 1H- pyrazol- 3- yl)- 4H- 1,2,4- triazole- 3- thiol
Smiles: Sc1nnc(n1/N=C/c1c(Cl)cccc1Cl)c1n[nH]c(c1)c1ccccc1

STL053598
Synonyms: N- [(2Z)- 3- [(3- methylbutyl)amino]quinoxalin- 2(1H)- ylidene]benzenesulfonamide
Smiles: CC(CCNc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1ccccc1)C

STL053612
Synonyms: 2- (4- chlorophenyl)- 12- phenyl- 12H- chromeno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 3- ium- 9- olate
Smiles: Clc1ccc(cc1)c1[nH+]n2c(n1)c1c(nc2)Oc2c(C1c1ccccc1)ccc(c2)[O-]

STL053614
Synonyms: N- [(2E)- 1,3- benzothiazol- 2(3H)- ylidene]- 4,7,7- trimethyl- 3- oxobicyclo[2.2.1]heptane- 1- carboxamide
Smiles: O=C(C12CCC(C2(C)C)(C(=O)C1)C)/N=c\1/sc2c([nH]1)cccc2

STL053627
Synonyms: 6- hydroxy- 2- (morpholin- 4- yl)- N- phenyl- 4,5- dihydropyrimidine- 4- carboxamide
Smiles: O=C(C1CC(=NC(=N1)N1CCOCC1)O)Nc1ccccc1

STL053633
Synonyms: 2- ({5- [(1S)- 1- amino- 2- phenylethyl]- 1,3,4- oxadiazol- 2- yl}sulfanyl)- N- (2,5- dimethylphenyl)acetamide
Smiles: O=C(Nc1cc(C)ccc1C)CSc1nnc(o1)[C@H](Cc1ccccc1)N

STL053639
Synonyms: (5Z)- 2,6- dihydroxy- 5- [1- (2- phenylhydrazinyl)ethylidene]pyrimidin- 4(5H)- one
Smiles: OC1=NC(=O)/C(=C(\NNc2ccccc2)/C)/C(=N1)O

STL053640
Synonyms: N- [2- (2- {(Z)- [1- (4- fluorobenzyl)- 4,6- dioxo- 2- sulfanyl- 1,6- dihydropyrimidin- 5(4H)- ylidene]methyl}- 1H- indol- 3- yl)ethyl]acetamide
Smiles: CC(=O)NCCc1c(/C=C\2/C(=O)N=C(N(C2=O)Cc2ccc(cc2)F)S)[nH]c2c1cccc2

STL053644
Synonyms: 2- ({[4- ethyl- 5- (2- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}methyl)- 1H- benzimidazole
Smiles: COc1ccccc1c1nnc(n1CC)SCc1nc2c([nH]1)cccc2

STL053652
Synonyms: {[4- (prop- 2- en- 1- yl)- 5- (pyridin- 2- yl)- 4H- 1,2,4- triazol- 2- ium- 3- yl]sulfanyl}acetate
Smiles: C=CCn1c(SCC(=O)[O-])[nH+]nc1c1ccccn1

STL053669
Synonyms: 8- ethoxy- N- (2- methylpropyl)- 5H- pyrimido[5,4- b]indol- 4- amine
Smiles: CCOc1ccc2c(c1)c1ncnc(c1[nH]2)NCC(C)C

STL053674
Synonyms: (2E)- 3- {4- [(2- chlorobenzyl)oxy]phenyl}- 2- [(3- methyl- 1H- 1,2,4- triazol- 4- ium- 5- yl)sulfanyl]prop- 2- enoate
Smiles: [O-]C(=O)/C(=C\c1ccc(cc1)OCc1ccccc1Cl)/Sc1[nH]nc([nH+]1)C

STL053680
Synonyms: 6- (2,5- dimethoxyphenyl)- 3- (5- methyl- 1H- pyrazol- 3- yl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: COc1ccc(c(c1)C1=Nn2c(SC1)nnc2c1n[nH]c(c1)C)OC

STL053695
Synonyms: methylN- [(4- phenylbutan- 2- yl)carbamoyl]- D- valinate
Smiles: COC(=O)[C@@H](C(C)C)NC(=O)NC(CCc1ccccc1)C

STL053696
Synonyms: (2Z)- 3- (2- methoxynaphthalen- 1- yl)- 2- [(3- methyl- 1H- 1,2,4- triazol- 4- ium- 5- yl)sulfanyl]prop- 2- enoate
Smiles: COc1ccc2c(c1/C=C(/C(=O)[O-])\Sc1[nH]nc([nH+]1)C)cccc2

STL053701
Synonyms: (5E)- 1- (butan- 2- yl)- 5- {[(furan- 2- ylmethyl)amino]methylidene}- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: CCC(N1C(=NC(=O)/C(=C\NCc2ccco2)/C1=O)S)C

STL053703
Synonyms: N- (3- methoxypropyl)- 2- methyl[1]benzofuro[3,2- d]pyrimidin- 4- amine
Smiles: COCCCNc1nc(C)nc2c1oc1c2cccc1

STL053706
Synonyms: (5E)- 3- (furan- 2- ylmethyl)- 5- {[(furan- 2- ylmethyl)amino]methylidene}- 6- hydroxypyrimidine- 2,4(3H,5H)- dione
Smiles: OC1=NC(=O)N(C(=O)/C/1=C/NCc1ccco1)Cc1ccco1

STL053708
Synonyms: 3- (3- butoxypropyl)- 8- ethoxy- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: CCCCOCCCn1cnc2c(c1=O)[nH]c1c2cc(cc1)OCC

STL053714
Synonyms: 4- {(3E)- 2- (4- chlorophenyl)- 3- [(4- chlorophenyl)(hydroxy)methylidene]- 4,5- dioxopyrrolidin- 1- yl}benzoicacid
Smiles: Clc1ccc(cc1)C1/C(=C(/c2ccc(cc2)Cl)\O)/C(=O)C(=O)N1c1ccc(cc1)C(=O)O

STL053715
Synonyms: 2- hydroxy- 8- (4- methoxyphenyl)- 1- methyl- 9- propyl- 1,9- dihydro- 6H- purin- 6- one
Smiles: CCCn1c(nc2c1nc(O)n(c2=O)C)c1ccc(cc1)OC

STL053718
Synonyms: 3- {[(2,4- dimethylphenyl)amino]methyl}- 8- methylquinolin- 2(1H)- one
Smiles: Cc1ccc(c(c1)C)NCc1cc2cccc(c2[nH]c1=O)C

STL053721
Synonyms: 4- {[4- (4- fluorophenyl)piperazin- 4- ium- 1- yl]carbonothioyl}phenolate
Smiles: [O-]c1ccc(cc1)C(=S)N1CC[NH+](CC1)c1ccc(cc1)F

STL053733
Synonyms: 4- {[(1E,2E)- 3- (2- methoxyphenyl)prop- 2- en- 1- ylidene]amino}- 5- (5- methyl- 1H- pyrazol- 3- yl)- 4H- 1,2,4- triazole- 3- thiol
Smiles: COc1ccccc1/C=C/C=N/n1c(S)nnc1c1n[nH]c(c1)C

STL053736
Synonyms: 4- [4- (3- chlorophenyl)piperazin- 1- yl]- N- [(2Z)- 5- ethyl- 1,3,4- thiadiazol- 2(3H)- ylidene]- 4- oxobutanamide
Smiles: CCc1n[nH]/c(=N/C(=O)CCC(=O)N2CCN(CC2)c2cccc(c2)Cl)/s1

STL053738
Synonyms: N,N- dibutyltetrahydrothiophen- 3- aminium1,1- dioxide
Smiles: CCCC[NH+](C1CCS(=O)(=O)C1)CCCC

STL053740
Synonyms: 4a- methyl- 8- nitro- 2',6'- dioxo- 1',2,3,4,4a,6'- hexahydro- 1H,2'H,6H- spiro[pyrido[1,2- a]quinolinium- 5,5'- pyrimidin]- 4'- olate
Smiles: O=C1NC(=O)C2(C(=N1)[O-])Cc1cc(ccc1[NH+]1C2(C)CCCC1)[N+](=O)[O-]

STL053754
Synonyms: 3- amino- 2- [(3,5- dimethylphenyl)carbamoyl]- 6- hydroxythieno[2,3- b]pyridine- 5- carboxylicacid
Smiles: Cc1cc(cc(c1)C)NC(=O)c1sc2c(c1N)cc(c(n2)O)C(=O)O

STL053755
Synonyms: 3- (4- bromophenyl)- 5- (thiophen- 2- yl)- 4,5- dihydro- 1,2- oxazole
Smiles: Brc1ccc(cc1)C1=NOC(C1)c1cccs1

STL053767
Synonyms: 3- (5,5- dimethyl- 2- oxotetrahydrofuran- 3- yl)- 2- methyl- N- [(2Z)- 1,3,4- thiadiazol- 2(3H)- ylidene]propanamide
Smiles: CC(C(=O)/N=c/1\scn[nH]1)CC1CC(OC1=O)(C)C

STL053769
Synonyms: methylN- [(5- hydroxypentyl)carbamoyl]- L- phenylalaninate
Smiles: OCCCCCNC(=O)N[C@H](C(=O)OC)Cc1ccccc1

STL053772
Synonyms: 3- (2- bromophenoxy)- 2- methyl- 8- (morpholin- 4- ium- 4- ylmethyl)- 4- oxo- 4H- chromen- 7- olate
Smiles: [O-]c1ccc2c(c1C[NH+]1CCOCC1)oc(c(c2=O)Oc1ccccc1Br)C

STL053776
Synonyms: methyl5- bromo- 3- [({1- [(1,3- dioxo- 1,3- dihydro- 2H- isoindol- 2- yl)methyl]- 3,4- dihydroisoquinolin- 2(1H)- yl}acetyl)amino]- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN1CCc3c(C1CN1C(=O)c4c(C1=O)cccc4)cccc3)cc(cc2)Br

STL053780
Synonyms: {4- [(E)- (2,6- dihydroxy- 4- oxopyrimidin- 5(4H)- ylidene)methyl]phenoxy}aceticacid
Smiles: OC(=O)COc1ccc(cc1)/C=C/1\C(=NC(=NC1=O)O)O

STL053790
Synonyms:
Smiles: CCC([C@@H](C(=O)O)NC(=O)NCc1ccc(cc1)Cl)C

STL053801
Synonyms: 2- (1,3- dimethyl- 2,4- dioxo- 7- phenyl- 1,2,3,4- tetrahydro- 8H- imidazo[2,1- f]purin- 9- ium- 8- yl)phenolate
Smiles: [O-]c1ccccc1n1c(cn2c1[nH+]c1c2c(=O)n(c(=O)n1C)C)c1ccccc1

STL053809
Synonyms: (5Z)- 5- {1- [(2- fluorophenyl)amino]ethylidene}- 2,6- dihydroxypyrimidin- 4(5H)- one
Smiles: OC1=NC(=O)/C(=C(\Nc2ccccc2F)/C)/C(=N1)O

STL053820
Synonyms: {[5,7- dihydroxy- 2- (methylamino)[1,3]thiazolo[4,5- b]pyridin- 6- yl](2- fluorophenyl)methyl}propanedinitrile
Smiles: CNc1sc2c(n1)nc(c(c2O)C(c1ccccc1F)C(C#N)C#N)O

STL053824
Synonyms: 3- {(3E)- 2- (2,4- dimethoxyphenyl)- 3- [hydroxy(phenyl)methylidene]- 4,5- dioxopyrrolidin- 1- yl}benzoicacid
Smiles: COc1ccc(c(c1)OC)C1/C(=C(/c2ccccc2)\O)/C(=O)C(=O)N1c1cccc(c1)C(=O)O

STL053826
Synonyms: (4E)- 4- [(2,8- dimethylimidazo[1,2- a]pyridin- 3- yl)(hydroxy)methylidene]- 1- [3- (morpholin- 4- yl)propyl]- 5- phenylpyrrolidine- 2,3- dione
Smiles: O=C1C(=O)/C(=C(\c2c(C)nc3n2cccc3C)/O)/C(N1CCCN1CCOCC1)c1ccccc1

STL053829
Synonyms: (E)- {1- [3- (morpholin- 4- ium- 4- yl)propyl]- 2- (3- nitrophenyl)- 4,5- dioxopyrrolidin- 3- ylidene}[4- (propan- 2- yloxy)phenyl]methanolate
Smiles: CC(Oc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)[N+](=O)[O-])CCC[NH+]1CCOCC1)/[O-])C

STL053839
Synonyms: 2- [7- (4- chlorophenyl)- 5- oxo- 3,5,6,7- tetrahydro[1,2,4]triazolo[1,5- a]pyrimidin- 2- yl]hexahydro- 1H- isoindole- 1,3(2H)- dione
Smiles: O=C1CC(c2ccc(cc2)Cl)n2c(=N1)[nH]c(n2)N1C(=O)C2C(C1=O)CCCC2

STL053847
Synonyms: 9- (furan- 2- ylmethyl)- 4- hydroxy- 1- methyl- 6,7,8,9- tetrahydropyrimido[2,1- f]purin- 2(1H)- one
Smiles: Oc1nc(=O)n(c2c1n1CCCN(c1n2)Cc1ccco1)C

STL053854
Synonyms: 3- [5- (3- methoxyphenyl)- 1,2,4- oxadiazol- 3- yl]- 6- methylquinolin- 2(1H)- one
Smiles: COc1cccc(c1)c1onc(n1)c1cc2cc(C)ccc2[nH]c1=O

STL053868
Synonyms: (5Z)- 5- [1- (azepan- 1- ylamino)ethylidene]- 2,6- dihydroxypyrimidin- 4(5H)- one
Smiles: OC1=NC(=O)/C(=C(\NN2CCCCCC2)/C)/C(=N1)O

STL053872
Synonyms: 6- hydroxy- 3- methyl- 8- (morpholin- 4- yl)- 7- [3- (pyrimidin- 2- ylsulfanyl)propyl]- 3,7- dihydro- 2H- purin- 2- one
Smiles: Oc1nc(=O)n(c2c1n(CCCSc1ncccn1)c(n2)N1CCOCC1)C

STL053875
Synonyms: N- (4- methoxyphenyl)- N- [(2- oxo- 1,2- dihydroquinolin- 4- yl)methyl]butanamide
Smiles: CCCC(=O)N(c1ccc(cc1)OC)Cc1cc(=O)[nH]c2c1cccc2

STL053878
Synonyms: (5Z)- 1- (3,5- dimethylphenyl)- 5- {[5- (4- methylpiperazin- 4- ium- 1- yl)furan- 2- yl]methylidene}- 4,6- dioxo- 1,4,5,6- tetrahydropyrimidine- 2- thiolate
Smiles: Cc1cc(C)cc(c1)N1C(=NC(=O)/C(=C/c2ccc(o2)N2CC[NH+](CC2)C)/C1=O)[S-]

STL053881
Synonyms: 2- methyl- N- [(2Z)- 5- [2- (morpholin- 4- yl)ethyl]- 1,3,4- thiadiazol- 2(3H)- ylidene]propanamide
Smiles: CC(C(=O)/N=c\1/[nH]nc(s1)CCN1CCOCC1)C

STL053894
Synonyms: (2Z)- 2- [(3- methyl- 1H- 1,2,4- triazol- 4- ium- 5- yl)sulfanyl]- 3- phenylprop- 2- enoate
Smiles: [O-]C(=O)/C(=C/c1ccccc1)/Sc1[nH]nc([nH+]1)C

STL053898
Synonyms: 1- [2- (4- fluorophenyl)- 2- oxoethyl]- 3- (4- methoxyphenyl)- 1,5,6,7- tetrahydropyrrolo[1,2- a]imidazol- 4- ium
Smiles: COc1ccc(cc1)c1cn(c2[n+]1CCC2)CC(=O)c1ccc(cc1)F

STL053899
Synonyms: N- {[3- (2- oxopyrrolidin- 1- yl)propyl]carbamoyl}- L- phenylalanine
Smiles: O=C(N[C@H](C(=O)O)Cc1ccccc1)NCCCN1CCCC1=O

STL053903
Synonyms: 4- [4- (2,3- dimethylphenyl)piperazin- 1- yl]- N- [(2Z)- 5- (2- methylpropyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]- 4- oxobutanamide
Smiles: CC(Cc1n[nH]/c(=N/C(=O)CCC(=O)N2CCN(CC2)c2cccc(c2C)C)/s1)C

STL053909
Synonyms:
Smiles: Cc1ccc(c(c1)Nc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1cccc2c1nsn2)C

STL053910
Synonyms: 4- [11- (4- tert- butylphenyl)- 1- hydroxy- 3,3- dimethyl- 2,3,4,11- tetrahydro- 10H- dibenzo[b,e][1,4]diazepin- 10- yl]- 4- oxobutanoicacid
Smiles: OC(=O)CCC(=O)N1C(c2ccc(cc2)C(C)(C)C)C2=C(O)CC(CC2=Nc2c1cccc2)(C)C

STL053912
Synonyms: N- (1,1- dioxidotetrahydrothiophen- 3- yl)- 1- ({1- [(4- methylphenyl)sulfonyl]piperidin- 4- yl}carbonyl)- L- prolinamide
Smiles: O=C([C@@H]1CCCN1C(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)C)NC1CCS(=O)(=O)C1

STL053935
Synonyms: 5- amino- 1- (hexan- 2- yl)- 1,2- dihydro- 3H- pyrazol- 3- one
Smiles: CC(n1c(N)cc(=O)[nH]1)CCCC

STL053937
Synonyms: 2- [4- (2- chloro- 5- methylphenoxy)quinazolin- 1- ium- 2- yl]phenolate
Smiles: Cc1ccc(c(c1)Oc1nc([nH+]c2c1cccc2)c1ccccc1[O-])Cl

STL053942
Synonyms: N- [4- (3,5- dihydroxy- 7,7- dimethyl- 2- phenyl- 4,6,7,8- tetrahydro- 2H- pyrazolo[3,4- b]quinolin- 4- yl)phenyl]acetamide
Smiles: CC(=O)Nc1ccc(cc1)C1C2=C(O)CC(CC2=Nc2c1c(O)n(n2)c1ccccc1)(C)C

STL053948
Synonyms: 8- bromo- N- phenyl[1]benzofuro[3,2- d]pyrimidin- 4- amine
Smiles: Brc1ccc2c(c1)c1ncnc(c1o2)Nc1ccccc1

STL053950
Synonyms: 4- ({(E)- [4- (methylsulfanyl)phenyl]methylidene}amino)- 5- (5- phenyl- 1H- pyrazol- 3- yl)- 4H- 1,2,4- triazole- 3- thiol
Smiles: CSc1ccc(cc1)/C=N/n1c(S)nnc1c1n[nH]c(c1)c1ccccc1

STL053951
Synonyms: N- [(2E)- 5- [(E)- 2- (4- methoxyphenyl)ethenyl]- 1,3,4- thiadiazol- 2(3H)- ylidene]- 2,2- dimethylpropanamide
Smiles: COc1ccc(cc1)/C=C/c1n[nH]/c(=N\C(=O)C(C)(C)C)/s1

STL053956
Synonyms: (2E)- 3- {3- [(2- chlorobenzyl)oxy]phenyl}- 2- [(3- methyl- 1H- 1,2,4- triazol- 4- ium- 5- yl)sulfanyl]prop- 2- enoate
Smiles: [O-]C(=O)/C(=C\c1cccc(c1)OCc1ccccc1Cl)/Sc1[nH]nc([nH+]1)C

STL053962
Synonyms: N- [(3Z)- 6- methoxy- 1- propyl- 1,2- dihydro- 3H- pyrazolo[3,4- b]quinolin- 3- ylidene]- 2- phenoxyacetamide
Smiles: CCCn1[nH]/c(=N\C(=O)COc2ccccc2)/c2c1nc1ccc(cc1c2)OC

STL053971
Synonyms: 2- (2- amino- 5- phenylpyrimidin- 4- yl)- 5- [(2- fluorobenzyl)oxy]phenol
Smiles: Nc1ncc(c(n1)c1ccc(cc1O)OCc1ccccc1F)c1ccccc1

STL053975
Synonyms: methylN- [benzyl(methyl)carbamoyl]- D- phenylalaninate
Smiles: COC(=O)[C@H](NC(=O)N(Cc1ccccc1)C)Cc1ccccc1

STL053977
Synonyms: N- [(2E)- 5- (2,4- dichlorophenyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]furan- 2- carboxamide
Smiles: Clc1ccc(c(c1)Cl)c1n[nH]/c(=N\C(=O)c2ccco2)/s1

STL053979
Synonyms: (1S)- 3- methyl- 1- {5- [(4- methylbenzyl)sulfanyl]- 1,3,4- oxadiazol- 2- yl}butan- 1- amine
Smiles: CC(C[C@@H](c1nnc(o1)SCc1ccc(cc1)C)N)C

STL053983
Synonyms: 2- methoxy- N- [7- (4- methoxyphenyl)- 5- phenyl- 4,5,6,7- tetrahydro[1,2,4]triazolo[1,5- a]pyrimidin- 2- yl]acetamide
Smiles: COCC(=O)Nc1nc2n(n1)C(CC(N2)c1ccccc1)c1ccc(cc1)OC

STL053988
Synonyms:
Smiles: CCC([C@@H](c1nnc(o1)SCC(=O)Nc1c(C)cccc1C)N)C

STL053989
Synonyms: 4- chloro- N- [(2Z)- 3- [(5- chloro- 2- methylphenyl)amino]quinoxalin- 2(1H)- ylidene]benzenesulfonamide
Smiles: Clc1ccc(cc1)S(=O)(=O)/N=c/1\[nH]c2ccccc2nc1Nc1cc(Cl)ccc1C

STL053991
Synonyms: 4- {[(1E,2E)- 3- phenylprop- 2- en- 1- ylidene]amino}- 5- (5- phenyl- 1H- pyrazol- 3- yl)- 4H- 1,2,4- triazole- 3- thiol
Smiles: Sc1nnc(n1/N=C/C=C/c1ccccc1)c1n[nH]c(c1)c1ccccc1

STL053995
Synonyms: 4- {4- [2- (4- methylphenoxy)ethyl]piperazin- 1- yl}- N- [(2Z)- 5- (2- methylpropyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]- 4- oxobutanamide
Smiles: CC(Cc1n[nH]/c(=N/C(=O)CCC(=O)N2CCN(CC2)CCOc2ccc(cc2)C)/s1)C

STL053996
Synonyms: N- [4- amino- 6- (3,5- dimethylpiperidin- 1- yl)- 5- nitropyrimidin- 2- yl]glycine
Smiles: CC1CC(C)CN(C1)c1nc(NCC(=O)O)nc(c1[N+](=O)[O-])N

STL053998
Synonyms: N- (3,4- dimethylphenyl)- N'- [(2Z)- 5- (2- methylpropyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]butanediamide
Smiles: CC(Cc1n[nH]/c(=N/C(=O)CCC(=O)Nc2ccc(c(c2)C)C)/s1)C

STL054009
Synonyms: (2Z)- 3- (4- methoxy- 2- methylphenyl)- 2- [(3- methyl- 1H- 1,2,4- triazol- 4- ium- 5- yl)sulfanyl]prop- 2- enoate
Smiles: COc1ccc(c(c1)C)/C=C(/C(=O)[O-])\Sc1[nH]nc([nH+]1)C

STL054025
Synonyms: [(6- chloro- 2- hydroxy- 4- phenylquinolin- 3- yl)sulfanyl]aceticacid
Smiles: OC(=O)CSc1c(O)nc2c(c1c1ccccc1)cc(cc2)Cl

STL054035
Synonyms: (5E)- 3- (furan- 2- ylmethyl)- 6- hydroxy- 5- {[(thiophen- 2- ylmethyl)amino]methylidene}pyrimidine- 2,4(3H,5H)- dione
Smiles: OC1=NC(=O)N(C(=O)/C/1=C/NCc1cccs1)Cc1ccco1

STL054041
Synonyms: 6- fluoro- 1- methyl- 7- {4- [(5- methyl- 2- oxo- 1,3- dioxol- 4- yl)methyl]piperazin- 4- ium- 1- yl}- 4- oxo- 4H- [1,3]thiazeto[3,2- a]quinoline- 3- carboxylate
Smiles: O=c1oc(c(o1)C[NH+]1CCN(CC1)c1cc2c(cc1F)c(=O)c(c1n2C(C)S1)C(=O)[O-])C

STL054049
Synonyms: 2- ({5- [(1S)- 1- amino- 3- methylbutyl]- 1,3,4- oxadiazol- 2- yl}sulfanyl)- N- (2,6- dimethylphenyl)acetamide
Smiles: N[C@H](c1nnc(o1)SCC(=O)Nc1c(C)cccc1C)CC(C)C

STL054051
Synonyms:
Smiles: CCC([C@@H](C(=O)O)NC(=O)NCc1ccccc1)C

STL054056
Synonyms: (2Z)- 2- [(3- chlorophenyl)imino]- 6- (3- methylpiperidin- 1- yl)- 5- nitro- 1,2- dihydropyrimidin- 4- amine
Smiles: CC1CCCN(C1)c1[nH]/c(=N/c2cccc(c2)Cl)/nc(c1[N+](=O)[O-])N

STL054061
Synonyms: N- (1,3- benzodioxol- 5- yl)- 2- (3- hydroxy- 2H- 1,4- benzothiazin- 2- yl)acetamide
Smiles: O=C(CC1Sc2ccccc2N=C1O)Nc1ccc2c(c1)OCO2

STL054079
Synonyms: N- [(2Z)- 5- (1H- indol- 3- ylmethyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]- 2- methylpropanamide
Smiles: O=C(C(C)C)/N=c\1/[nH]nc(s1)Cc1c[nH]c2c1cccc2

STL054082
Synonyms: N- [(2,2- diphenylethyl)carbamoyl]- L- methionine
Smiles: CSCC[C@@H](C(=O)O)NC(=O)NCC(c1ccccc1)c1ccccc1

STL054086
Synonyms: 8- methyl- 3- [(propan- 2- ylamino)methyl]quinolin- 2(1H)- one
Smiles: CC(NCc1cc2cccc(c2[nH]c1=O)C)C

STL054087
Synonyms: N- [(2E)- 6- (morpholin- 4- ylsulfonyl)- 1,3- benzothiazol- 2(3H)- ylidene]pyridine- 2- carboxamide
Smiles: O=C(c1ccccn1)/N=c\1/sc2c([nH]1)ccc(c2)S(=O)(=O)N1CCOCC1

STL054090
Synonyms:
Smiles: COc1cc(OC)c(cc1Nc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1cccc2c1nsn2)Cl

STL054091
Synonyms: 5- (3- chlorophenyl)- 4- {[(E)- (3,4- dihydroxyphenyl)methylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Clc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1ccc(c(c1)O)O

STL054096
Synonyms: 4- tert- butyl- N- ethyl- N- [(7- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]benzamide
Smiles: CCN(C(=O)c1ccc(cc1)C(C)(C)C)Cc1cc2ccc(cc2[nH]c1=O)C

STL054107
Synonyms: (1S)- 1- {5- [(4- fluorobenzyl)sulfanyl]- 1,3,4- oxadiazol- 2- yl}- 2- phenylethanamine
Smiles: Fc1ccc(cc1)CSc1nnc(o1)[C@H](Cc1ccccc1)N

STL054108
Synonyms: (2Z)- 2- [(2,4- dimethylphenyl)imino]- 7- methyl- 2,6,7,8- tetrahydroquinazolin- 5(1H)- one
Smiles: CC1CC(=O)c2c(C1)[nH]/c(=N/c1ccc(cc1C)C)/nc2

STL054111
Synonyms: N- (3- nitrophenyl)- 5- oxo- 2- phenyltetrahydrofuran- 3- carboxamide
Smiles: O=C1CC(C(O1)c1ccccc1)C(=O)Nc1cccc(c1)[N+](=O)[O-]

STL054117
Synonyms: 4- chloro- 2- [1- (4H- 1,2,4- triazol- 1- ium- 4- ylamino)ethyl]phenolate
Smiles: Clc1ccc(c(c1)C(Nn1c[nH+]nc1)C)[O-]

STL054124
Synonyms: (8E)- 8- [(2E)- benzylidenehydrazinylidene]- 1,3- dimethyl- 7- (naphthalen- 1- ylmethyl)- 3,7,8,9- tetrahydro- 1H- purine- 2,6- dione
Smiles: O=c1n(C)c2[nH]/c(=N\N=C\c3ccccc3)/n(c2c(=O)n1C)Cc1cccc2c1cccc2

STL054125
Synonyms: 2- {[(Z)- {1- [2- (cyclohex- 1- en- 1- yl)ethyl]- 4- hydroxy- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene}methyl]amino}benzoicacid
Smiles: O=C1N=C(O)/C(=C/Nc2ccccc2C(=O)O)/C(=O)N1CCC1=CCCCC1

STL054126
Synonyms: 3- (5- propyl- 1,2,4- oxadiazol- 3- yl)quinolin- 2(1H)- one
Smiles: CCCc1onc(n1)c1cc2ccccc2[nH]c1=O

STL054137
Synonyms: methyl3- {[(2,4- dimethoxyphenyl)sulfonyl]amino}- 1H- indole- 2- carboxylate
Smiles: COc1ccc(c(c1)OC)S(=O)(=O)Nc1c([nH]c2c1cccc2)C(=O)OC

STL054145
Synonyms: (5Z)- 5- [2- (7- ethyl- 6- hydroxy- 3- methyl- 2- oxo- 3,7- dihydro- 2H- purin- 8- yl)hydrazinylidene]- 6- hydroxypyrimidine- 2,4(3H,5H)- dione
Smiles: CCn1c(N/N=C/2\C(=O)NC(=O)N=C2O)nc2c1c(O)nc(=O)n2C

STL054155
Synonyms: 1,3- dimethyl- 2,6- dioxo- 5- {(1E)- N- [4- (pyridinium- 4- ylmethyl)phenyl]propanimidoyl}- 1,2,3,6- tetrahydropyrimidin- 4- olate
Smiles: CC/C(=N\c1ccc(cc1)Cc1cc[nH+]cc1)/c1c([O-])n(C)c(=O)n(c1=O)C

STL054164
Synonyms: (6- fluoro- 2- methylquinolin- 4- yl)(piperidin- 1- yl)methanone
Smiles: O=C(c1cc(C)nc2c1cc(F)cc2)N1CCCCC1

STL054170
Synonyms: 5- amino- 1- (heptan- 2- yl)- 1,2- dihydro- 3H- pyrazol- 3- one
Smiles: CC(n1c(N)cc(=O)[nH]1)CCCCC

STL054171
Synonyms: 4- [4- (2- fluorophenyl)piperazin- 1- yl]- 4- oxo- N- [(2Z)- 5- (trifluoromethyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]butanamide
Smiles: O=C(/N=c\1/[nH]nc(s1)C(F)(F)F)CCC(=O)N1CCN(CC1)c1ccccc1F

STL054185
Synonyms: N- (4- bromophenyl)- N'- [(2Z)- 5- cyclohexyl- 1,3,4- thiadiazol- 2(3H)- ylidene]butanediamide
Smiles: O=C(Nc1ccc(cc1)Br)CCC(=O)/N=c\1/[nH]nc(s1)C1CCCCC1

STL054188
Synonyms: N- [(2Z)- 5- cyclohexyl- 1,3,4- thiadiazol- 2(3H)- ylidene]- 4- [4- (5- fluoro- 2- methoxybenzyl)piperazin- 1- yl]- 4- oxobutanamide
Smiles: COc1ccc(cc1CN1CCN(CC1)C(=O)CCC(=O)/N=c\1/[nH]nc(s1)C1CCCCC1)F

STL054191
Synonyms: 7- benzyl- 8- [(2Z)- 2- (4- hydroxy- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene)hydrazinyl]- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: O=C1NC(=O)/C(=N\Nc2nc3c(n2Cc2ccccc2)c(=O)n(c(=O)n3C)C)/C(=N1)O

STL054198
Synonyms: (2E)- 3- [4- (methylsulfanyl)phenyl]- 2- [(3- methyl- 1H- 1,2,4- triazol- 4- ium- 5- yl)sulfanyl]prop- 2- enoate
Smiles: CSc1ccc(cc1)/C=C(\C(=O)[O-])/Sc1[nH]nc([nH+]1)C

STL054214
Synonyms: 4- ({[4- ammonio- 5- (pyridin- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}methyl)benzoate
Smiles: [O-]C(=O)c1ccc(cc1)CSc1nnc(n1[NH3+])c1ccccn1

STL054215
Synonyms: 3- hydroxy- N- (2- nitrophenyl)- 1,2- dihydropyrido[1,2- a]benzimidazole- 4- carboxamide
Smiles: [O-][N+](=O)c1ccccc1NC(=O)C1=C(O)CCn2c1nc1c2cccc1

STL054219
Synonyms: 4- {4- [(5- chloro- 2- methoxyphenyl)sulfonyl]piperazin- 1- yl}- 4- oxo- N- [(2Z)- 5- propyl- 1,3,4- thiadiazol- 2(3H)- ylidene]butanamide
Smiles: CCCc1n[nH]/c(=N/C(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)c2cc(Cl)ccc2OC)/s1

STL054221
Synonyms: (2R)- 2- amino- N'- [(E)- 2H- chromen- 3- ylmethylidene]- 3- phenylpropanehydrazide(non- preferredname)
Smiles: O=C([C@@H](Cc1ccccc1)N)N/N=C/C1=Cc2c(OC1)cccc2

STL054233
Synonyms: 3,4,5- triethoxy- N- [(2Z)- 5- methyl- 1,3,4- thiadiazol- 2(3H)- ylidene]benzamide
Smiles: CCOc1cc(cc(c1OCC)OCC)C(=O)/N=c\1/[nH]nc(s1)C

STL054246
Synonyms: (2E)- 3- [5- (4- carboxyphenyl)furan- 2- yl]- 2- [(3- methyl- 1H- 1,2,4- triazol- 4- ium- 5- yl)sulfanyl]prop- 2- enoate
Smiles: [O-]C(=O)/C(=C\c1ccc(o1)c1ccc(cc1)C(=O)O)/Sc1[nH]nc([nH+]1)C

STL054248
Synonyms: 5- (4- ethoxybenzyl)- 3- (2- fluorophenyl)- 6- hydroxy- 5- [2- (pyridin- 4- yl)ethyl]pyrimidine- 2,4(3H,5H)- dione
Smiles: CCOc1ccc(cc1)CC1(CCc2ccncc2)C(=NC(=O)N(C1=O)c1ccccc1F)O

STL054266
Synonyms: (5Z)- 2- hydroxy- 6- oxo- 5- (1- {[3- (piperidinium- 1- yl)propyl]amino}ethylidene)- 5,6- dihydropyrimidin- 4- olate
Smiles: OC1=NC(=O)/C(=C(\NCCC[NH+]2CCCCC2)/C)/C(=N1)[O-]

STL054268
Synonyms: methylN- [(2,2- diphenylethyl)carbamoyl]- D- methioninate
Smiles: CSCC[C@H](C(=O)OC)NC(=O)NCC(c1ccccc1)c1ccccc1

STL054283
Synonyms: (5E)- 2,6- dihydroxy- 5- (1- {[3- (trifluoromethyl)phenyl]amino}propylidene)pyrimidin- 4(5H)- one
Smiles: CC/C(=C\1/C(=NC(=NC1=O)O)O)/Nc1cccc(c1)C(F)(F)F

STL054295
Synonyms: methylN- [(4- sulfamoylphenyl)carbamoyl]- L- methioninate
Smiles: COC(=O)[C@@H](NC(=O)Nc1ccc(cc1)S(=O)(=O)N)CCSC

STL054299
Synonyms: 3- [(4,5- dihydro- 1H- imidazol- 3- ium- 2- ylmethyl)(4- methylphenyl)amino]phenolate
Smiles: Cc1ccc(cc1)N(c1cccc(c1)[O-])CC1=[NH+]CCN1

STL054310
Synonyms: 3- (3,4- dichlorophenyl)- 1- [2- (4- methylphenyl)- 2- oxoethyl]- 1,5,6,7- tetrahydropyrrolo[1,2- a]imidazol- 4- ium
Smiles: Cc1ccc(cc1)C(=O)Cn1cc([n+]2c1CCC2)c1ccc(c(c1)Cl)Cl

STL054312
Synonyms: 3- ethoxy- N- [(2E)- 5- (2- methoxyphenyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]benzamide
Smiles: CCOc1cccc(c1)C(=O)/N=c/1\[nH]nc(s1)c1ccccc1OC

STL054316
Synonyms: 6- amino- N'- [(E)- quinolin- 6- ylmethylidene]hexanehydrazide
Smiles: NCCCCCC(=O)N/N=C/c1ccc2c(c1)cccn2

STL054320
Synonyms: N- [(3- methylbutyl)carbamoyl]- L- phenylalanine
Smiles: CC(CCNC(=O)N[C@H](C(=O)O)Cc1ccccc1)C

STL054321
Synonyms: (4E)- 5- (4- chlorophenyl)- 1- [2- (2- hydroxyethoxy)ethyl]- 4- [hydroxy(4- nitrophenyl)methylidene]pyrrolidine- 2,3- dione
Smiles: OCCOCCN1C(c2ccc(cc2)Cl)/C(=C(/c2ccc(cc2)[N+](=O)[O-])\O)/C(=O)C1=O

STL054323
Synonyms: 4- {[(E)- (2,5- dimethoxyphenyl)methylidene]amino}- 5- (5- phenyl- 1H- pyrazol- 3- yl)- 4H- 1,2,4- triazole- 3- thiol
Smiles: COc1ccc(c(c1)/C=N/n1c(S)nnc1c1n[nH]c(c1)c1ccccc1)OC

STL054329
Synonyms: 4- {[(E)- (1- cycloheptyl- 4- hydroxy- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene)methyl]amino}benzoicacid
Smiles: O=C1N=C(O)/C(=C\Nc2ccc(cc2)C(=O)O)/C(=O)N1C1CCCCCC1

STL054331
Synonyms: ethyl(3- {(E)- [1- (4- fluorophenyl)- 4- hydroxy- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene]methyl}- 1H- indol- 1- yl)acetate
Smiles: CCOC(=O)Cn1cc(c2c1cccc2)/C=C/1\C(=NC(=O)N(C1=O)c1ccc(cc1)F)O

STL054343
Synonyms: 4- {[(E)- (2,3- dimethoxyphenyl)methylidene]amino}- 5- (5- phenyl- 1H- pyrazol- 3- yl)- 4H- 1,2,4- triazole- 3- thiol
Smiles: COc1c(cccc1OC)/C=N/n1c(S)nnc1c1n[nH]c(c1)c1ccccc1

STL054345
Synonyms: 3- chloro- 4- methyl- N- [(7E)- 5- methyl[1,2,4]triazolo[1,5- a]pyrimidin- 7(4H)- ylidene]aniline
Smiles: Cc1c/c(=N\c2ccc(c(c2)Cl)C)/n2c([nH]1)ncn2

STL054349
Synonyms: 4- cyano- 3- methyl- 2- propylpyrido[1,2- a][3,1]benzimidazol- 5- ium- 1- olate
Smiles: CCCc1c(C)c(C#N)c2n(c1[O-])c1ccccc1[nH+]2

STL054357
Synonyms: (5E)- 1- cyclohexyl- 5- [(cyclopentylamino)methylidene]- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: SC1=NC(=O)/C(=C\NC2CCCC2)/C(=O)N1C1CCCCC1

STL054367
Synonyms: 2- methylpropyl[(2,4- dimethoxyphenyl)(hydroxy)methyl][4- (dimethylamino)phenyl]phosphinate
Smiles: COc1ccc(c(c1)OC)C(P(=O)(c1ccc(cc1)N(C)C)OCC(C)C)O

STL054371
Synonyms: (2E)- 3- [5- (4- bromophenyl)furan- 2- yl]- 2- [(3- methyl- 1H- 1,2,4- triazol- 4- ium- 5- yl)sulfanyl]prop- 2- enoate
Smiles: Brc1ccc(cc1)c1ccc(o1)/C=C(\C(=O)[O-])/Sc1[nH]nc([nH+]1)C

STL054377
Synonyms: 3- chloro- N- [(2E)- 5- (3- methoxyphenyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]benzamide
Smiles: COc1cccc(c1)c1n[nH]/c(=N\C(=O)c2cccc(c2)Cl)/s1

STL054382
Synonyms: 4- (4- benzylpiperazin- 1- yl)- 4- oxo- N- [(2Z)- 5- (propan- 2- yl)- 1,3,4- thiadiazol- 2(3H)- ylidene]butanamide
Smiles: CC(c1n[nH]/c(=N/C(=O)CCC(=O)N2CCN(CC2)Cc2ccccc2)/s1)C

STL054383
Synonyms: N- {(2S)- 1- [(3- methoxyphenyl)amino]- 3- methyl- 1- oxobutan- 2- yl}- 1- [(4- methylphenyl)sulfonyl]piperidine- 4- carboxamide
Smiles: COc1cccc(c1)NC(=O)[C@H](C(C)C)NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)C

STL054385
Synonyms: 6'- amino- 1- ethyl- 3'- {[(4- methylphenyl)sulfanyl]methyl}- 2- oxo- 1,2- dihydro- 2'H- spiro[indole- 3,4'- pyrano[2,3- c]pyrazole]- 5'- carbonitrile
Smiles: CCN1c2ccccc2C2(C1=O)C(=C(N)Oc1c2c(CSc2ccc(cc2)C)[nH]n1)C#N

STL054386
Synonyms: methyl[(2E)- 5- (2- methoxyphenyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]carbamate
Smiles: COC(=O)/N=c/1\[nH]nc(s1)c1ccccc1OC

STL054393
Synonyms: 2- methyl- 6- {[(4Z)- 4- [(3- methylphenyl)imino]- 6- (propan- 2- ylamino)- 4,5- dihydro- 1,3,5- triazin- 2- yl]oxy}pyridazin- 3(2H)- one
Smiles: CC(Nc1nc(Oc2ccc(=O)n(n2)C)n/c(=N\c2cccc(c2)C)/[nH]1)C

STL054396
Synonyms: (4E)- 4- [(4- chlorophenyl)(hydroxy)methylidene]- 5- (2- fluorophenyl)pyrrolidine- 2,3- dione
Smiles: Clc1ccc(cc1)/C(=C/1\C(=O)C(=O)NC1c1ccccc1F)/O

STL054432
Synonyms: (6- methoxy- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl4- fluorobenzoate
Smiles: COc1ccc2c(c1)cc(c(=O)[nH]2)COC(=O)c1ccc(cc1)F

STL054443
Synonyms: N- [7- (4- chlorophenyl)- 5- oxo- 3,5,6,7- tetrahydro[1,2,4]triazolo[1,5- a]pyrimidin- 2- yl]- 3- methylbutanamide
Smiles: CC(CC(=O)Nc1[nH]c2=NC(=O)CC(n2n1)c1ccc(cc1)Cl)C

STL054456
Synonyms: N'- [(1E)- 1- (1- butyl- 4- hydroxy- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene)ethyl]heptanehydrazide
Smiles: CCCCCCC(=O)NN/C(=C/1\C(=NC(=O)N(C1=O)CCCC)O)/C

STL054458
Synonyms: (5Z)- 4,6- dioxo- 1- (prop- 2- en- 1- yl)- 5- {[2- (1,3,7- trimethyl- 2,6- dioxo- 2,3,6,7- tetrahydro- 1H- purin- 9- ium- 8- yl)hydrazinyl]methylidene}- 1,4,5,6- tetrahydropyrimidine- 2- thiolate
Smiles: C=CCN1C(=NC(=O)/C(=C/NNc2[nH+]c3c(n2C)c(=O)n(c(=O)n3C)C)/C1=O)[S-]

STL054473
Synonyms: (5Z)- 5- {[(furan- 2- ylmethyl)amino]methylidene}- 1- (propan- 2- yl)- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: O=C1N=C(S)N(C(=O)/C/1=C\NCc1ccco1)C(C)C

STL054492
Synonyms: {[4- ammonio- 5- (3- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetate
Smiles: COc1cccc(c1)c1nnc(n1[NH3+])SCC(=O)[O-]

STL054499
Synonyms: 2- ({[2- ethyl- 5- (4- methoxyphenyl)- 4- oxothieno[2,3- d]pyrimidin- 3(4H)- yl]amino}methylidene)- 5,5- dimethylcyclohexane- 1,3- dione
Smiles: CCc1nc2scc(c2c(=O)n1NC=C1C(=O)CC(CC1=O)(C)C)c1ccc(cc1)OC

STL054501
Synonyms: (2E)- 3- (4- ethoxy- 3- methoxyphenyl)- 2- [(3- methyl- 1H- 1,2,4- triazol- 4- ium- 5- yl)sulfanyl]prop- 2- enoate
Smiles: CCOc1ccc(cc1OC)/C=C(\C(=O)[O-])/Sc1[nH]nc([nH+]1)C

STL054504
Synonyms: N- [7- (4- chlorophenyl)- 5- oxo- 3,5,6,7- tetrahydro[1,2,4]triazolo[1,5- a]pyrimidin- 2- yl]acetamide
Smiles: CC(=O)Nc1[nH]c2=NC(=O)CC(n2n1)c1ccc(cc1)Cl

STL054510
Synonyms: 4- [4- (4- chlorophenyl)piperazin- 1- yl]- 4- oxo- N- [(2Z)- 5- (trifluoromethyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]butanamide
Smiles: O=C(N1CCN(CC1)c1ccc(cc1)Cl)CCC(=O)/N=c\1/[nH]nc(s1)C(F)(F)F

STL054514
Synonyms: N- (4- methylphenyl)- Nalpha- (piperidin- 4- ylcarbonyl)- L- phenylalaninamide
Smiles: Cc1ccc(cc1)NC(=O)[C@@H](NC(=O)C1CCNCC1)Cc1ccccc1

STL054524
Synonyms: 6- hydroxy- 1,3- dimethyl- 5- {(1E)- N- [3- (trifluoromethyl)phenyl]propanimidoyl}pyrimidine- 2,4(1H,3H)- dione
Smiles: CC/C(=N\c1cccc(c1)C(F)(F)F)/c1c(O)n(C)c(=O)n(c1=O)C

STL054531
Synonyms: 1- (2- methylbenzyl)- 3- phenyl- 1,5,6,7- tetrahydropyrrolo[1,2- a]imidazol- 4- ium
Smiles: Cc1ccccc1Cn1cc([n+]2c1CCC2)c1ccccc1

STL054536
Synonyms: N- [(E)- (5- nitrothiophen- 2- yl)methylidene]- 1H- benzimidazol- 1- amine
Smiles: [O-][N+](=O)c1ccc(s1)/C=N/n1cnc2c1cccc2

STL054538
Synonyms: N'- [(1Z)- 1- (2,6- dihydroxy- 4- oxopyrimidin- 5(4H)- ylidene)propyl]pentanehydrazide
Smiles: CCCCC(=O)NN/C(=C\1/C(=NC(=NC1=O)O)O)/CC

STL054542
Synonyms: 2- ({6- amino- 2- [(4- chlorobenzyl)amino]- 5- nitropyrimidin- 4- yl}amino)ethanol
Smiles: OCCNc1nc(NCc2ccc(cc2)Cl)nc(c1[N+](=O)[O-])N

STL054546
Synonyms: 6- ({4- (dimethylamino)- 6- [methoxy(methyl)amino]- 1,3,5- triazin- 2- yl}oxy)pyridazin- 3(2H)- one
Smiles: CON(c1nc(Oc2ccc(=O)[nH]n2)nc(n1)N(C)C)C

STL054548
Synonyms: 6- hydroxy- 3- methyl- 7- (4- methylbenzyl)- 8- [(4- methyl- 4H- 1,2,4- triazol- 3- yl)sulfanyl]- 3,7- dihydro- 2H- purin- 2- one
Smiles: Cc1ccc(cc1)Cn1c(nc2c1c(O)nc(=O)n2C)Sc1nncn1C

STL054564
Synonyms: N- [(pyridin- 3- ylmethyl)carbamoyl]phenylalanine
Smiles: O=C(NC(C(=O)O)Cc1ccccc1)NCc1cccnc1

STL054568
Synonyms: 3- {2- ammonio- 3- [(4- chlorobenzyl)carbamoyl]- 1H- pyrrolo[2,3- b]quinoxalin- 1- yl}phenolate
Smiles: Clc1ccc(cc1)CNC(=O)c1c2nc3ccccc3nc2n(c1[NH3+])c1cccc(c1)[O-]

STL054570
Synonyms: N- (3,5- dimethylphenyl)- N'- [(2Z)- 5- (2- methylpropyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]butanediamide
Smiles: CC(Cc1n[nH]/c(=N/C(=O)CCC(=O)Nc2cc(C)cc(c2)C)/s1)C

STL054602
Synonyms: N- [7- (4- chlorophenyl)- 5- oxo- 3,5,6,7- tetrahydro[1,2,4]triazolo[1,5- a]pyrimidin- 2- yl]- 2- methylpropanamide
Smiles: O=C(C(C)C)Nc1nn2c(=NC(=O)CC2c2ccc(cc2)Cl)[nH]1

STL054607
Synonyms: 4- hydroxy- 6,7- dimethoxy- N- [2- (morpholin- 4- yl)ethyl]- 2- oxo- 1,2- dihydroquinoline- 3- carboxamide
Smiles: COc1cc2c(O)c(C(=O)NCCN3CCOCC3)c(=O)[nH]c2cc1OC

STL054611
Synonyms: ethyl4- {[(5- chloro- 2- methoxyphenyl)sulfonyl]amino}- 5- methoxy- 1,2- dimethyl- 1H- indole- 3- carboxylate
Smiles: CCOC(=O)c1c(C)n(c2c1c(NS(=O)(=O)c1cc(Cl)ccc1OC)c(OC)cc2)C

STL054615
Synonyms: 2- [4- (4- cyanophenoxy)quinazolin- 1- ium- 2- yl]phenolate
Smiles: N#Cc1ccc(cc1)Oc1nc([nH+]c2c1cccc2)c1ccccc1[O-]

STL054619
Synonyms:
Smiles: CCOCCCNc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1cccc2c1nsn2

STL054625
Synonyms: 4- oxo- 4- (piperidin- 1- yl)- N- [(2Z)- 5- propyl- 1,3,4- thiadiazol- 2(3H)- ylidene]butanamide
Smiles: CCCc1n[nH]/c(=N/C(=O)CCC(=O)N2CCCCC2)/s1

STL054627
Synonyms: N- acridin- 9- yltyrosine
Smiles: OC(=O)C(Nc1c2ccccc2nc2c1cccc2)Cc1ccc(cc1)O

STL054628
Synonyms: (5Z)- 3- butyl- 5- {1- [(furan- 2- ylmethyl)amino]ethylidene}- 6- hydroxypyrimidine- 2,4(3H,5H)- dione
Smiles: CCCCN1C(=O)N=C(/C(=C(/NCc2ccco2)\C)/C1=O)O

STL054637
Synonyms: 2- {4- [2- (propan- 2- yloxy)phenoxy]quinazolin- 1- ium- 2- yl}phenolate
Smiles: CC(Oc1ccccc1Oc1nc([nH+]c2c1cccc2)c1ccccc1[O-])C

STL054649
Synonyms: 4- {[(E)- {1- [2- (cyclohex- 1- en- 1- yl)ethyl]- 4,6- dioxo- 2- sulfanyl- 1,6- dihydropyrimidin- 5(4H)- ylidene}methyl]amino}benzoicacid
Smiles: OC(=O)c1ccc(cc1)N/C=C/1\C(=O)N=C(N(C1=O)CCC1=CCCCC1)S

STL054655
Synonyms: 3- (3- chloro- 4- methoxyphenyl)tetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- imine5,5- dioxide
Smiles: COc1ccc(cc1Cl)N1C(=N)SC2C1CS(=O)(=O)C2

STL054656
Synonyms: 4- {[(E)- biphenyl- 4- ylmethylidene]amino}- 5- (2,4,5,6- tetrahydrocyclopenta[c]pyrazol- 3- yl)- 4H- 1,2,4- triazole- 3- thiol
Smiles: Sc1nnc(n1/N=C/c1ccc(cc1)c1ccccc1)c1[nH]nc2c1CCC2

STL054657
Synonyms: 9- [3- methoxy- 4- (propan- 2- yloxy)phenyl]- 6,6- dimethyl- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: COc1cc(ccc1OC(C)C)C1C2=C(O)CC(CC2=Nc2n1ncn2)(C)C

STL054659
Synonyms: {[5- (4- tert- butylphenyl)- 4- methyl- 4H- 1,2,4- triazol- 2- ium- 3- yl]sulfanyl}acetate
Smiles: [O-]C(=O)CSc1[nH+]nc(n1C)c1ccc(cc1)C(C)(C)C

STL054667
Synonyms: 2- [4- (2- methylphenoxy)quinazolin- 1- ium- 2- yl]phenolate
Smiles: Cc1ccccc1Oc1nc([nH+]c2c1cccc2)c1ccccc1[O-]

STL054670
Synonyms: N- [7- (4- chlorophenyl)- 5- oxo- 3,5,6,7- tetrahydro[1,2,4]triazolo[1,5- a]pyrimidin- 2- yl]- 4- methylbenzenesulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)Nc1[nH]c2=NC(=O)CC(n2n1)c1ccc(cc1)Cl

STL054674
Synonyms: N- cyclooctyl- N'- [(2Z)- 5- (trifluoromethyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]butanediamide
Smiles: O=C(NC1CCCCCCC1)CCC(=O)/N=c\1/[nH]nc(s1)C(F)(F)F

STL054683
Synonyms: (5E)- 1- cyclohexyl- 5- {[(2- methylpropyl)amino]methylidene}- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: CC(CN/C=C/1\C(=O)N=C(N(C1=O)C1CCCCC1)S)C

STL054685
Synonyms: 4,4- dimethoxy- 4,5,6,7- tetrahydro- 2,1,3- benzoxadiazol- 5- ol
Smiles: COC1(OC)C(O)CCc2c1non2

STL054690
Synonyms: (5E)- 3- cyclohexyl- 5- [1- (hexylamino)propylidene]- 6- hydroxypyrimidine- 2,4(3H,5H)- dione
Smiles: CCCCCCN/C(=C/1\C(=NC(=O)N(C1=O)C1CCCCC1)O)/CC

STL054697
Synonyms: (5E)- 1- cyclopropyl- 4,6- dioxo- 5- {[(2,2,6,6- tetramethylpiperidinium- 4- yl)amino]methylidene}- 1,4,5,6- tetrahydropyrimidine- 2- thiolate
Smiles: O=C1N=C([S-])N(C(=O)/C/1=C/NC1CC(C)(C)[NH2+]C(C1)(C)C)C1CC1

STL054701
Synonyms: (5Z)- 1- (4- methoxyphenyl)- 4,6- dioxo- 5- {[2- (1,3,7- trimethyl- 2,6- dioxo- 2,3,6,7- tetrahydro- 1H- purin- 9- ium- 8- yl)hydrazinyl]methylidene}- 1,4,5,6- tetrahydropyrimidine- 2- thiolate
Smiles: COc1ccc(cc1)N1C(=NC(=O)/C(=C/NNc2[nH+]c3c(n2C)c(=O)n(c(=O)n3C)C)/C1=O)[S-]

STL054711
Synonyms: 2- bromo- 6- ethoxy- 4- {(E)- [2- (morpholin- 4- ium- 4- yl)- 4- oxo- 1,3- thiazol- 5(4H)- ylidene]methyl}phenolate
Smiles: CCOc1cc(/C=C\2/SC(=NC2=O)[NH+]2CCOCC2)cc(c1[O-])Br

STL054727
Synonyms: N- cyclopentyl- N'- [(2Z)- 5- (2- methylpropyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]butanediamide
Smiles: CC(Cc1n[nH]/c(=N/C(=O)CCC(=O)NC2CCCC2)/s1)C

STL054728
Synonyms: (2Z)- 2- [(2,4- dichlorophenyl)imino]- 7- (furan- 2- yl)- 2,6,7,8- tetrahydroquinazolin- 5(1H)- one
Smiles: Clc1ccc(c(c1)Cl)/N=c/1\ncc2c([nH]1)CC(CC2=O)c1ccco1

STL054740
Synonyms: 6'- amino- 5- fluoro- 3'- (methoxymethyl)- 2- oxo- 1,2- dihydro- 2'H- spiro[indole- 3,4'- pyrano[2,3- c]pyrazole]- 5'- carbonitrile
Smiles: COCc1[nH]nc2c1C1(C(=O)Nc3c1cc(F)cc3)C(=C(O2)N)C#N

STL054742
Synonyms: 1- (2,2- dimethyltetrahydro- 2H- pyran- 4- yl)- 4- (4- fluorophenyl)- 4,6- dihydro- 1H- pyrazolo[3,4- e][1,4]thiazepine- 3,7- diol
Smiles: Fc1ccc(cc1)C1SCC(=Nc2c1c(O)nn2C1CCOC(C1)(C)C)O

STL054744
Synonyms: N,N'- ethane- 1,2- diylbis(5- hydroxypyridine- 3- carboxamide)
Smiles: Oc1cncc(c1)C(=O)NCCNC(=O)c1cncc(c1)O

STL054745
Synonyms: 2- cyclopropyl- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4- ol
Smiles: Oc1nc(nc2c1c1CCCCc1s2)C1CC1

STL054746
Synonyms: 2- chloro- N- [(2- oxo- 1,2- dihydroquinolin- 4- yl)methyl]- N- phenylacetamide
Smiles: ClCC(=O)N(c1ccccc1)Cc1cc(=O)[nH]c2c1cccc2

STL054752
Synonyms: 4- (2- fluorophenyl)- 2- phenyl- 4,6,7,8- tetrahydro- 2H- pyrazolo[3,4- b]quinoline- 3,5- diol
Smiles: OC1=C2C(=Nc3c(C2c2ccccc2F)c(O)n(n3)c2ccccc2)CCC1

STL054756
Synonyms: (5E)- 5- [(1- ethyl- 1H- indol- 3- yl)methylidene]- 1- (prop- 2- en- 1- yl)- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: C=CCN1C(=NC(=O)/C(=C\c2cn(c3c2cccc3)CC)/C1=O)S

STL054772
Synonyms: 3- (2- ethoxyphenyl)- 6- hydroxy- 1',6'- dimethyl- 1',4'- dihydro- 2H,2'H- spiro[pyrimidine- 5,3'- quinoline]- 2,4(3H)- dione
Smiles: CCOc1ccccc1N1C(=O)N=C(C2(C1=O)CN(C)c1c(C2)cc(cc1)C)O

STL054778
Synonyms: 5- [4- (benzyloxy)benzyl]- 6- hydroxy- 5- [2- (pyridin- 4- yl)ethyl]pyrimidine- 2,4(3H,5H)- dione
Smiles: O=C1NC(=O)C(C(=N1)O)(CCc1ccncc1)Cc1ccc(cc1)OCc1ccccc1

STL054796
Synonyms: (5Z)- 5- [(1- tert- butyl- 1H- pyrrol- 2- yl)methylidene]- 3- (3- fluorophenyl)- 6- hydroxypyrimidine- 2,4(3H,5H)- dione
Smiles: Fc1cccc(c1)N1C(=O)N=C(/C(=C/c2cccn2C(C)(C)C)/C1=O)O

STL054812
Synonyms: (5Z)- 3- butyl- 5- {1- [(2,4- dimethoxyphenyl)amino]ethylidene}- 6- hydroxypyrimidine- 2,4(3H,5H)- dione
Smiles: CCCCN1C(=O)N=C(/C(=C(/Nc2ccc(cc2OC)OC)\C)/C1=O)O

STL054814
Synonyms: (E)- {2- (3- hydroxyphenyl)- 1- [3- (1H- imidazol- 3- ium- 1- yl)propyl]- 4,5- dioxopyrrolidin- 3- ylidene}(2- methyl- 2,3- dihydro- 1- benzofuran- 5- yl)methanolate
Smiles: CC1Oc2c(C1)cc(cc2)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)O)CCCn1c[nH+]cc1)/[O-]

STL054816
Synonyms: 5- [(E)- (benzylimino)methyl]- 2- hydroxy- 4- (phenylamino)pyridine- 3- carbonitrile
Smiles: N#Cc1c(O)ncc(c1Nc1ccccc1)/C=N/Cc1ccccc1

STL054818
Synonyms: (4E)- 1- (1,5- dimethyl- 3- oxo- 2- phenyl- 2,3- dihydro- 1H- pyrazol- 4- yl)- 5- (4- fluorophenyl)- 4- [hydroxy(phenyl)methylidene]pyrrolidine- 2,3- dione
Smiles: Fc1ccc(cc1)C1/C(=C(/c2ccccc2)\O)/C(=O)C(=O)N1c1c(=O)n(n(c1C)C)c1ccccc1

STL054835
Synonyms: N- [(2E)- 5- (3,4- dimethoxyphenyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]- 2- (4- fluorophenoxy)acetamide
Smiles: COc1cc(ccc1OC)c1n[nH]/c(=N\C(=O)COc2ccc(cc2)F)/s1

STL054837
Synonyms: 2- amino- 9- (2- chloro- 6- fluorophenyl)- 7- hydroxy- 4- methyl- 8,9- dihydrothieno[2,3- b:4,5- b']dipyridine- 3- carbonitrile
Smiles: N#Cc1c(N)nc2c(c1C)sc1c2C(CC(=N1)O)c1c(F)cccc1Cl

STL054838
Synonyms: 4- {[(3Z)- 3- {[(2,5- dimethylphenyl)sulfonyl]imino}- 3,4- dihydroquinoxalin- 2- yl]amino}benzoicacid
Smiles: Cc1ccc(c(c1)S(=O)(=O)/N=c/1\[nH]c2ccccc2nc1Nc1ccc(cc1)C(=O)O)C

STL054843
Synonyms: N- [(3E)- 1,7- dimethyl- 1,2- dihydro- 3H- pyrazolo[3,4- b]quinolin- 3- ylidene]butanamide
Smiles: CCCC(=O)/N=c\1/[nH]n(c2c1cc1ccc(cc1n2)C)C

STL054853
Synonyms: N- ethyl- N- [(2- hydroxyquinolin- 4- yl)methyl]- 2- methylpropanamide
Smiles: CCN(C(=O)C(C)C)Cc1cc(O)nc2c1cccc2

STL054862
Synonyms: (5E)- 5- {1- [(2,5- dimethoxyphenyl)amino]propylidene}- 2,6- dihydroxypyrimidin- 4(5H)- one
Smiles: COc1ccc(c(c1)N/C(=C/1\C(=NC(=NC1=O)O)O)/CC)OC

STL054867
Synonyms: 2- amino- 3- methyl- N'- [(E)- quinoxalin- 6- ylmethylidene]butanehydrazide(non- preferredname)
Smiles: CC(C(C(=O)N/N=C/c1ccc2c(c1)nccn2)N)C

STL054868
Synonyms: N- [(4Z)- 6,6- dimethyl- 1,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- ylidene]- 4- methoxyaniline
Smiles: COc1ccc(cc1)/N=c/1\nc[nH]c2c1c1CC(C)(C)OCc1s2

STL054871
Synonyms: 3- chloro- N- [(2E)- 5- [2- (morpholin- 4- yl)ethyl]- 1,3,4- thiadiazol- 2(3H)- ylidene]benzamide
Smiles: Clc1cccc(c1)C(=O)/N=c/1\[nH]nc(s1)CCN1CCOCC1

STL054873
Synonyms: 3- [(5Z)- 5- ({3- [2- methyl- 4- (propan- 2- yloxy)phenyl]- 1- phenyl- 1H- pyrazol- 4- yl}methylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]propanoicacid
Smiles: OC(=O)CCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2C)OC(C)C)c2ccccc2)/C1=O

STL054893
Synonyms: 3- {[(1E)- 1- (1- benzyl- 4- hydroxy- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene)propyl]amino}benzoicacid
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)Cc1ccccc1)O)/Nc1cccc(c1)C(=O)O

STL054898
Synonyms: 4- {4- [(4- chlorophenyl)sulfonyl]piperazin- 1- yl}- 4- oxo- N- [(2Z)- 5- propyl- 1,3,4- thiadiazol- 2(3H)- ylidene]butanamide
Smiles: CCCc1n[nH]/c(=N/C(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)c2ccc(cc2)Cl)/s1

STL054903
Synonyms: N'- [(E)- (4- hydroxyphenyl)methylidene]- 2- [(2- methyl- 4- oxoquinazolin- 3(4H)- yl)oxy]acetohydrazide
Smiles: O=C(COn1c(C)nc2c(c1=O)cccc2)N/N=C/c1ccc(cc1)O

STL054915
Synonyms: N- [7- (4- chlorophenyl)- 5- oxo- 3,5,6,7- tetrahydro[1,2,4]triazolo[1,5- a]pyrimidin- 2- yl]- 2- (3,4- dimethoxyphenyl)acetamide
Smiles: COc1cc(ccc1OC)CC(=O)Nc1nn2c(=NC(=O)CC2c2ccc(cc2)Cl)[nH]1

STL054922
Synonyms: 4- {[(E)- (3- ethoxy- 2- hydroxyphenyl)methylidene]amino}- 5- (5- methyl- 1H- pyrazol- 3- yl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: CCOc1cccc(c1O)/C=N/n1c(=S)[nH]nc1c1n[nH]c(c1)C

STL054923
Synonyms: 3- [5- (3,4- dimethoxyphenyl)- 1,2,4- oxadiazol- 3- yl]- 6- methylquinolin- 2(1H)- one
Smiles: COc1cc(ccc1OC)c1onc(n1)c1cc2cc(C)ccc2[nH]c1=O

STL054929
Synonyms: (2E)- 3- {4- [(4- carboxybenzyl)oxy]phenyl}- 2- [(3- methyl- 1H- 1,2,4- triazol- 4- ium- 5- yl)sulfanyl]prop- 2- enoate
Smiles: [O-]C(=O)/C(=C\c1ccc(cc1)OCc1ccc(cc1)C(=O)O)/Sc1[nH]nc([nH+]1)C

STL054952
Synonyms: propyl4- {[(3Z)- 3- {[(2,5- dimethylphenyl)sulfonyl]imino}- 3,4- dihydroquinoxalin- 2- yl]amino}benzoate
Smiles: CCCOC(=O)c1ccc(cc1)Nc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1cc(C)ccc1C

STL054958
Synonyms: 2- ({(1E)- 1- [4- hydroxy- 2,6- dioxo- 1- (prop- 2- en- 1- yl)- 1,6- dihydropyrimidin- 5(2H)- ylidene]ethyl}amino)- N,N,N- trimethylethanaminium
Smiles: C=CCN1C(=O)N=C(/C(=C(\NCC[N+](C)(C)C)/C)/C1=O)O

STL054960
Synonyms: (5Z)- 5- [(1- ethyl- 2,5- dimethyl- 1H- pyrrol- 3- yl)methylidene]- 6- hydroxy- 3- (4- methoxyphenyl)pyrimidine- 2,4(3H,5H)- dione
Smiles: COc1ccc(cc1)N1C(=O)N=C(/C(=C/c2cc(n(c2C)CC)C)/C1=O)O

STL055000
Synonyms: ethyl[(5Z)- 5- {[(phenylsulfanyl)acetyl]imino}- 4,5- dihydro- 1,3,4- thiadiazol- 2- yl]acetate
Smiles: CCOC(=O)Cc1n[nH]/c(=N/C(=O)CSc2ccccc2)/s1

STL055010
Synonyms: 4- {[(1E,2E)- 3- (2- nitrophenyl)prop- 2- en- 1- ylidene]amino}- 5- (5- phenyl- 1H- pyrazol- 3- yl)- 4H- 1,2,4- triazole- 3- thiol
Smiles: [O-][N+](=O)c1ccccc1/C=C/C=N/n1c(S)nnc1c1n[nH]c(c1)c1ccccc1

STL055011
Synonyms: ethyl5- (cyanomethyl)- 3- methyl- 1- benzofuran- 2- carboxylate
Smiles: CCOC(=O)c1oc2c(c1C)cc(cc2)CC#N

STL055013
Synonyms: (5E)- 1- (prop- 2- en- 1- yl)- 2- sulfanyl- 5- [(tricyclo[3.3.1.1~3,7~]dec- 2- ylamino)methylidene]pyrimidine- 4,6(1H,5H)- dione
Smiles: C=CCN1C(=NC(=O)/C(=C\NC2C3CC4CC2CC(C3)C4)/C1=O)S

STL055022
Synonyms: N,N- diethyl- 2- [(2- ethyl[1]benzofuro[3,2- d]pyrimidin- 4- yl)oxy]ethanamine
Smiles: CCN(CCOc1nc(CC)nc2c1oc1c2cccc1)CC

STL055036
Synonyms: (3aR,6aS)- 3- (2,4- dimethoxyphenyl)- 5- (2- methyl- 4- nitrophenyl)- 3aH- pyrrolo[3,4- d][1,2]oxazole- 4,6(5H,6aH)- dione
Smiles: COc1ccc(c(c1)OC)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1C)[N+](=O)[O-]

STL055058
Synonyms: (5E)- 3- benzyl- 6- hydroxy- 5- (1- {[3- (1H- imidazol- 1- yl)propyl]amino}ethylidene)pyrimidine- 2,4(3H,5H)- dione
Smiles: O=C1N=C(O)/C(=C(\NCCCn2cncc2)/C)/C(=O)N1Cc1ccccc1

STL055059
Synonyms: 4,11,11- trimethyl- 8- nitro- 3,4- dihydro- 1,4- methanophenazine- 1(2H)- carboxylicacid
Smiles: [O-][N+](=O)c1ccc2c(c1)nc1c(n2)C2(C(C1(CC2)C(=O)O)(C)C)C

STL055061
Synonyms: 5- propyl- 4,6,7,8- tetrahydrocyclopenta[d]pyrazolo[3,4- b]pyridin- 1- amine
Smiles: CCCc1[nH]c2nnc(c2c2c1CCC2)N

STL055063
Synonyms: 3- {[(4- fluoro- 3- methylphenyl)sulfonyl]amino}- 1H- indole- 2- carboxylicacid
Smiles: OC(=O)c1[nH]c2c(c1NS(=O)(=O)c1ccc(c(c1)C)F)cccc2

STL055076
Synonyms: 4- {[(E)- (4- hydroxyphenyl)methylidene]amino}- 5- (2,4,5,6- tetrahydrocyclopenta[c]pyrazol- 3- yl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Oc1ccc(cc1)/C=N/n1c(=S)[nH]nc1c1[nH]nc2c1CCC2

STL055077
Synonyms: 4- {[(E)- (5- bromo- 2- methoxyphenyl)methylidene]amino}- 5- (5- phenyl- 1H- pyrazol- 3- yl)- 4H- 1,2,4- triazole- 3- thiol
Smiles: COc1ccc(cc1/C=N/n1c(S)nnc1c1n[nH]c(c1)c1ccccc1)Br

STL055097
Synonyms: (2E)- 3- [5- (2,5- dichlorophenyl)furan- 2- yl]- 2- [(3- methyl- 1H- 1,2,4- triazol- 4- ium- 5- yl)sulfanyl]prop- 2- enoate
Smiles: Clc1ccc(c(c1)c1ccc(o1)/C=C(\C(=O)[O-])/Sc1[nH]nc([nH+]1)C)Cl

STL055110
Synonyms: ethyl5- (acetyloxy)- 2- [(dimethylamino)methyl]- 1- methyl- 1H- indole- 3- carboxylate
Smiles: CCOC(=O)c1c(CN(C)C)n(c2c1cc(cc2)OC(=O)C)C

STL055113
Synonyms: 2- (3,4- dimethoxybenzyl)- 12- phenyl- 12H- chromeno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 3- ium- 9- olate
Smiles: COc1ccc(cc1OC)Cc1[nH+]n2c(n1)c1c(nc2)Oc2c(C1c1ccccc1)ccc(c2)[O-]

STL055125
Synonyms: 2- [4- (4- nitrophenyl)piperazin- 1- yl]- 5- (propan- 2- ylidene)- 1,3- thiazol- 4(5H)- one
Smiles: CC(=C1SC(=NC1=O)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-])C

STL055128
Synonyms: 4- chloro- N- [4- hydroxy- 1- (2- methylpropyl)- 2,6- dioxo- 5- (trifluoromethyl)- 2,5,6,7- tetrahydro- 1H- pyrrolo[2,3- d]pyrimidin- 5- yl]benzenesulfonamide
Smiles: CC(Cn1c(=O)nc(c2c1NC(=O)C2(NS(=O)(=O)c1ccc(cc1)Cl)C(F)(F)F)O)C

STL055129
Synonyms: 8- (cyclopentylamino)- 3,7- dimethyl- 1- (4- nitrobenzyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: O=c1n(Cc2ccc(cc2)[N+](=O)[O-])c(=O)c2c(n1C)nc(n2C)NC1CCCC1

STL055137
Synonyms: 6- (2,6- dimethoxyphenyl)- 3- (2,4,5,6- tetrahydrocyclopenta[c]pyrazol- 3- yl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: COc1cccc(c1c1nn2c(s1)nnc2c1[nH]nc2c1CCC2)OC

STL055140
Synonyms: tert- butylN- {(E)- [1- (4- bromophenyl)- 4- hydroxy- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene]methyl}methioninate
Smiles: CSCCC(C(=O)OC(C)(C)C)N/C=C/1\C(=NC(=O)N(C1=O)c1ccc(cc1)Br)O

STL055145
Synonyms: N'- [(E)- (5- bromo- 2- hydroxyphenyl)methylidene]- 2- [(2- methyl- 4- oxoquinazolin- 3(4H)- yl)oxy]acetohydrazide
Smiles: O=C(COn1c(C)nc2c(c1=O)cccc2)N/N=C/c1cc(Br)ccc1O

STL055152
Synonyms: N- [(2- methoxybenzyl)carbamoyl]valine
Smiles: COc1ccccc1CNC(=O)NC(C(=O)O)C(C)C

STL055157
Synonyms: N- [(2Z)- 5- (3,4- dimethoxybenzyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]butanamide
Smiles: CCCC(=O)/N=c\1/[nH]nc(s1)Cc1ccc(c(c1)OC)OC

STL055176
Synonyms: ethylN- {[(4- methyl- 5- phenyl- 4H- 1,2,4- triazol- 3- yl)sulfanyl]acetyl}glycinate
Smiles: CCOC(=O)CNC(=O)CSc1nnc(n1C)c1ccccc1

STL055184
Synonyms: tert- butyl(3- {(2E)- 2- [(2- methyl- 2H- chromen- 3- yl)methylidene]hydrazinyl}- 3- oxopropyl)carbamate(non- preferredname)
Smiles: O=C(N/N=C/C1=Cc2ccccc2OC1C)CCNC(=O)OC(C)(C)C

STL055187
Synonyms: N- [(2Z)- 5- cyclohexyl- 1,3,4- thiadiazol- 2(3H)- ylidene]- N'- (2- methoxybenzyl)butanediamide
Smiles: COc1ccccc1CNC(=O)CCC(=O)/N=c\1/[nH]nc(s1)C1CCCCC1

STL055192
Synonyms: (5E)- 1- benzyl- 2,6- dioxo- 5- [(1- propyl- 1,2,3,4- tetrahydroquinolinium- 6- yl)methylidene]- 1,2,5,6- tetrahydropyrimidin- 4- olate
Smiles: CCC[NH+]1CCCc2c1ccc(c2)/C=C/1\C(=NC(=O)N(C1=O)Cc1ccccc1)[O-]

STL055195
Synonyms: 2- (3,5- dimethyl- 4- nitro- 1H- pyrazol- 1- yl)- N'- [(E)- pyridin- 3- ylmethylidene]propanehydrazide
Smiles: O=C(C(n1nc(c(c1C)[N+](=O)[O-])C)C)N/N=C/c1cccnc1

STL055200
Synonyms: 4- {[(E)- (2- hydroxy- 3- methoxyphenyl)methylidene]amino}- 5- (5- methyl- 1H- pyrazol- 3- yl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1cccc(c1O)/C=N/n1c(=S)[nH]nc1c1n[nH]c(c1)C

STL055207
Synonyms: N- [(3- chloro- 4- methoxyphenyl)carbamoyl]valine
Smiles: COc1ccc(cc1Cl)NC(=O)NC(C(=O)O)C(C)C

STL055217
Synonyms: N- (2- phenyl[1]benzofuro[3,2- d]pyrimidin- 4- yl)- D- methionine
Smiles: CSCC[C@H](C(=O)O)Nc1nc(nc2c1oc1c2cccc1)c1ccccc1

STL055222
Synonyms: 1- {5- [(2,5- dimethylbenzyl)sulfanyl]- 1,3,4- oxadiazol- 2- yl}- 2- phenylethanamine
Smiles: Cc1ccc(c(c1)CSc1nnc(o1)C(Cc1ccccc1)N)C

STL055224
Synonyms: (2Z)- 2- [(4- methoxyphenyl)imino]- 7,7- dimethyl- 2,6,7,8- tetrahydroquinazolin- 5(1H)- one
Smiles: COc1ccc(cc1)/N=c/1\ncc2c([nH]1)CC(CC2=O)(C)C

STL055232
Synonyms: 2- (4- methoxyphenyl)- N- (5- oxo- 7- phenyl- 3,5,6,7- tetrahydro[1,2,4]triazolo[1,5- a]pyrimidin- 2- yl)acetamide
Smiles: COc1ccc(cc1)CC(=O)Nc1[nH]c2=NC(=O)CC(n2n1)c1ccccc1

STL055236
Synonyms: 3- [(cyclohexylamino)methyl]- 6- methoxyquinolin- 2(1H)- one
Smiles: COc1ccc2c(c1)cc(c(=O)[nH]2)CNC1CCCCC1

STL055247
Synonyms: (4E)- 1- [2- (2- hydroxyethoxy)ethyl]- 4- [hydroxy(thiophen- 2- yl)methylidene]- 5- (pyridin- 2- yl)pyrrolidine- 2,3- dione
Smiles: OCCOCCN1C(c2ccccn2)/C(=C(/c2cccs2)\O)/C(=O)C1=O

STL055251
Synonyms: 2- (2- chlorophenoxy)- N- [(2Z)- 1,3,4- thiadiazol- 2(3H)- ylidene]acetamide
Smiles: O=C(/N=c/1\scn[nH]1)COc1ccccc1Cl

STL055253
Synonyms: (2E)- (5- bromo- 1- ethyl- 2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene)[(3- methyl- 1H- 1,2,4- triazol- 4- ium- 5- yl)sulfanyl]ethanoate
Smiles: CCN1C(=O)/C(=C(\C(=O)[O-])/Sc2[nH]nc([nH+]2)C)/c2c1ccc(c2)Br

STL055254
Synonyms: (5Z)- 1- (butan- 2- yl)- 5- ({[4- (propan- 2- yl)phenyl]amino}methylidene)- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: CCC(N1C(=NC(=O)/C(=C/Nc2ccc(cc2)C(C)C)/C1=O)S)C

STL055258
Synonyms: 6- methoxy- 3- {[(2- methoxyphenyl)amino]methyl}quinolin- 2(1H)- one
Smiles: COc1ccc2c(c1)cc(c(=O)[nH]2)CNc1ccccc1OC

STL055261
Synonyms: 3- [(cyclohexylamino)methyl]- 8- methylquinolin- 2(1H)- one
Smiles: Cc1cccc2c1[nH]c(=O)c(c2)CNC1CCCCC1

STL055265
Synonyms: (2Z)- 2- [(3- fluorophenyl)imino]- 5- nitro- N~6~- phenyl- 1,2- dihydropyrimidine- 4,6- diamine
Smiles: Fc1cccc(c1)/N=c/1\nc(N)c(c([nH]1)Nc1ccccc1)[N+](=O)[O-]

STL055271
Synonyms: 1- {5- [(4- chlorobenzyl)sulfanyl]- 1,3,4- oxadiazol- 2- yl}- 2- methylbutan- 1- amine
Smiles: CCC(C(c1nnc(o1)SCc1ccc(cc1)Cl)N)C

STL055300
Synonyms: (3S,3a'R,8a'S,8b'S)- 5,7- dimethyl- 2'- (2- methyl- 4- nitrophenyl)- 3a',6',7',8',8a',8b'- hexahydro- 1'H- spiro[indole- 3,4'- pyrrolo[3,4- a]pyrrolizine]- 1',2,3'(1H,2'H)- trione
Smiles: Cc1cc(C)c2c(c1)[C@@]1(C(=O)N2)N2CCC[C@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1C)[N+](=O)[O-]

STL055304
Synonyms: 8- {[4- (2- hydroxyethyl)piperazin- 1- ium- 1- yl]methyl}- 3- (4- methoxyphenyl)- 4- oxo- 2- (trifluoromethyl)- 4H- chromen- 7- olate
Smiles: OCCN1CC[NH+](CC1)Cc1c([O-])ccc2c1oc(c(c2=O)c1ccc(cc1)OC)C(F)(F)F

STL055316
Synonyms: (2Z)- 2- [(4- ethylphenyl)imino]- 7- (thiophen- 2- yl)- 2,6,7,8- tetrahydroquinazolin- 5(1H)- one
Smiles: CCc1ccc(cc1)/N=c/1\ncc2c([nH]1)CC(CC2=O)c1cccs1

STL055320
Synonyms: 6- amino- 4- (2,4- dichlorophenyl)- 3- (4- ethoxy- 3- methoxyphenyl)- 2,4- dihydropyrano[2,3- c]pyrazole- 5- carbonitrile
Smiles: CCOc1ccc(cc1OC)c1[nH]nc2c1C(C(=C(O2)N)C#N)c1ccc(cc1Cl)Cl

STL055329
Synonyms: 4- {[4- (butan- 2- yl)- 2,5- dioxoimidazolidin- 1- yl]methyl}benzenesulfonamide
Smiles: CCC(C1NC(=O)N(C1=O)Cc1ccc(cc1)S(=O)(=O)N)C

STL055330
Synonyms: N- (1,2,3,4- tetrahydronaphthalen- 1- ylcarbamoyl)- L- valine
Smiles: O=C(NC1CCCc2c1cccc2)N[C@H](C(=O)O)C(C)C

STL055336
Synonyms: N,N,N',N'- tetramethyl- P- [(4- nitrophenoxy)methyl]phosphonicdiamide
Smiles: CN(P(=O)(N(C)C)COc1ccc(cc1)[N+](=O)[O-])C

STL055356
Synonyms: N- [2- (dimethylamino)ethyl]- 2- methylquinoline- 4- carboxamide
Smiles: CN(CCNC(=O)c1cc(C)nc2c1cccc2)C

STL055367
Synonyms: 4- {[(E)- (3- methylphenyl)methylidene]amino}- 5- (5- phenyl- 1H- pyrazol- 3- yl)- 4H- 1,2,4- triazole- 3- thiol
Smiles: Cc1cccc(c1)/C=N/n1c(S)nnc1c1n[nH]c(c1)c1ccccc1

STL055376
Synonyms: 2- amino- N'- [(E)- 2H- chromen- 3- ylmethylidene]- 3- methylbutanehydrazide(non- preferredname)
Smiles: CC(C(C(=O)N/N=C/C1=Cc2c(OC1)cccc2)N)C

STL055379
Synonyms: 4- (1,3- dimethyl- 2,6- dioxo- 2,3,6,7- tetrahydro- 1H- purin- 9- ium- 8- yl)phenolate
Smiles: [O-]c1ccc(cc1)c1[nH]c2c([nH+]1)n(C)c(=O)n(c2=O)C

STL055380
Synonyms: ethyl4- [4- (4- fluorophenyl)- 3- methyl- 6- oxo- 2,6- dihydropyrrolo[3,4- c]pyrazol- 5(4H)- yl]benzoate
Smiles: CCOC(=O)c1ccc(cc1)N1C(=O)c2c(C1c1ccc(cc1)F)c([nH]n2)C

STL055381
Synonyms: N- tert- butyl- N- [(2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]propanamide
Smiles: CCC(=O)N(C(C)(C)C)Cc1cc2ccccc2[nH]c1=O

STL055383
Synonyms: 2- {4- [2- (methoxycarbonyl)phenoxy]quinazolin- 1- ium- 2- yl}phenolate
Smiles: COC(=O)c1ccccc1Oc1nc([nH+]c2c1cccc2)c1ccccc1[O-]

STL055390
Synonyms: 6- methyl- 2- [(4- methylquinazolin- 2- yl)amino]- 5- pentylpyrimidin- 4- ol
Smiles: CCCCCc1c(C)nc(nc1O)Nc1nc(C)c2c(n1)cccc2

STL055397
Synonyms: N- [(2Z)- 3- [(tetrahydrofuran- 2- ylmethyl)amino]quinoxalin- 2(1H)- ylidene]thiophene- 2- sulfonamide
Smiles: O=S(=O)(c1cccs1)/N=c/1\[nH]c2ccccc2nc1NCC1CCCO1

STL055403
Synonyms: N'- [(Z)- {1- [2- (cyclohex- 1- en- 1- yl)ethyl]- 4,6- dioxo- 2- sulfanyl- 1,6- dihydropyrimidin- 5(4H)- ylidene}methyl]pyridine- 4- carbohydrazide
Smiles: O=C(c1ccncc1)NN/C=C\1/C(=O)N=C(N(C1=O)CCC1=CCCCC1)S

STL055408
Synonyms: 1- {5- [(4- chlorobenzyl)sulfanyl]- 1,3,4- oxadiazol- 2- yl}- 2- (1H- indol- 3- yl)ethanamine
Smiles: Clc1ccc(cc1)CSc1nnc(o1)C(Cc1c[nH]c2c1cccc2)N

STL055409
Synonyms: 7- phenyl- 7H- pyrazolo[4,3- e][1,2,4]triazolo[4,3- c]pyrimidine- 3- thiol
Smiles: Sc1nnc2n1cnc1c2cnn1c1ccccc1

STL055411
Synonyms: 8- (cyclohexylamino)- 6- hydroxy- 7- (2- hydroxyethyl)- 3- methyl- 3,7- dihydro- 2H- purin- 2- one
Smiles: OCCn1c(NC2CCCCC2)nc2c1c(O)nc(=O)n2C

STL055427
Synonyms: N- [(2E)- 5- (2- methoxyphenyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]tricyclo[3.3.1.1~3,7~]decane- 1- carboxamide
Smiles: COc1ccccc1c1n[nH]/c(=N\C(=O)C23CC4CC(C3)CC(C2)C4)/s1

STL055433
Synonyms: 4,6- dihydroxy- 5- (2- nitrobenzyl)pyrimidin- 2- olate
Smiles: [O-]c1nc(O)c(c(n1)O)Cc1ccccc1[N+](=O)[O-]

STL055437
Synonyms: S- (2- chloro- 5- methoxybenzyl)- L- cysteine
Smiles: COc1cc(CSC[C@@H](C(=O)O)N)c(cc1)Cl

STL055440
Synonyms: (E)- {2- (furan- 2- yl)- 1- [3- (1H- imidazol- 3- ium- 1- yl)propyl]- 4,5- dioxopyrrolidin- 3- ylidene}(2- methyl- 2,3- dihydro- 1- benzofuran- 5- yl)methanolate
Smiles: CC1Oc2c(C1)cc(cc2)/C(=C/1\C(=O)C(=O)N(C1c1ccco1)CCCn1c[nH+]cc1)/[O-]

STL055444
Synonyms: N- [(2Z)- 5- ethyl- 1,3,4- thiadiazol- 2(3H)- ylidene]- 4- {4- [2- (4- methylphenoxy)ethyl]piperazin- 1- yl}- 4- oxobutanamide
Smiles: CCc1n[nH]/c(=N/C(=O)CCC(=O)N2CCN(CC2)CCOc2ccc(cc2)C)/s1

STL055453
Synonyms: N- [(2Z)- 5- cyclohexyl- 1,3,4- thiadiazol- 2(3H)- ylidene]- 4- oxo- 4- [4- (pyridin- 2- yl)piperazin- 1- yl]butanamide
Smiles: O=C(/N=c\1/[nH]nc(s1)C1CCCCC1)CCC(=O)N1CCN(CC1)c1ccccn1

STL055454
Synonyms: 2- phenyl- 4- (2,3,4- trimethoxyphenyl)- 4,6,7,8- tetrahydro- 2H- pyrazolo[3,4- b]quinoline- 3,5- diol
Smiles: COc1c(ccc(c1OC)OC)C1C2=C(O)CCCC2=Nc2c1c(O)n(n2)c1ccccc1

STL055468
Synonyms:
Smiles: OC(=O)c1cccc(c1)Nc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1cccc2c1nsn2

STL055489
Synonyms: N- [(2Z)- 5- (2- methylpropyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]- 4- {4- [2- (naphthalen- 1- yloxy)ethyl]piperazin- 1- yl}- 4- oxobutanamide
Smiles: CC(Cc1n[nH]/c(=N/C(=O)CCC(=O)N2CCN(CC2)CCOc2cccc3c2cccc3)/s1)C

STL055494
Synonyms: 2- methoxy- N- [(2E)- 5- (2- methoxyphenyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]benzamide
Smiles: COc1ccccc1C(=O)/N=c/1\[nH]nc(s1)c1ccccc1OC

STL055501
Synonyms: N- [(4E)- 2- ethyl[1]benzofuro[3,2- d]pyrimidin- 4(3H)- ylidene]- 4- methylaniline
Smiles: CCc1[nH]/c(=N/c2ccc(cc2)C)/c2c(n1)c1ccccc1o2

STL055502
Synonyms: methylN- [(2- methoxybenzyl)carbamoyl]- D- phenylalaninate
Smiles: COC(=O)[C@@H](Cc1ccccc1)NC(=O)NCc1ccccc1OC

STL055511
Synonyms: (5E)- 3- benzyl- 6- hydroxy- 5- (1- {[3- (1H- imidazol- 1- yl)propyl]amino}propylidene)pyrimidine- 2,4(3H,5H)- dione
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)Cc1ccccc1)O)/NCCCn1cncc1

STL055512
Synonyms: N- [(2Z)- 5- (furan- 2- yl)- 1,3,4- thiadiazol- 2(3H)- ylidene]- 2- (3- methylphenoxy)acetamide
Smiles: Cc1cccc(c1)OCC(=O)/N=c\1/[nH]nc(s1)c1ccco1

STL055520
Synonyms: N- [N'- (4- chloro- 2,5- dimethoxyphenyl)- N- (4,6- dimethylpyrimidin- 2- yl)carbamimidoyl]- 2- (1,3- dioxooctahydro- 2H- isoindol- 2- yl)- 3- phenylpropanamide
Smiles: COc1cc(Cl)c(cc1/N=C(/Nc1nc(C)cc(n1)C)\NC(=O)C(N1C(=O)C2C(C1=O)CCCC2)Cc1ccccc1)OC

STL055525
Synonyms: 6- methoxy- 3- [5- (pyridin- 4- yl)- 1,2,4- oxadiazol- 3- yl]quinolin- 2(1H)- one
Smiles: COc1ccc2c(c1)cc(c(=O)[nH]2)c1noc(n1)c1ccncc1

STL055531
Synonyms: 4- chloro- N- (4- hydroxy- 6,7- dimethoxyquinazolin- 2- yl)benzamide
Smiles: COc1cc2nc(NC(=O)c3ccc(cc3)Cl)nc(c2cc1OC)O

STL055536
Synonyms: 4- (2- ethoxyphenyl)- 1- (propan- 2- yl)- 4,6- dihydro- 1H- pyrazolo[3,4- e][1,4]thiazepine- 3,7- diol
Smiles: CCOc1ccccc1C1SCC(=Nc2c1c(O)nn2C(C)C)O

STL055557
Synonyms: 2- [2- (4- amino- 1,2,5- oxadiazol- 3- yl)- 1H- benzimidazol- 1- yl]- N'- [(E)- (3- nitrophenyl)methylidene]acetohydrazide
Smiles: O=C(Cn1c(nc2c1cccc2)c1nonc1N)N/N=C/c1cccc(c1)[N+](=O)[O-]

STL055567
Synonyms: (5Z)- 1- benzyl- 5- {1- [(4- methylpiperazin- 4- ium- 1- yl)amino]ethylidene}- 2,6- dioxo- 1,2,5,6- tetrahydropyrimidin- 4- olate
Smiles: C[NH+]1CCN(CC1)N/C(=C\1/C(=NC(=O)N(C1=O)Cc1ccccc1)[O-])/C

STL055568
Synonyms: (4E)- 5- (4- fluorophenyl)- 4- [furan- 2- yl(hydroxy)methylidene]- 1- (5- methyl- 1,3,4- thiadiazol- 2- yl)pyrrolidine- 2,3- dione
Smiles: Fc1ccc(cc1)C1/C(=C(/c2ccco2)\O)/C(=O)C(=O)N1c1nnc(s1)C

STL055571
Synonyms: 2- (1,3- dioxo- 1,3,3a,4,7,7a- hexahydro- 2H- 4,7- methanoisoindol- 2- yl)- 3- (1H- imidazol- 3- ium- 4- yl)propanoate
Smiles: [O-]C(=O)C(N1C(=O)C2C(C1=O)C1CC2C=C1)Cc1c[nH]c[nH+]1

STL055585
Synonyms: N- [4- (benzyloxy)phenyl]- 2- {[5- (4- tert- butylphenyl)- 4- (4- methylphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)OCc1ccccc1)CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)C(C)(C)C

STL055586
Synonyms: 3- [5- (2- methoxyphenyl)- 1,2,4- oxadiazol- 3- yl]- 6- methylquinolin- 2(1H)- one
Smiles: COc1ccccc1c1onc(n1)c1cc2cc(C)ccc2[nH]c1=O

STL055590
Synonyms: N- [(2Z)- 5- (3,4- dimethoxybenzyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]- 3- methylbutanamide
Smiles: COc1cc(ccc1OC)Cc1n[nH]/c(=N/C(=O)CC(C)C)/s1

STL055596
Synonyms: 1- {5- [(3- fluorobenzyl)sulfanyl]- 1,3,4- oxadiazol- 2- yl}- 3- methylbutan- 1- amine
Smiles: CC(CC(c1nnc(o1)SCc1cccc(c1)F)N)C

STL055605
Synonyms: 2- (4- methoxyphenyl)- 12- phenyl- 12H- chromeno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 3- ium- 9- olate
Smiles: COc1ccc(cc1)c1[nH+]n2c(n1)c1c(nc2)Oc2c(C1c1ccccc1)ccc(c2)[O-]

STL055608
Synonyms: 1- (3,4- dihydroxyphenyl)- 2- {[5- (2- methoxyphenyl)- 4- (prop- 2- en- 1- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}ethanone
Smiles: C=CCn1c(SCC(=O)c2ccc(c(c2)O)O)nnc1c1ccccc1OC

STL055612
Synonyms: 6- chloro- 3- {[4- (4- fluorophenyl)- 5- (thiophen- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- 4- phenylquinolin- 2- ol
Smiles: Fc1ccc(cc1)n1c(nnc1c1cccs1)Sc1c(O)nc2c(c1c1ccccc1)cc(cc2)Cl

STL055632
Synonyms: (1- {[(E)- (5- nitrothiophen- 2- yl)methylidene]amino}- 1H- benzimidazol- 2- yl)methanol
Smiles: OCc1nc2c(n1/N=C/c1ccc(s1)[N+](=O)[O-])cccc2

STL055642
Synonyms: 1- (bicyclo[2.2.1]hept- 5- en- 2- yl)- 1,4- dihydro- 5H- tetrazole- 5- thione
Smiles: C1C(C2CC1C=C2)n1nn[nH]c1=S

STL055646
Synonyms: 2- {(2E)- 2- [1- (4- chlorophenyl)ethylidene]hydrazinyl}- 3- hydroxyquinazolin- 4(3H)- one
Smiles: Clc1ccc(cc1)/C(=N/Nc1nc2ccccc2c(=O)n1O)/C

STL055653
Synonyms: 4- [(2- {2- [(Z)- (1- cyclohexyl- 4- hydroxy- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene)methyl]- 1H- indol- 3- yl}ethyl)amino]- 4- oxobutanoicacid
Smiles: O=C(CCC(=O)O)NCCc1c(/C=C\2/C(=NC(=O)N(C2=O)C2CCCCC2)O)[nH]c2c1cccc2

STL055666
Synonyms: 2- (4- chlorophenyl)- 12- (4- methoxyphenyl)- 12H- chromeno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 3- ium- 9- olate
Smiles: COc1ccc(cc1)C1c2ccc(cc2Oc2c1c1nc([nH+]n1cn2)c1ccc(cc1)Cl)[O-]

STL055692
Synonyms: 8- {[4- (2- hydroxyethyl)piperazin- 1- ium- 1- yl]methyl}- 4- oxo- 3- phenyl- 4H- chromen- 7- olate
Smiles: OCCN1CC[NH+](CC1)Cc1c([O-])ccc2c1occ(c2=O)c1ccccc1

STL055714
Synonyms: methyl{2- [N'- (2,3- dihydro- 1,4- benzodioxin- 6- yl)carbamimidamido]- 6- hydroxypyrimidin- 4- yl}acetate
Smiles: COC(=O)Cc1nc(NC(=N)Nc2ccc3c(c2)OCCO3)nc(c1)O

STL055722
Synonyms: 2- [4- (4- methylphenoxy)quinazolin- 1- ium- 2- yl]phenolate
Smiles: Cc1ccc(cc1)Oc1nc([nH+]c2c1cccc2)c1ccccc1[O-]

STL055730
Synonyms: (4Z)- 6- [(3,5- dimethylpiperidin- 1- yl)methyl]- 4- [(2- methoxyphenyl)imino]- 4,5- dihydro- 1,3,5- triazin- 2- amine
Smiles: COc1ccccc1/N=c/1\nc(N)nc([nH]1)CN1CC(C)CC(C1)C

STL055734
Synonyms: ethyl(4- hydroxy- 3H- 1,5- benzodiazepin- 2- yl)acetate
Smiles: CCOC(=O)CC1=Nc2ccccc2N=C(C1)O

STL055748
Synonyms: ethylN- ({[5- phenyl- 4- (prop- 2- en- 1- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetyl)glycinate
Smiles: C=CCn1c(SCC(=O)NCC(=O)OCC)nnc1c1ccccc1

STL055751
Synonyms: 2- {[(2E)- 4,6- dimethylquinazolin- 2(1H)- ylidene]amino}- 7- phenyl- 7,8- dihydroquinazolin- 5(6H)- one
Smiles: Cc1ccc2c(c1)c(C)n/c(=N/c1ncc3c(n1)CC(CC3=O)c1ccccc1)/[nH]2

STL055757
Synonyms: 2- [(E)- 2- (3- nitrophenyl)ethenyl]- 1- [3- (trifluoromethyl)phenyl]- 1H- imidazo[4,5- b]quinoxaline
Smiles: [O-][N+](=O)c1cccc(c1)/C=C/c1nc2c(n1c1cccc(c1)C(F)(F)F)nc1c(n2)cccc1

STL055761
Synonyms: (5Z)- 1- (butan- 2- yl)- 5- {[(2,5- dimethoxyphenyl)amino]methylidene}- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: COc1ccc(c(c1)N/C=C\1/C(=O)N=C(N(C1=O)C(CC)C)S)OC

STL055767
Synonyms: 2- {4- [4- (2- methylbutan- 2- yl)phenoxy]quinazolin- 1- ium- 2- yl}phenolate
Smiles: CCC(c1ccc(cc1)Oc1nc([nH+]c2c1cccc2)c1ccccc1[O-])(C)C

STL055780
Synonyms: N- [1- (2,3- dimethoxybenzyl)- 6,6- dimethyl- 2,4- dioxo- 3- (trifluoromethyl)- 2,3,4,5,6,7- hexahydro- 1H- indol- 3- yl]- 3,4,5- trimethoxybenzamide
Smiles: COc1c(cccc1OC)CN1C2=C(C(C1=O)(NC(=O)c1cc(OC)c(c(c1)OC)OC)C(F)(F)F)C(=O)CC(C2)(C)C

STL055791
Synonyms: 2- oxo- N- [(2E)- 6- (piperidin- 1- ylsulfonyl)- 1,3- benzothiazol- 2(3H)- ylidene]- 2H- chromene- 3- carboxamide
Smiles: O=C(c1cc2ccccc2oc1=O)/N=c\1/sc2c([nH]1)ccc(c2)S(=O)(=O)N1CCCCC1

STL055797
Synonyms: N- [(3E)- 7- methyl- 1- (2- methylpropyl)- 1,2- dihydro- 3H- pyrazolo[3,4- b]quinolin- 3- ylidene]pyridine- 4- carboxamide
Smiles: CC(Cn1[nH]/c(=N/C(=O)c2ccncc2)/c2c1nc1cc(C)ccc1c2)C

STL055802
Synonyms: decyl4- {5- [(1E)- 2- cyano- 3- (decyloxy)- 3- oxoprop- 1- en- 1- yl]furan- 2- yl}benzoate
Smiles: CCCCCCCCCCOC(=O)c1ccc(cc1)c1ccc(o1)/C=C(/C(=O)OCCCCCCCCCC)\C#N

STL055808
Synonyms: N- [7- (4- chlorophenyl)- 5- oxo- 3,5,6,7- tetrahydro[1,2,4]triazolo[1,5- a]pyrimidin- 2- yl]- 2- phenoxyacetamide
Smiles: O=C(Nc1nn2c(=NC(=O)CC2c2ccc(cc2)Cl)[nH]1)COc1ccccc1

STL055827
Synonyms: 2- [2- (butan- 2- yl)phenoxy]- N- (2,4- dihydroxypyrimidin- 5- yl)acetamide
Smiles: CCC(c1ccccc1OCC(=O)Nc1cnc(nc1O)O)C

STL055840
Synonyms: N- (5- oxo- 7- phenyl- 3,5,6,7- tetrahydro[1,2,4]triazolo[1,5- a]pyrimidin- 2- yl)pyridine- 3- carboxamide
Smiles: O=C1N=c2[nH]c(nn2C(C1)c1ccccc1)NC(=O)c1cccnc1

STL055853
Synonyms: methyl2- [(3E)- 3- [2,3- dihydro- 1,4- benzodioxin- 6- yl(hydroxy)methylidene]- 2- (4- methoxyphenyl)- 4,5- dioxopyrrolidin- 1- yl]- 4- methyl- 1,3- thiazole- 5- carboxylate
Smiles: COC(=O)c1sc(nc1C)N1C(c2ccc(cc2)OC)/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C1=O

STL055862
Synonyms: 6,8- dibromo- 3- {[2- (1,2- dihydroacenaphthylen- 5- yl)- 1,3- thiazolidin- 3- yl]carbonyl}- 2H- chromen- 2- one
Smiles: Brc1cc(Br)c2c(c1)cc(c(=O)o2)C(=O)N1CCSC1c1ccc2c3c1cccc3CC2

STL055873
Synonyms: 4- {(E)- [5- iminio- 7- oxo- 2- (pentan- 3- yl)- 5H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 6(7H)- ylidene]methyl}- 2- methoxyphenolate
Smiles: CCC(c1nn2c(=NC(=O)/C(=C/c3ccc(c(c3)OC)[O-])/C2=[NH2+])s1)CC

STL055877
Synonyms: (2Z)- 2- [(3- chlorophenyl)imino]- 6- (4- methylpiperidin- 1- yl)- 5- nitro- 1,2- dihydropyrimidin- 4- amine
Smiles: CC1CCN(CC1)c1[nH]/c(=N/c2cccc(c2)Cl)/nc(c1[N+](=O)[O-])N

STL055878
Synonyms: 7- hydroxy- 5- methyl[1,2,4]triazolo[1,5- a]pyrimidin- 3- ium- 2- carboxylate
Smiles: Cc1cc(O)n2c(n1)[nH+]c(n2)C(=O)[O-]

STL055880
Synonyms: 3,6- dichloro- N- [(2E)- 4- (4- methoxyphenyl)- 1,3- thiazol- 2(3H)- ylidene]- 1- benzothiophene- 2- carboxamide
Smiles: COc1ccc(cc1)c1cs/c(=N/C(=O)c2sc3c(c2Cl)ccc(c3)Cl)/[nH]1

STL055885
Synonyms: 4- hydroxy- 6,7- dimethoxy- 2- oxo- N- [2- (piperazin- 1- yl)ethyl]- 1,2- dihydroquinoline- 3- carboxamide
Smiles: COc1cc2c(O)c(C(=O)NCCN3CCNCC3)c(=O)[nH]c2cc1OC

STL055889
Synonyms: N- [(4- butylphenyl)carbamoyl]valine
Smiles: CCCCc1ccc(cc1)NC(=O)NC(C(=O)O)C(C)C

STL055890
Synonyms: N- [(2Z)- 3- [(4- methoxybenzyl)amino]quinoxalin- 2(1H)- ylidene]- 3,4- dimethylbenzenesulfonamide
Smiles: COc1ccc(cc1)CNc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1ccc(c(c1)C)C

STL055893
Synonyms: 4- [(E)- {[3- (4- fluorophenyl)- 5- thioxo- 1,5- dihydro- 4H- 1,2,4- triazol- 4- yl]imino}methyl]benzoicacid
Smiles: Fc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1ccc(cc1)C(=O)O

STL055900
Synonyms: 2- [(E)- {2- [(2- methyl- 1H- imidazol- 3- ium- 1- yl)acetyl]hydrazinylidene}methyl]phenolate
Smiles: O=C(Cn1cc[nH+]c1C)N/N=C/c1ccccc1[O-]

STL055910
Synonyms: N- (cyclohexylcarbamoyl)- L- phenylalanine
Smiles: O=C(NC1CCCCC1)N[C@H](C(=O)O)Cc1ccccc1

STL055918
Synonyms: 6- (biphenyl- 4- yl)- 3- (2,4,5,6- tetrahydrocyclopenta[c]pyrazol- 3- yl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: c1ccc(cc1)c1ccc(cc1)C1=Nn2c(SC1)nnc2c1[nH]nc2c1CCC2

STL055932
Synonyms: 6- methyl- 3- (5- methyl- 1,2,4- oxadiazol- 3- yl)quinolin- 2(1H)- one
Smiles: Cc1onc(n1)c1cc2cc(C)ccc2[nH]c1=O

STL055936
Synonyms: 7,8- dihydro- 6H- 5,8- ethanopyrido[3,2- d]pyrimidin- 4- ol
Smiles: Oc1ncnc2c1N1CCC2CC1

STL055941
Synonyms: (5E)- 2,6- dihydroxy- 5- (1- {[4- (propan- 2- yl)phenyl]amino}ethylidene)pyrimidin- 4(5H)- one
Smiles: OC1=NC(=O)/C(=C(/Nc2ccc(cc2)C(C)C)\C)/C(=N1)O

STL055949
Synonyms: 9- (4- ethylphenyl)- 4- hydroxy- 1,7- dimethyl- 6,7,8,9- tetrahydropyrimido[2,1- f]purin- 2(1H)- one
Smiles: CCc1ccc(cc1)N1CC(C)Cn2c1nc1c2c(O)nc(=O)n1C

STL055957
Synonyms: 1- (2- {[4- (ethoxycarbonyl)phenyl]amino}- 2- oxoethyl)- 3- (4- methoxyphenyl)- 1,5,6,7- tetrahydropyrrolo[1,2- a]imidazol- 4- ium
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)Cn1cc([n+]2c1CCC2)c1ccc(cc1)OC

STL055958
Synonyms: 6- hydroxy- 8- [4- (2- hydroxyethyl)piperazin- 1- yl]- 3- methyl- 7- [2- (pyrimidin- 2- ylsulfanyl)ethyl]- 3,7- dihydro- 2H- purin- 2- one
Smiles: OCCN1CCN(CC1)c1nc2c(n1CCSc1ncccn1)c(O)nc(=O)n2C

STL055960
Synonyms: 1- {5- [(2,5- dimethylbenzyl)sulfanyl]- 1,3,4- oxadiazol- 2- yl}- 2- methylpropan- 1- amine
Smiles: CC(C(c1nnc(o1)SCc1cc(C)ccc1C)N)C

STL055961
Synonyms: 5- (5- methyl- 1H- pyrazol- 3- yl)- 4- {[(E)- (3- methylthiophen- 2- yl)methylidene]amino}- 4H- 1,2,4- triazole- 3- thiol
Smiles: Cc1[nH]nc(c1)c1nnc(n1/N=C/c1sccc1C)S

STL055969
Synonyms: 7'- nitro- 2,6- dioxo- 1,1',2',3',3a',6- hexahydro- 2H,5'H- spiro[pyrimidine- 5,4'- pyrrolo[1,2- a]quinolinium]- 4- olate
Smiles: O=C1NC(=O)C2(C(=N1)[O-])Cc1cc(ccc1[NH+]1C2CCC1)[N+](=O)[O-]

STL055972
Synonyms: N- [(4- acetylphenyl)carbamoyl]phenylalanine
Smiles: O=C(NC(C(=O)O)Cc1ccccc1)Nc1ccc(cc1)C(=O)C

STL055973
Synonyms: 2- methylpropyl[(2E)- 5- (2- methoxyphenyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]carbamate
Smiles: COc1ccccc1c1n[nH]/c(=N\C(=O)OCC(C)C)/s1

STL055978
Synonyms: 6- chloro- 3- ethyl- 4- methyl- 8- [(3- methylpiperidinium- 1- yl)methyl]- 2- oxo- 2H- chromen- 7- olate
Smiles: CCc1c(=O)oc2c(c1C)cc(c(c2C[NH+]1CCCC(C1)C)[O-])Cl

STL055991
Synonyms: 2- amino- 3- methyl- N'- [(E)- quinolin- 8- ylmethylidene]butanehydrazide(non- preferredname)
Smiles: CC(C(C(=O)N/N=C/c1cccc2c1nccc2)N)C

STL055993
Synonyms: 6- chloro- 3- {[4- (3- ethoxypropyl)- 5- (4- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- 4- phenylquinolin- 2- ol
Smiles: CCOCCCn1c(nnc1c1ccc(cc1)OC)Sc1c(O)nc2c(c1c1ccccc1)cc(cc2)Cl

STL056002
Synonyms: 12- phenyl- 2- (pyridin- 4- yl)- 12H- chromeno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 3- ium- 9- olate
Smiles: [O-]c1ccc2c(c1)Oc1c(C2c2ccccc2)c2nc([nH+]n2cn1)c1ccncc1

STL056008
Synonyms: N- [7- (4- chlorophenyl)- 5- oxo- 3,5,6,7- tetrahydro[1,2,4]triazolo[1,5- a]pyrimidin- 2- yl]butanamide
Smiles: CCCC(=O)Nc1[nH]c2=NC(=O)CC(n2n1)c1ccc(cc1)Cl

STL056014
Synonyms: N- (3- chloro- 4- fluorophenyl)- 6- hydroxy- 2- (piperidin- 1- yl)- 4,5- dihydropyrimidine- 4- carboxamide
Smiles: O=C(C1CC(=NC(=N1)N1CCCCC1)O)Nc1ccc(c(c1)Cl)F

STL056016
Synonyms: 3- [(Z)- 2- hydroxy- 2- (2,4,6- trimethylphenyl)ethenyl]- 2H- 1,4- benzoxazin- 2- one
Smiles: Cc1cc(C)c(c(c1)C)/C(=C/c1nc2ccccc2oc1=O)/O

STL056017
Synonyms: 4- [4- (4,6- dimethylpyrimidin- 2- yl)piperazin- 1- yl]- 4- oxo- N- [(2Z)- 5- (propan- 2- yl)- 1,3,4- thiadiazol- 2(3H)- ylidene]butanamide
Smiles: O=C(/N=c\1/[nH]nc(s1)C(C)C)CCC(=O)N1CCN(CC1)c1nc(C)cc(n1)C

STL056028
Synonyms: 2- [4- (2- fluorophenoxy)quinazolin- 1- ium- 2- yl]phenolate
Smiles: Fc1ccccc1Oc1nc([nH+]c2c1cccc2)c1ccccc1[O-]

STL056034
Synonyms: N'- [(1Z)- 1- (4- hydroxy- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene)propyl]heptanehydrazide
Smiles: CCCCCCC(=O)NN/C(=C/1\C(=O)NC(=O)N=C1O)/CC

STL056044
Synonyms: N- [(3Z)- 1- ethyl- 6- methyl- 1,2- dihydro- 3H- pyrazolo[3,4- b]quinolin- 3- ylidene]pyridine- 4- carboxamide
Smiles: CCn1[nH]/c(=N\C(=O)c2ccncc2)/c2c1nc1ccc(cc1c2)C

STL056046
Synonyms: 6- (4- methylphenyl)- 3- (2,4,5,6- tetrahydrocyclopenta[c]pyrazol- 3- yl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: Cc1ccc(cc1)c1nn2c(s1)nnc2c1[nH]nc2c1CCC2

STL056057
Synonyms: 2- [(E)- {[3- (4- fluorophenyl)- 5- thioxo- 1,5- dihydro- 4H- 1,2,4- triazol- 4- yl]imino}methyl]benzoicacid
Smiles: Fc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1ccccc1C(=O)O

STL056064
Synonyms: methylN- {[3- (trifluoromethyl)phenyl]carbamoyl}- L- valinate
Smiles: COC(=O)[C@H](C(C)C)NC(=O)Nc1cccc(c1)C(F)(F)F

STL056065
Synonyms: (E)- {1'- [2- (dimethylammonio)ethyl]- 2,4',5'- trioxo- 1- propyl- 1,2- dihydro- 3'H- spiro[indole- 3,2'- pyrrolidin]- 3'- ylidene}(5- methylfuran- 2- yl)methanolate
Smiles: CCCN1c2ccccc2C2(C1=O)N(CC[NH+](C)C)C(=O)C(=O)/C/2=C(\c1ccc(o1)C)/[O-]

STL056066
Synonyms: 6- (1H- benzimidazol- 2- yl)- 3- nitro- 5,6,6a,7,8,9,10,11- octahydroazepino[1,2- a]quinoline- 6- carbonitrile
Smiles: N#CC1(Cc2cc(ccc2N2C1CCCCC2)[N+](=O)[O-])c1nc2c([nH]1)cccc2

STL056074
Synonyms: (5Z)- 1- [2- (cyclohex- 1- en- 1- yl)ethyl]- 2,6- dioxo- 5- [(piperidinium- 1- ylamino)methylidene]- 1,2,5,6- tetrahydropyrimidin- 4- olate
Smiles: O=C1N=C([O-])/C(=C/N[NH+]2CCCCC2)/C(=O)N1CCC1=CCCCC1

STL056089
Synonyms: 2,5- dimethoxy- N- [(4Z)- 2- methyl[1]benzofuro[3,2- d]pyrimidin- 4(3H)- ylidene]aniline
Smiles: COc1ccc(c(c1)/N=c/1\[nH]c(C)nc2c1oc1c2cccc1)OC

STL056090
Synonyms: tert- butyl[1- {(2E)- 2- [(2,4- dihydroxy- 6- methylpyrimidin- 5- yl)methylidene]hydrazinyl}- 4- (methylsulfanyl)- 1- oxobutan- 2- yl]carbamate(non- preferredname)
Smiles: CSCCC(C(=O)N/N=C/c1c(C)nc(nc1O)O)NC(=O)OC(C)(C)C

STL056096
Synonyms: 1- (2,5- dimethoxyphenyl)- 2- hydroxy- 1',6'- dimethyl- 1',4'- dihydro- 2'H,4H- spiro[pyrimidine- 5,3'- quinoline]- 4,6(1H)- dione
Smiles: COc1ccc(cc1N1C(=NC(=O)C2(C1=O)CN(C)c1c(C2)cc(cc1)C)O)OC

STL056108
Synonyms: N- [(2E)- 6- (morpholin- 4- ylsulfonyl)- 1,3- benzothiazol- 2(3H)- ylidene]quinoline- 2- carboxamide
Smiles: O=C(c1ccc2c(n1)cccc2)/N=c\1/sc2c([nH]1)ccc(c2)S(=O)(=O)N1CCOCC1

STL056117
Synonyms: 3- (3,4- dichlorophenyl)- 1- [2- (4- fluorophenyl)- 2- oxoethyl]- 1,5,6,7- tetrahydropyrrolo[1,2- a]imidazol- 4- ium
Smiles: Fc1ccc(cc1)C(=O)Cn1cc([n+]2c1CCC2)c1ccc(c(c1)Cl)Cl

STL056118
Synonyms: butyl[(2E)- 5- [(E)- 2- (4- methoxyphenyl)ethenyl]- 1,3,4- thiadiazol- 2(3H)- ylidene]carbamate
Smiles: CCCCOC(=O)/N=c/1\[nH]nc(s1)/C=C/c1ccc(cc1)OC

STL056120
Synonyms: (2Z)- 2- [(2,4- dichlorophenyl)imino]- 7- (4- methoxyphenyl)- 2,6,7,8- tetrahydroquinazolin- 5(1H)- one
Smiles: COc1ccc(cc1)C1CC(=O)c2c(C1)[nH]/c(=N/c1ccc(cc1Cl)Cl)/nc2

STL056126
Synonyms: (1E)- 1- benzylidene- 2- (1,1- dioxidotetrahydrothiophen- 3- yl)hydrazine
Smiles: O=S1(=O)CCC(C1)N/N=C/c1ccccc1

STL056129
Synonyms: tert- butyl[(2S)- 1- {(2E)- 2- [(2,4- dihydroxy- 6- methylpyrimidin- 5- yl)methylidene]hydrazinyl}- 1- oxo- 3- phenylpropan- 2- yl]carbamate(non- preferredname)
Smiles: O=C(OC(C)(C)C)N[C@H](C(=O)N/N=C/c1c(C)nc(nc1O)O)Cc1ccccc1

STL056133
Synonyms: 3- chloro- N- [(4E)- 2- methyl[1]benzofuro[3,2- d]pyrimidin- 4(3H)- ylidene]aniline
Smiles: Clc1cccc(c1)/N=c\1/[nH]c(C)nc2c1oc1c2cccc1

STL056143
Synonyms: 3- [(2E)- 3- (4- carboxyphenyl)triaz- 2- en- 1- yl]- 5- nitrobenzoicacid
Smiles: [O-][N+](=O)c1cc(N/N=N/c2ccc(cc2)C(=O)O)cc(c1)C(=O)O

STL056148
Synonyms: [(4- bromophenyl)sulfonyl][3- (1- heptyl- 1H- 3,1- benzimidazol- 3- ium- 3- yl)quinoxalin- 2- yl]azanide
Smiles: CCCCCCCn1c[n+](c2c1cccc2)c1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(cc1)Br

STL056149
Synonyms: 1- methyl- 5- (1- methyl- 1H- benzimidazol- 3- ium- 2- yl)- 1H- pyrrole- 3- sulfonate
Smiles: Cn1c([nH+]c2c1cccc2)c1cc(cn1C)S(=O)(=O)[O-]

STL056164
Synonyms: 2,2- dimethyl- N- [(2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- N- (propan- 2- yl)propanamide
Smiles: CC(N(C(=O)C(C)(C)C)Cc1cc2ccccc2[nH]c1=O)C

STL056167
Synonyms: N- [(2Z)- 5- [2- (morpholin- 4- yl)ethyl]- 1,3,4- thiadiazol- 2(3H)- ylidene]cyclohexanecarboxamide
Smiles: O=C(C1CCCCC1)/N=c\1/[nH]nc(s1)CCN1CCOCC1

STL056169
Synonyms: (2E)- 3- (2- methoxyphenyl)- 2- [(3- methyl- 1H- 1,2,4- triazol- 4- ium- 5- yl)sulfanyl]prop- 2- enoate
Smiles: COc1ccccc1/C=C(\C(=O)[O-])/Sc1[nH]nc([nH+]1)C

STL056170
Synonyms: (5Z)- 3- (2,4- dimethylphenyl)- 5- {[(2- ethyl- 6- methylphenyl)amino]methylidene}- 6- hydroxypyrimidine- 2,4(3H,5H)- dione
Smiles: CCc1cccc(c1N/C=C\1/C(=NC(=O)N(C1=O)c1ccc(cc1C)C)O)C

STL056179
Synonyms: 6- hydroxy- 3- methyl- 7- propyl- 8- [(2E)- 2- (pyridin- 3- ylmethylidene)hydrazinyl]- 3,7- dihydro- 2H- purin- 2- one
Smiles: CCCn1c(N/N=C/c2cccnc2)nc2c1c(O)nc(=O)n2C

STL056182
Synonyms: 5- {[(E)- (2,4- dimethoxyphenyl)methylidene]amino}pyrimidine- 2,4- diol
Smiles: COc1cc(OC)ccc1/C=N/c1cnc(nc1O)O

STL056184
Synonyms: 1- (2,4- dichlorobenzyl)- 3,7- dimethyl- 8- (pyrrolidin- 1- yl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Clc1ccc(c(c1)Cl)Cn1c(=O)c2n(C)c(nc2n(c1=O)C)N1CCCC1

STL056187
Synonyms: 6- (benzylsulfanyl)- 9H- purin- 2- amine
Smiles: Nc1nc(SCc2ccccc2)c2c(n1)[nH]cn2

STL056197
Synonyms: 4- hydroxy- 7- (3- methoxyphenyl)- 1- (2- methylpropyl)- 5,5- bis(trifluoromethyl)- 5,8- dihydropyrimido[4,5- d]pyrimidin- 2(1H)- one
Smiles: COc1cccc(c1)C1=NC(c2c(N1)n(CC(C)C)c(=O)nc2O)(C(F)(F)F)C(F)(F)F

STL056205
Synonyms: 1- (2- {[3- (ethoxycarbonyl)- 3a,4,5,6,7,7a- hexahydro- 1- benzothiophen- 2- yl]amino}- 2- oxoethyl)- 3- phenyl- 1,5,6,7- tetrahydropyrrolo[1,2- a]imidazol- 4- ium
Smiles: CCOC(=O)C1=C(NC(=O)Cn2cc([n+]3c2CCC3)c2ccccc2)SC2C1CCCC2

STL056220
Synonyms: 2- hydroxy- N'- {(1Z)- 1- [4- hydroxy- 2,6- dioxo- 1- (prop- 2- en- 1- yl)- 1,6- dihydropyrimidin- 5(2H)- ylidene]propyl}benzohydrazide
Smiles: C=CCN1C(=O)N=C(/C(=C(/NNC(=O)c2ccccc2O)\CC)/C1=O)O

STL056227
Synonyms: N- [(2E)- 6- (morpholin- 4- ylsulfonyl)- 1,3- benzothiazol- 2(3H)- ylidene]pyridine- 4- carboxamide
Smiles: O=C(c1ccncc1)/N=c\1/sc2c([nH]1)ccc(c2)S(=O)(=O)N1CCOCC1

STL056231
Synonyms: 1- butyl- 3- (5- hydroxy- 3- methyl- 1- phenyl- 1H- pyrazol- 4- yl)- 6,6- dimethyl- 3- (trifluoromethyl)- 3,5,6,7- tetrahydro- 1H- indole- 2,4- dione
Smiles: CCCCN1C2=C(C(C1=O)(c1c(C)nn(c1O)c1ccccc1)C(F)(F)F)C(=O)CC(C2)(C)C

STL056234
Synonyms: (5Z)- 5- {1- [(1,3- benzodioxol- 5- ylmethyl)amino]ethylidene}- 2,6- dihydroxypyrimidin- 4(5H)- one
Smiles: OC1=NC(=O)/C(=C(\NCc2ccc3c(c2)OCO3)/C)/C(=N1)O

STL056242
Synonyms: 3- {[(3Z)- 3- {[(4- methoxyphenyl)sulfonyl]imino}- 3,4- dihydroquinoxalin- 2- yl]amino}benzoicacid
Smiles: COc1ccc(cc1)S(=O)(=O)/N=c/1\[nH]c2ccccc2nc1Nc1cccc(c1)C(=O)O

STL056247
Synonyms: 1- (2,2- dimethyltetrahydro- 2H- pyran- 4- yl)- 4- (2- methoxyphenyl)- 4,6- dihydro- 1H- pyrazolo[3,4- e][1,4]thiazepine- 3,7- diol
Smiles: COc1ccccc1C1SCC(=Nc2c1c(O)nn2C1CCOC(C1)(C)C)O

STL056248
Synonyms: 6- hydroxy- 1,3- dimethyl- 5- {(1E)- N- [4- (propan- 2- yl)phenyl]ethanimidoyl}pyrimidine- 2,4(1H,3H)- dione
Smiles: CC(c1ccc(cc1)/N=C(/c1c(O)n(C)c(=O)n(c1=O)C)\C)C

STL056251
Synonyms: ethyl4- {[(1E)- 1- (2,6- dihydroxy- 4- oxopyrimidin- 5(4H)- ylidene)propyl]amino}benzoate
Smiles: CCOC(=O)c1ccc(cc1)N/C(=C/1\C(=NC(=NC1=O)O)O)/CC

STL056279
Synonyms: N- [(2Z)- 3- [(3,4- dimethylphenyl)amino]quinoxalin- 2(1H)- ylidene]thiophene- 2- sulfonamide
Smiles: Cc1ccc(cc1C)Nc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1cccs1

STL056289
Synonyms: (5E)- 3- cycloheptyl- 6- hydroxy- 5- {[(tetrahydrofuran- 2- ylmethyl)amino]methylidene}pyrimidine- 2,4(3H,5H)- dione
Smiles: OC1=NC(=O)N(C(=O)/C/1=C/NCC1CCCO1)C1CCCCCC1

STL056291
Synonyms: 2- (9- propyl- 8,9,10,11- tetrahydropyrido[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 1- ium- 2- yl)naphthalen- 1- olate
Smiles: CCCN1CCc2c(C1)sc1c2c2[nH+]c(nn2cn1)c1ccc2c(c1[O-])cccc2

STL056295
Synonyms: 2- [({1- [2- (diethylammonio)ethyl]- 1H- benzimidazol- 2- yl}amino)methyl]phenolate
Smiles: CC[NH+](CCn1c(NCc2ccccc2[O-])nc2c1cccc2)CC

STL056296
Synonyms: 4- {[(E)- (4- hydroxy- 3,5- dimethoxyphenyl)methylidene]amino}- 5- (2,4,5,6- tetrahydrocyclopenta[c]pyrazol- 3- yl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1cc(/C=N/n2c(=S)[nH]nc2c2[nH]nc3c2CCC3)cc(c1O)OC

STL056298
Synonyms: (4E)- 5- (4- hydroxy- 3- methoxyphenyl)- 4- [hydroxy(phenyl)methylidene]- 1- (5- methyl- 1,2- oxazol- 3- yl)pyrrolidine- 2,3- dione
Smiles: COc1cc(ccc1O)C1/C(=C(/c2ccccc2)\O)/C(=O)C(=O)N1c1noc(c1)C

STL056299
Synonyms: [4- (4- fluorophenyl)- 1H- imidazol- 3- ium- 1- yl]acetate
Smiles: [O-]C(=O)Cn1c[nH+]c(c1)c1ccc(cc1)F

STL056312
Synonyms: N- [(2Z)- 4,6- dimethylpyrimidin- 2(1H)- ylidene]- 2- methoxyaniline
Smiles: COc1ccccc1/N=c/1\nc(C)cc([nH]1)C

STL056318
Synonyms: (2Z)- 3- {2- [(4- carboxybenzyl)oxy]phenyl}- 2- [(3- methyl- 1H- 1,2,4- triazol- 4- ium- 5- yl)sulfanyl]prop- 2- enoate
Smiles: [O-]C(=O)/C(=C/c1ccccc1OCc1ccc(cc1)C(=O)O)/Sc1[nH]nc([nH+]1)C

STL056319
Synonyms: N- [(3E)- 7- methyl- 1- (2- methylpropyl)- 1,2- dihydro- 3H- pyrazolo[3,4- b]quinolin- 3- ylidene]furan- 2- carboxamide
Smiles: CC(Cn1[nH]/c(=N/C(=O)c2ccco2)/c2c1nc1cc(C)ccc1c2)C

STL056328
Synonyms: 3- [(propylsulfonyl)amino]- 1H- indole- 2- carboxylicacid
Smiles: CCCS(=O)(=O)Nc1c([nH]c2c1cccc2)C(=O)O

STL056333
Synonyms: 5- hydroxy- 4- (3- methylphenyl)indeno[1,2- d][1,3]thiazin- 2(4H)- one
Smiles: Cc1cccc(c1)C1SC(=O)N=C2C1=C(O)c1c2cccc1

STL056336
Synonyms: 3- cycloheptyl- 6- hydroxy- 1',6'- dimethyl- 1',4'- dihydro- 2H,2'H- spiro[pyrimidine- 5,3'- quinoline]- 2,4(3H)- dione
Smiles: Cc1ccc2c(c1)CC1(CN2C)C(=NC(=O)N(C1=O)C1CCCCCC1)O

STL056347
Synonyms: 3- (4- chlorophenyl)- 5- [2- chloro- 5- (trifluoromethyl)phenyl]- 3aH- pyrrolo[3,4- d][1,2]oxazole- 4,6(5H,6aH)- dione
Smiles: Clc1ccc(cc1)C1=NOC2C1C(=O)N(C2=O)c1cc(ccc1Cl)C(F)(F)F

STL056349
Synonyms: 3- {[(1E)- 1- (1- butyl- 4- hydroxy- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene)ethyl]amino}benzoicacid
Smiles: CCCCN1C(=O)N=C(/C(=C(\Nc2cccc(c2)C(=O)O)/C)/C1=O)O

STL056360
Synonyms: 5- [4- (benzyloxy)benzyl]- 1,3- dimethyl- 2,6- dioxo- 1,2,3,6- tetrahydropyrimidin- 4- olate
Smiles: [O-]c1c(Cc2ccc(cc2)OCc2ccccc2)c(=O)n(c(=O)n1C)C

STL056377
Synonyms: N- {[4- (trifluoromethoxy)phenyl]carbamoyl}alanine
Smiles: CC(C(=O)O)NC(=O)Nc1ccc(cc1)OC(F)(F)F

STL056380
Synonyms: 12- (4- methoxyphenyl)- 2- phenyl- 12H- chromeno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 3- ium- 9- olate
Smiles: COc1ccc(cc1)C1c2ccc(cc2Oc2c1c1nc([nH+]n1cn2)c1ccccc1)[O-]

STL056385
Synonyms: (2Z)- 3- (3- methoxy- 4- methylphenyl)- 2- [(3- methyl- 1H- 1,2,4- triazol- 4- ium- 5- yl)sulfanyl]prop- 2- enoate
Smiles: COc1cc(ccc1C)/C=C(/C(=O)[O-])\Sc1[nH]nc([nH+]1)C

STL056398
Synonyms: [4- (2- ethyl[1]benzofuro[3,2- d]pyrimidin- 4- yl)piperazin- 1- yl](furan- 2- yl)methanone
Smiles: CCc1nc(N2CCN(CC2)C(=O)c2ccco2)c2c(n1)c1ccccc1o2

STL056402
Synonyms: N- (2,4- dimethylphenyl)- N- [(2- oxo- 1,2- dihydroquinolin- 4- yl)methyl]acetamide
Smiles: Cc1ccc(c(c1)C)N(C(=O)C)Cc1cc(=O)[nH]c2c1cccc2

STL056404
Synonyms: 2- {[5- (2- chlorophenyl)- 4- phenyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- 1- (3,4- dihydroxyphenyl)ethanone
Smiles: O=C(c1ccc(c(c1)O)O)CSc1nnc(n1c1ccccc1)c1ccccc1Cl

STL056405
Synonyms: 6- amino- 2- {[(2E)- 3- phenylprop- 2- en- 1- yl]sulfanyl}pyrimidin- 4- ol
Smiles: Nc1nc(SC/C=C/c2ccccc2)nc(c1)O

STL056406
Synonyms: N- (dipropylcarbamoyl)phenylalanine
Smiles: CCCN(C(=O)NC(C(=O)O)Cc1ccccc1)CCC

STL056412
Synonyms: 8- [(2Z)- 2- (2,6- dihydroxy- 4- oxopyrimidin- 5(4H)- ylidene)hydrazinyl]- 6- hydroxy- 7- (2- hydroxyethyl)- 3- methyl- 3,7- dihydro- 2H- purin- 2- one
Smiles: OCCn1c(N/N=C\2/C(=NC(=NC2=O)O)O)nc2c1c(O)nc(=O)n2C

STL056413
Synonyms: 2- [(6- bromo- 5- methyl- 3H- imidazo[4,5- b]pyridin- 2- yl)sulfanyl]- N- {4- [(2,6- dimethylpyrimidin- 4- yl)sulfamoyl]phenyl}acetamide
Smiles: O=C(Nc1ccc(cc1)S(=O)(=O)Nc1cc(C)nc(n1)C)CSc1[nH]c2c(n1)cc(c(n2)C)Br

STL056417
Synonyms: methylN- (1,2,3,4- tetrahydronaphthalen- 1- ylcarbamoyl)methioninate
Smiles: CSCCC(C(=O)OC)NC(=O)NC1CCCc2c1cccc2

STL056424
Synonyms: N- [(3Z)- 1- ethyl- 8- methyl- 1,2- dihydro- 3H- pyrazolo[3,4- b]quinolin- 3- ylidene]- 3- methylbutanamide
Smiles: CCn1[nH]/c(=N\C(=O)CC(C)C)/c2c1nc1c(C)cccc1c2

STL056455
Synonyms: 2- methoxy- 4- {(E)- [2- ({4- [(5- methyl- 3- nitro- 1H- pyrazol- 1- yl)methyl]phenyl}carbonyl)hydrazinylidene]methyl}phenylacetate
Smiles: COc1cc(/C=N/NC(=O)c2ccc(cc2)Cn2nc(cc2C)[N+](=O)[O-])ccc1OC(=O)C

STL056456
Synonyms: 5- (5- phenyl- 1H- pyrazol- 3- yl)- 4- {[(E)- (2,4,6- trimethoxyphenyl)methylidene]amino}- 4H- 1,2,4- triazole- 3- thiol
Smiles: COc1cc(OC)c(c(c1)OC)/C=N/n1c(S)nnc1c1n[nH]c(c1)c1ccccc1

STL056457
Synonyms: methylN- [(2,4- dimethylphenyl)carbamoyl]leucinate
Smiles: COC(=O)C(NC(=O)Nc1ccc(cc1C)C)CC(C)C

STL056469
Synonyms: N- [1- (4- chlorophenyl)- 4- hydroxy- 2,6- dioxo- 5- (trifluoromethyl)- 2,5,6,7- tetrahydro- 1H- pyrrolo[2,3- d]pyrimidin- 5- yl]furan- 2- carboxamide
Smiles: Clc1ccc(cc1)n1c(=O)nc(c2c1NC(=O)C2(NC(=O)c1ccco1)C(F)(F)F)O

STL056470
Synonyms: methyl2- {(3E)- 2- (3- bromo- 4- hydroxy- 5- methoxyphenyl)- 3- [2,3- dihydro- 1,4- benzodioxin- 6- yl(hydroxy)methylidene]- 4,5- dioxopyrrolidin- 1- yl}- 4- methyl- 1,3- thiazole- 5- carboxylate
Smiles: COC(=O)c1sc(nc1C)N1C(=O)C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/O)/C1c1cc(Br)c(c(c1)OC)O

STL056481
Synonyms: (5E)- 5- {1- [(1- benzylpiperidinium- 4- yl)amino]propylidene}- 2,6- dioxo- 1- (prop- 2- en- 1- yl)- 1,2,5,6- tetrahydropyrimidin- 4- olate
Smiles: C=CCN1C(=O)N=C(/C(=C(\NC2CC[NH+](CC2)Cc2ccccc2)/CC)/C1=O)[O-]

STL056488
Synonyms: 2- [(2- methylquinolin- 8- yl)amino]- 4H- pyrido[3,2- e][1,3]thiazin- 4- one
Smiles: Cc1ccc2c(n1)c(ccc2)Nc1nc(=O)c2c(s1)nccc2

STL056493
Synonyms: N- [(3Z)- 1,6- dimethyl- 1,2- dihydro- 3H- pyrazolo[3,4- b]quinolin- 3- ylidene]propanamide
Smiles: CCC(=O)/N=c/1\[nH]n(c2c1cc1cc(C)ccc1n2)C

STL056506
Synonyms: [3- methyl- 1- (2- methylphenyl)- 1H- thieno[2,3- c]pyrazol- 5- yl][4- (4- nitrophenyl)piperazin- 1- yl]methanone
Smiles: O=C(c1cc2c(s1)n(nc2C)c1ccccc1C)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-]

STL056509
Synonyms: (5Z)- 3- (2,5- dimethylphenyl)- 5- [(1- ethyl- 1H- indol- 3- yl)methylidene]- 6- hydroxypyrimidine- 2,4(3H,5H)- dione
Smiles: CCn1cc(c2c1cccc2)/C=C\1/C(=NC(=O)N(C1=O)c1cc(C)ccc1C)O

STL056514
Synonyms: (5Z)- 5- {[1- (4- chlorophenyl)- 2,5- dimethyl- 1H- pyrrol- 3- yl]methylidene}- 1- ethyl- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: CCN1C(=NC(=O)/C(=C/c2cc(n(c2C)c2ccc(cc2)Cl)C)/C1=O)S

STL056522
Synonyms: (5E)- 1- [2- (3,4- dimethoxyphenyl)ethyl]- 5- [(morpholin- 4- ium- 4- ylamino)methylidene]- 2,6- dioxo- 1,2,5,6- tetrahydropyrimidin- 4- olate
Smiles: COc1ccc(cc1OC)CCN1C(=O)N=C(/C(=C\N[NH+]2CCOCC2)/C1=O)[O-]

STL056525
Synonyms: (5E)- 3- butyl- 6- hydroxy- 5- [1- (2- phenylhydrazinyl)ethylidene]pyrimidine- 2,4(3H,5H)- dione
Smiles: CCCCN1C(=O)N=C(/C(=C(\NNc2ccccc2)/C)/C1=O)O

STL056526
Synonyms: (5E)- 5- {[(4- {[2- (diethylammonio)ethoxy]carbonyl}phenyl)amino]methylidene}- 1- (4- methylphenyl)- 4,6- dioxo- 1,4,5,6- tetrahydropyrimidine- 2- thiolate
Smiles: CC[NH+](CCOC(=O)c1ccc(cc1)N/C=C/1\C(=O)N=C(N(C1=O)c1ccc(cc1)C)[S-])CC

STL056528
Synonyms: 1- [2- (2- chlorophenyl)- 2- oxoethyl]- 3- phenyl- 1,5,6,7- tetrahydropyrrolo[1,2- a]imidazol- 4- ium
Smiles: O=C(c1ccccc1Cl)Cn1cc([n+]2c1CCC2)c1ccccc1

STL056530
Synonyms: 3- (4- fluorophenyl)- 1- (2- phenylethyl)- 1,5,6,7- tetrahydropyrrolo[1,2- a]imidazol- 4- ium
Smiles: Fc1ccc(cc1)c1cn(c2[n+]1CCC2)CCc1ccccc1

STL056531
Synonyms: N- [(2Z)- 3- [(4- fluorophenyl)amino]quinoxalin- 2(1H)- ylidene]- 2,5- dimethylbenzenesulfonamide
Smiles: Fc1ccc(cc1)Nc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1cc(C)ccc1C

STL056534
Synonyms: 4- [(4- chlorophenyl)amino]- 4- oxo- 3- [(pyridin- 3- ylmethyl)ammonio]butanoate
Smiles: [O-]C(=O)CC(C(=O)Nc1ccc(cc1)Cl)[NH2+]Cc1cccnc1

STL056552
Synonyms: 6- amino- 2- [(2,6- dichlorobenzyl)sulfanyl]pyrimidin- 4- ol
Smiles: Nc1nc(SCc2c(Cl)cccc2Cl)nc(c1)O

STL056558
Synonyms: N'- [(E)- (2- hydroxyphenyl)methylidene]- 2- [(2- methyl- 4- oxoquinazolin- 3(4H)- yl)oxy]acetohydrazide
Smiles: O=C(COn1c(C)nc2c(c1=O)cccc2)N/N=C/c1ccccc1O

STL056560
Synonyms: 7- methyl- 3- (5- methyl- 1,2,4- oxadiazol- 3- yl)quinolin- 2(1H)- one
Smiles: Cc1onc(n1)c1cc2ccc(cc2[nH]c1=O)C

STL056561
Synonyms: N,2- dimethyl[1]benzofuro[3,2- d]pyrimidin- 4- amine
Smiles: CNc1nc(C)nc2c1oc1c2cccc1

STL056563
Synonyms: 3- [(dibenzylamino)methyl]- 5- (tricyclo[3.3.1.1~3,7~]dec- 1- yl)benzene- 1,2- diol
Smiles: Oc1cc(cc(c1O)CN(Cc1ccccc1)Cc1ccccc1)C12CC3CC(C2)CC(C1)C3

STL056564
Synonyms: N- [(4- sulfamoylphenyl)carbamoyl]leucine
Smiles: CC(CC(C(=O)O)NC(=O)Nc1ccc(cc1)S(=O)(=O)N)C

STL056572
Synonyms: methyl2- {(3E)- 2- (4- hydroxy- 3- methoxyphenyl)- 3- [hydroxy(3- methoxyphenyl)methylidene]- 4,5- dioxopyrrolidin- 1- yl}- 4- methyl- 1,3- thiazole- 5- carboxylate
Smiles: COc1cccc(c1)/C(=C\1/C(c2ccc(c(c2)OC)O)N(C(=O)C1=O)c1sc(c(n1)C)C(=O)OC)/O

STL056574
Synonyms: N- [(3Z)- 1,7- dimethyl- 1,2- dihydro- 3H- pyrazolo[3,4- b]quinolin- 3- ylidene]pyridine- 3- carboxamide
Smiles: Cc1ccc2c(c1)nc1c(c2)/c(=N/C(=O)c2cccnc2)/[nH]n1C

STL056577
Synonyms: 4- {4- [(3- nitrophenyl)sulfonyl]piperazin- 1- yl}- 4- oxo- N- [(2Z)- 5- propyl- 1,3,4- thiadiazol- 2(3H)- ylidene]butanamide
Smiles: CCCc1n[nH]/c(=N/C(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)c2cccc(c2)[N+](=O)[O-])/s1

STL056580
Synonyms: 3- {[(3Z)- 3- {[(3- chlorophenyl)sulfonyl]imino}- 3,4- dihydroquinoxalin- 2- yl]amino}benzoicacid
Smiles: Clc1cccc(c1)S(=O)(=O)/N=c/1\[nH]c2ccccc2nc1Nc1cccc(c1)C(=O)O

STL056583
Synonyms: 1- {2- [(3- acetylphenyl)amino]- 2- oxoethyl}- 3- phenyl- 1,5,6,7- tetrahydropyrrolo[1,2- a]imidazol- 4- ium
Smiles: O=C(Cn1cc([n+]2c1CCC2)c1ccccc1)Nc1cccc(c1)C(=O)C

STL056588
Synonyms: 3- (benzylammonio)- 4- [(4- chlorophenyl)amino]- 4- oxobutanoate
Smiles: [O-]C(=O)CC(C(=O)Nc1ccc(cc1)Cl)[NH2+]Cc1ccccc1

STL056589
Synonyms: (4E)- 5- (4- chlorophenyl)- 4- [hydroxy(4- methylphenyl)methylidene]dihydrofuran- 2,3- dione
Smiles: Cc1ccc(cc1)/C(=C/1\C(=O)C(=O)OC1c1ccc(cc1)Cl)/O

STL056609
Synonyms: 4- {4- [(3- nitrophenyl)sulfonyl]piperazin- 1- yl}- 4- oxo- N- [(2Z)- 5- (trifluoromethyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]butanamide
Smiles: O=C(/N=c\1/[nH]nc(s1)C(F)(F)F)CCC(=O)N1CCN(CC1)S(=O)(=O)c1cccc(c1)[N+](=O)[O-]

STL056613
Synonyms: 4- {[(3Z)- 3- {[(2,4- dimethylphenyl)sulfonyl]imino}- 3,4- dihydroquinoxalin- 2- yl]amino}benzoicacid
Smiles: Cc1ccc(c(c1)C)S(=O)(=O)/N=c/1\[nH]c2ccccc2nc1Nc1ccc(cc1)C(=O)O

STL056621
Synonyms: N- (3- chloro- 4- fluorophenyl)- 6- hydroxy- 2- [(4- methylphenyl)amino]- 4,5- dihydropyrimidine- 4- carboxamide
Smiles: Cc1ccc(cc1)NC1=NC(CC(=N1)O)C(=O)Nc1ccc(c(c1)Cl)F

STL056623
Synonyms: 2- (5- methyl- 3- nitro- 1H- pyrazol- 1- yl)- N'- [(E)- (2,3,4- trimethoxyphenyl)methylidene]acetohydrazide
Smiles: COc1c(/C=N/NC(=O)Cn2nc(cc2C)[N+](=O)[O-])ccc(c1OC)OC

STL056625
Synonyms: 4- ({(1E)- 1- [4- hydroxy- 1- (4- methylphenyl)- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene]propyl}amino)benzoicacid
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccc(cc1)C)O)/Nc1ccc(cc1)C(=O)O

STL056638
Synonyms: 5- ethyl- 1- [(4- fluorophenyl)carbonyl]- 2- hydroxy- 5- phenylpyrimidine- 4,6(1H,5H)- dione
Smiles: CCC1(C(=O)N=C(N(C1=O)C(=O)c1ccc(cc1)F)O)c1ccccc1

STL056642
Synonyms: tert- butyl[1- (5- {[(2,4- dihydroxy- 6- methylpyrimidin- 5- yl)methyl]sulfanyl}- 1,3,4- oxadiazol- 2- yl)- 3- methylbutyl]carbamate
Smiles: CC(CC(c1nnc(o1)SCc1c(C)nc(nc1O)O)NC(=O)OC(C)(C)C)C

STL056646
Synonyms: 2- hydroxy- 3- (3- methylphenyl)- 6- oxo- 5- (1,2,3,4- tetrahydroisoquinolinium- 1- yl)- 3,6- dihydropyrimidin- 4- olate
Smiles: Cc1cccc(c1)n1c(O)nc(=O)c(c1[O-])C1[NH2+]CCc2c1cccc2

STL056649
Synonyms: 1- [4- (4- {[(4E)- 2- methyl[1]benzofuro[3,2- d]pyrimidin- 4(3H)- ylidene]amino}phenyl)piperazin- 1- yl]ethanone
Smiles: Cc1[nH]/c(=N/c2ccc(cc2)N2CCN(CC2)C(=O)C)/c2c(n1)c1ccccc1o2

STL056654
Synonyms: (E)- {2- (4- ethoxy- 3- methoxyphenyl)- 1- [3- (1H- imidazol- 3- ium- 1- yl)propyl]- 4,5- dioxopyrrolidin- 3- ylidene}(2- methyl- 2,3- dihydro- 1- benzofuran- 5- yl)methanolate
Smiles: CCOc1ccc(cc1OC)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\[O-])/C(=O)C(=O)N1CCCn1cc[nH+]c1

STL056658
Synonyms: (3S,3a'R,8a'S,8b'S)- 5,7- dimethyl- 2'- (4- methyl- 3- nitrophenyl)- 3a',6',7',8',8a',8b'- hexahydro- 1'H- spiro[indole- 3,4'- pyrrolo[3,4- a]pyrrolizine]- 1',2,3'(1H,2'H)- trione
Smiles: Cc1cc(C)c2c(c1)[C@@]1(C(=O)N2)N2CCC[C@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(c(c1)[N+](=O)[O-])C

STL056663
Synonyms: 3- methyl- 4- (4- methylphenyl)- 1- phenyl- 4,6- dihydro- 1H- pyrazolo[3,4- e][1,4]thiazepin- 7- ol
Smiles: Cc1ccc(cc1)C1SCC(=Nc2c1c(C)nn2c1ccccc1)O

STL056665
Synonyms: 12- (3,4- dimethoxyphenyl)- 2- (furan- 2- yl)- 12H- chromeno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 3- ium- 9- olate
Smiles: COc1ccc(cc1OC)C1c2ccc(cc2Oc2c1c1nc([nH+]n1cn2)c1ccco1)[O-]

©2018 Vitas M Chemical Limited