COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION

FULL DB

Total number of items: 1598483
Total number of pages: 1599 ( 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, 1551, 1552, 1553, 1554, 1555, 1556, 1557, 1558, 1559, 1560, 1561, 1562, 1563, 1564 1565, 1566, 1567, 1568, 1569, 1570, 1571, 1572, 1573, 1574, 1575, 1576, 1577, 1578, 1579, 1580, 1581, 1582, 1583, 1584, 1585, 1586, 1587, 1588, 1589, 1590, 1591, 1592, 1593, 1594, 1595, 1596, 1597, 1598, 1599,

Prev 1560 1561 1562 1563 1564 1565 1566 1567 1568 1569 Next

STL524674
Synonyms: methyl3- ({[(2R)- 2- (2- ethoxy- 2- oxoethyl)- 3- oxopiperazin- 1- yl]acetyl}amino)- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)C[C@H]1N(CCNC1=O)CC(=O)Nc1c([nH]c2c1cccc2)C(=O)OC

STL524675
Synonyms: (1S,5R)- 3- (2- phenylbutanoyl)- 1,2,3,4,5,6- hexahydro- 8H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 8- one
Smiles: CCC(C(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)c1ccccc1

STL524676
Synonyms: (3S,10R,13R)- 10,13- dimethyl- 17- octyl- 2,3,4,7,8,9,10,11,12,13,14,15,16,17- tetradecahydro- 1H- cyclopenta[a]phenanthren- 3- yl2- chloropropanoate(non- preferredname)
Smiles: CCCCCCCCC1CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CC[C@@H](C2)OC(=O)C(Cl)C

STL524677
Synonyms: (4aR,6aR)- 4a,6a- dimethyl- 8- (6- methylheptan- 2- yl)- 1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11- hexadecahydrochrysen- 2- yl[(5- hydroxy- 4- oxo- 2- phenyl- 4H- chromen- 7- yl)oxy]acetate
Smiles: CC(CCCC(C1CCC2[C@](C1)(C)CCC1C2CC=C2[C@]1(C)CCC(C2)OC(=O)COc1cc(O)c2c(c1)oc(cc2=O)c1ccccc1)C)C

STL524678
Synonyms: N,N- diethyl- 3- (2,5,5- trimethyl- 3,4,4a,10b- tetrahydro- 2H,5H- pyrano[3,2- c]chromen- 2- yl)prop- 2- yn- 1- amine
Smiles: CCN(CC#CC1(C)CCC2C(O1)c1ccccc1OC2(C)C)CC

STL524679
Synonyms: (8xi,9xi,14xi)- 20- oxopregna- 3,5- diene- 3,17,21- triyltriacetate
Smiles: CC(=O)OCC(=O)[C@]1(CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CCC(=C2)OC(=O)C)OC(=O)C

STL524680
Synonyms: N- (4- oxo- 4- {[(8xi,9xi,14xi)- 3- oxoandrost- 4- en- 17- yl]oxy}butanoyl)glycyltryptophan
Smiles: O=C(CCC(=O)OC1CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)NCC(=O)NC(C(=O)O)Cc1c[nH]c2c1cccc2

STL524681
Synonyms: 5- (1,2- dihydroacenaphthylen- 5- ylmethyl)- 1,3- dimethyl- 5- {[(1S,5R)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]methyl}pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: O=C1N(C)C(=O)C(C(=O)N1C)(CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cc1ccc2c3c1cccc3CC2

STL524682
Synonyms: (10R,13S,17S)- 3'- (iodoacetyl)- 2',2',10,13- tetramethyl- 1,6,7,8,9,10,11,12,13,14,15,16- dodecahydrospiro[cyclopenta[a]phenanthrene- 17,5'- [1,3]oxazolidin]- 3(2H)- one
Smiles: ICC(=O)N1C[C@]2(OC1(C)C)CCC1[C@]2(C)CCC2C1CCC1=CC(=O)CC[C@]21C

STL524683
Synonyms: methylN- {2- [(4- methyl- 2- oxo- 2H- chromen- 7- yl)oxy]propanoyl}- D- leucinate
Smiles: COC(=O)[C@H](NC(=O)C(Oc1ccc2c(c1)oc(=O)cc2C)C)CC(C)C

STL524684
Synonyms: (8xi,9xi,14xi)- 3- oxoandrosta- 1,4- dien- 17- ylpropanoate
Smiles: CCC(=O)OC1CCC2[C@]1(C)CCC1C2CCC2=CC(=O)C=C[C@]12C

STL524685
Synonyms: (11aS)- 5- (4- fluorophenyl)- 2- (prop- 2- en- 1- yl)- 3- thioxo- 2,3,5,6,11,11a- hexahydro- 1H- imidazo[1',5':1,6]pyrido[3,4- b]indol- 1- one
Smiles: C=CCN1C(=S)N2[C@H](C1=O)Cc1c(C2c2ccc(cc2)F)[nH]c2c1cccc2

STL524686
Synonyms: (8xi,9xi,14xi,17xi)- 3- {[2,6- dideoxy- 3,4- O- (1- methylethylidene)- beta- D- glycero- hexopyranosyl]oxy}- 5,14- dihydroxy- 19- oxocard- 20(22)- enolide
Smiles: O=C[C@@]12CCC(CC2(O)CCC2C1CC[C@]1(C2(O)CCC1C1=CC(=O)OC1)C)O[C@@H]1O[C@H](C)C2C(C1)OC(O2)(C)C

STL524687
Synonyms: (5alpha,8xi,9xi,14xi)- 16- methyl- 20- oxopregn- 16- en- 3- ylacetate
Smiles: CC(=O)OC1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CC(=C2C(=O)C)C)C)C

STL524688
Synonyms: 1- [(1S)- 6- hydroxy- 7- methoxy- 1- methyl- 3,4- dihydroisoquinolin- 2(1H)- yl]- 2- (morpholin- 4- yl)ethanone
Smiles: COc1cc2c(cc1O)CCN([C@H]2C)C(=O)CN1CCOCC1

STL524689
Synonyms: (8xi,9xi,14xi)- 3- hydroxy- 16- methylpregna- 5,16- dien- 20- one
Smiles: OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3CC(=C2C(=O)C)C)C)C1)C

STL524690
Synonyms: (8xi,9xi,14xi)- 3,20- dioxopregna- 1,4- diene- 11,17,21- triyltriacetate
Smiles: CC(=O)OC1C[C@@]2(C)C(C3C1[C@@]1(C)C=CC(=O)C=C1CC3)CC[C@]2(OC(=O)C)C(=O)COC(=O)C

STL524691
Synonyms: (5R)- 3- [(1E)- 3- (4- bromophenyl)- 3- oxoprop- 1- en- 1- yl]- 1,2,3,4,5,6- hexahydro- 8H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 8- one
Smiles: Brc1ccc(cc1)C(=O)/C=C/N1C[C@H]2CC(C1)c1n(C2)c(=O)ccc1

STL524692
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CN1C[C@H]3C[C@@H](C1)c1n(C3)c(=O)ccc1)C=C1[C@](C2)(C)CCC[C@@H]1C

STL524693
Synonyms: N- [(2R)- 2- hydroxy- 2- phenylethyl]benzamide
Smiles: O[C@H](c1ccccc1)CNC(=O)c1ccccc1

STL524694
Synonyms: (5E)- 5- (4- methylbenzylidene)- 3- {3- oxo- 3- [(5R)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]propyl}- 1,3- thiazolidine- 2,4- dione
Smiles: Cc1ccc(cc1)/C=C\1/SC(=O)N(C1=O)CCC(=O)N1C[C@H]2CC(C1)c1n(C2)c(=O)ccc1

STL524695
Synonyms: (4aS,6aR,10aS,11aS)- 4a,6a- dimethyl- 9- oxooctadecahydro- 1H- 7,11a- ethanonaphtho[1',2':7,8]chromeno[2,3- b]pyrrol- 2- yl2,6- dideoxyhexopyranosyl- (1- >4)- 2,6- dideoxyhexopyranosyl- (1- >4)- 2,6- dideoxyhexopyranos
Smiles: O=C1CC2[C@@H](N1)O[C@@]13[C@](C2CC1)(C)CCC1C3CCC2[C@]1(C)CCC(C2)OC1CC(O)C(C(O1)C)OC1CC(O)C(C(O1)C)OC1CC(O)C(C(O1)C)O

STL524696
Synonyms: 2,3,6- tri- O- acetyl- N- (thioxomethylidene)- 4- O- (2,3,4- tri- O- acetyl- alpha- D- xylopyranosyl)- alpha- D- glucopyranosylamine
Smiles: S=C=N[C@H]1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)O[C@H]1OC[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C

STL524697
Synonyms: (8xi,9xi,14xi,16xi,17xi)- 26- (acetylamino)furosta- 5,20(22)- dien- 3- ylacetate
Smiles: CC(CCC1=C(C)C2C(O1)CC1[C@]2(C)CCC2C1CC=C1[C@]2(C)CCC(C1)OC(=O)C)CNC(=O)C

STL524698
Synonyms: 4- acetyl- 11- methyl- 3,4,5,6,7,8- hexahydro- 1,5- methano- 1,4- benzodiazacycloundecine- 9,14(2H)- dione
Smiles: Cc1ccc2c(c1)C(=O)CCCC1C(=O)N2CCN1C(=O)C

STL524699
Synonyms: N,O- bis(tert- butoxycarbonyl)tyrosyl- L- alanylglycylprolinamide
Smiles: O=C(OC(C)(C)C)NC(C(=O)N[C@H](C(=O)NCC(=O)N1CCCC1C(=O)N)C)Cc1ccc(cc1)OC(=O)OC(C)(C)C

STL524700
Synonyms: N- {(7S)- 1,2,3- trimethoxy- 9- oxo- 10- [(pyridin- 4- ylmethyl)amino]- 5,6,7,9- tetrahydrobenzo[a]heptalen- 7- yl}acetamide
Smiles: COc1cc2CC[C@@H](c3c(c2c(c1OC)OC)ccc(c(=O)c3)NCc1ccncc1)NC(=O)C

STL524701
Synonyms: (2R,2'R,5'R,6'S,8a'S)- 5,5'- bis(hydroxymethyl)- 2',5,5',8a'- tetramethyldecahydro- 2'H,3H- spiro[furan- 2,1'- naphthalen]- 6'- ol
Smiles: OCC1(C)CC[C@@]2(O1)[C@H](C)CCC1[C@]2(C)CC[C@@H]([C@@]1(C)CO)O

STL524702
Synonyms: (7S)- 10- [(4- fluorobenzyl)amino]- 1,2,3- trimethoxy- 7- (methylamino)- 6,7- dihydrobenzo[a]heptalen- 9(5H)- one
Smiles: CN[C@H]1CCc2c(c3c1cc(=O)c(cc3)NCc1ccc(cc1)F)c(OC)c(c(c2)OC)OC

STL524703
Synonyms: 5- (2,6- dichlorobenzyl)- 1,3- dimethyl- 5- {[(5R)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]methyl}- 2- thioxodihydropyrimidine- 4,6(1H,5H)- dione
Smiles: S=C1N(C)C(=O)C(C(=O)N1C)(CN1C[C@H]2CC(C1)c1n(C2)c(=O)ccc1)Cc1c(Cl)cccc1Cl

STL524704
Synonyms: (9aR)- 9,9,9a- trimethyl- 1- (prop- 2- en- 1- yl)- 9,9a- dihydro- 1H- imidazo[1,2- a]indol- 2(3H)- one
Smiles: C=CCN1C(=O)CN2[C@@]1(C)C(C)(C)c1c2cccc1

STL524705
Synonyms: 6- hydroxy- 5- (4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 5- yl)- 1,3- dimethylpyrimidine- 2,4(1H,3H)- dione
Smiles: COc1c2OCOc2cc2c1C(N(CC2)C)c1c(O)n(C)c(=O)n(c1=O)C

STL524706
Synonyms: 1- [(3aS)- 8- methyl- 1,2,3a,4,5,6- hexahydro- 3H- pyrazino[3,2,1- jk]carbazol- 3- yl]ethanone
Smiles: Cc1ccc2c(c1)c1CCC[C@H]3c1n2CCN3C(=O)C

STL524707
Synonyms: (6alpha,8xi,9xi,14xi)- 17- hydroxy- 6- methylpregn- 4- ene- 3,20- dione
Smiles: O=C1CC[C@]2(C(=C1)[C@@H](C)CC1C2CC[C@]2(C1CC[C@]2(O)C(=O)C)C)C

STL524708
Synonyms: 1,3- dimethyl- 5- [(8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl)methyl]- 2- thioxo- 5- (2,3,4- trimethoxybenzyl)dihydropyrimidine- 4,6(1H,5H)- dione
Smiles: COc1ccc(c(c1OC)OC)CC1(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)C(=O)N(C)C(=S)N(C1=O)C

STL524709
Synonyms: (2R,5R)- 2- [(4- methylphenyl)sulfanyl]- 6,8- dioxabicyclo[3.2.1]octan- 4- one(non- preferredname)
Smiles: O=C1C[C@@H](Sc2ccc(cc2)C)C2O[C@H]1OC2

STL524710
Synonyms: methylN- [(benzyloxy)carbonyl]- L- valyl- N~5~- (N- nitrocarbamimidoyl)- L- ornithinate
Smiles: COC(=O)[C@@H](NC(=O)[C@@H](C(C)C)NC(=O)OCc1ccccc1)CCCNC(=N)N[N+](=O)[O-]

STL524711
Synonyms: [(2R)- 2- (hydroxymethyl)pyrrolidin- 1- yl](2- methoxyphenyl)methanone
Smiles: OC[C@H]1CCCN1C(=O)c1ccccc1OC

STL524712
Synonyms: 2- methyl- 4- oxo- 3- phenoxy- 4H- chromen- 7- ylN- (tert- butoxycarbonyl)- D- leucinate
Smiles: CC(C[C@H](C(=O)Oc1ccc2c(c1)oc(c(c2=O)Oc1ccccc1)C)NC(=O)OC(C)(C)C)C

STL524713
Synonyms: (5alpha,8xi,9xi,14xi,16alpha)- 16,17- dihydroxy- 20- oxopregnan- 3- ylacetate
Smiles: CC(=O)OC1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1C[C@H]([C@]2(O)C(=O)C)O)C)C

STL524714
Synonyms: (11bS,12S)- 12- methyl- 3,4,6,7,11b,12- hexahydro- 1H- isoquino[2,1- a]quinoline- 1,13(2H)- dione
Smiles: C[C@@H]1C(=O)C2=C(N3[C@@H]1c1ccccc1CC3)CCCC2=O

STL524715
Synonyms: (3S,10R,13R)- 10,13- dimethyl- 17- octyl- 2,3,4,7,8,9,10,11,12,13,14,15,16,17- tetradecahydro- 1H- cyclopenta[a]phenanthren- 3- ylhexadecanoate(non- preferredname)
Smiles: CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C(=CCC3C2CC[C@]2(C3CCC2CCCCCCCC)C)C1)C

STL524716
Synonyms: (3alpha,5alpha,8xi,9xi,14xi,17xi)- 11- oxopregnane- 3,20- diyldiacetate
Smiles: CC(=O)O[C@@H]1CC[C@]2([C@H](C1)CCC1C2C(=O)C[C@]2(C1CCC2C(OC(=O)C)C)C)C

STL524717
Synonyms: [(3aS)- 8- methyl- 1,2,3a,4,5,6- hexahydro- 3H- pyrazino[3,2,1- jk]carbazol- 3- yl](phenyl)methanone
Smiles: Cc1ccc2c(c1)c1CCC[C@H]3c1n2CCN3C(=O)c1ccccc1

STL524718
Synonyms: 4- oxo- 4- [(1R,5R)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]- N- [2- (phenylsulfanyl)ethyl]butanamide
Smiles: O=C(CCC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)NCCSc1ccccc1

STL524719
Synonyms: 2- ({[(3Z,8xi,9xi,14xi)- 17- hydroxypregn- 4- en- 20- yn- 3- ylidene]amino}oxy)- N- [(3R)- 2- oxoazepan- 3- yl]acetamide
Smiles: C#C[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=C/C(=N\OCC(=O)N[C@@H]3CCCCNC3=O)/CC[C@]12C

STL524720
Synonyms: (8xi,9xi,14xi)- 3,20- dioxopregn- 4- ene- 11,17,21- triyltriacetate
Smiles: CC(=O)OC1C[C@@]2(C)C(C3C1[C@@]1(C)CCC(=O)C=C1CC3)CC[C@]2(OC(=O)C)C(=O)COC(=O)C

STL524721
Synonyms: (2'S)- 1- methyl- 2'- phenylspiro[indole- 3,3'- pyrrolidin]- 2(1H)- one
Smiles: CN1c2ccccc2C2(C1=O)CCN[C@H]2c1ccccc1

STL524722
Synonyms: (8xi,9xi,14xi,16xi,17xi)- 26- (acetylamino)furosta- 5,20(22)- dien- 3- ylhexanoate
Smiles: CCCCCC(=O)OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3CC3C2C(=C(O3)CCC(CNC(=O)C)C)C)C)C1)C

STL524723
Synonyms: S- [(3S,10R,13R)- 10,13- dimethyl- 17- octyl- 2,3,4,7,8,9,10,11,12,13,14,15,16,17- tetradecahydro- 1H- cyclopenta[a]phenanthren- 3- yl]2- bromo- 2- methylpropanethioate(non- preferredname)
Smiles: CCCCCCCCC1CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CC[C@@H](C2)SC(=O)C(Br)(C)C

STL524724
Synonyms: (8xi,9xi,14xi,17xi,20xi)- cholesta- 3,5- dien- 3- ylacetate
Smiles: CC(CCCC(C1CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CCC(=C2)OC(=O)C)C)C

STL524725
Synonyms: 5- [2- (methylsulfanyl)ethyl]imidazolidine- 2,4- dione
Smiles: CSCCC1NC(=O)NC1=O

STL524726
Synonyms: (5beta,8xi,9xi,11alpha,14xi,17xi)- 3,20- dioxopregnan- 11- ylacetate
Smiles: O=C1CC[C@]2([C@@H](C1)CCC1C2[C@H](OC(=O)C)C[C@]2(C1CCC2C(=O)C)C)C

STL524727
Synonyms: 6- ethyl- 3- (4- methyl- 1,3- thiazol- 2- yl)- 4- oxo- 4H- chromen- 7- ylN- (tert- butoxycarbonyl)- D- alaninate
Smiles: CCc1cc2c(cc1OC(=O)[C@H](NC(=O)OC(C)(C)C)C)occ(c2=O)c1scc(n1)C

STL524728
Synonyms: (5S,10S,13S)- 10,13- dimethylhexadecahydrospiro[cyclopenta[a]phenanthrene- 17,2'- [1,3]dioxolan]- 3- ylacetate
Smiles: CC(=O)OC1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CCC12OCCO1)C)C

STL524729
Synonyms:
Smiles: CC1CCCN(C1)CC1C(=O)O[C@H]2[C@@H]1C[C@H]1C(=C)CCC[C@@]1(C2)C

STL524730
Synonyms: (2S)- 8- (3- methylbut- 2- en- 1- yl)- 4- oxo- 2- phenyl- 3,4- dihydro- 2H- chromene- 5,7- diyldiacetate
Smiles: CC(=CCc1c(OC(=O)C)cc(c2c1O[C@@H](CC2=O)c1ccccc1)OC(=O)C)C

STL524731
Synonyms: (3aR,3bR,4aR,5aS)- 1- acetyl- 3,4,4- trimethyl- 1,3a,3b,4,4a,5- hexahydro- 5aH- cyclopropa[3,4]cyclopenta[1,2- c]pyrazol- 5a- ylacetate
Smiles: CC(=O)O[C@]12C[C@@H]3[C@H]([C@@H]2C(=NN1C(=O)C)C)C3(C)C

STL524732
Synonyms: 4- methyl- 2- oxo- 3- propyl- 2H- chromen- 7- ylN- [(4- methylphenyl)sulfonyl]- D- valinate
Smiles: CCCc1c(=O)oc2c(c1C)ccc(c2)OC(=O)[C@@H](C(C)C)NS(=O)(=O)c1ccc(cc1)C

STL524733
Synonyms: 6- hydroxy- 2- phenyl- 3- thioxohexahydro- 1H- pyrrolo[1,2- c]imidazol- 1- one
Smiles: OC1CN2C(C1)C(=O)N(C2=S)c1ccccc1

STL524734
Synonyms: (3S,10R,13R)- 10,13- dimethyl- 17- octyl- 2,3,4,7,8,9,10,11,12,13,14,15,16,17- tetradecahydro- 1H- cyclopenta[a]phenanthren- 3- yl2- bromo- 2- methylpropanoate(non- preferredname)
Smiles: CCCCCCCCC1CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CC[C@@H](C2)OC(=O)C(Br)(C)C

STL524735
Synonyms: methyl3- [(1R,5S)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]propanoate
Smiles: COC(=O)CCN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

STL524736
Synonyms: 1- {[4- (propan- 2- yloxy)phenyl]carbonyl}proline
Smiles: CC(Oc1ccc(cc1)C(=O)N1CCCC1C(=O)O)C

STL524737
Synonyms: (4aR,6aS,13aS)- 6b- acetyl- 13a- hydroxy- 4a,6a,13- trimethylicosahydro- 2H- indeno[2,1- a]phenanthren- 2- one
Smiles: O=C1CC[C@]2([C@@](C1)(O)C(C)CC1C2CC[C@]2(C1CC1C2(CCCC1)C(=O)C)C)C

STL524738
Synonyms: methylN- {[(2- methyl- 4- oxo- 3- phenoxy- 4H- chromen- 7- yl)oxy]acetyl}- D- methioninate
Smiles: CSCC[C@H](C(=O)OC)NC(=O)COc1ccc2c(c1)oc(c(c2=O)Oc1ccccc1)C

STL524739
Synonyms: N'- [(E)- {4- methoxy- 3- [(pyridin- 2- yloxy)methyl]phenyl}methylidene]- 2- [2- (pyridin- 3- yl)piperidin- 1- yl]acetohydrazide
Smiles: COc1ccc(cc1COc1ccccn1)/C=N/NC(=O)CN1CCCCC1c1cccnc1

STL524740
Synonyms: 5- (4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium- 5- yl)- 3- (4- methoxyphenyl)- 2,6- dioxo- 1,2,3,6- tetrahydropyrimidin- 4- olate
Smiles: COc1ccc(cc1)n1c(=O)[nH]c(=O)c(c1[O-])C1[NH+](C)CCc2c1c(OC)c1c(c2)OCO1

STL524741
Synonyms: N'- (4,5- dimethoxy- 3- oxo- 1,3- dihydro- 2- benzofuran- 1- yl)benzohydrazide
Smiles: COc1c(OC)ccc2c1C(=O)OC2NNC(=O)c1ccccc1

STL524742
Synonyms: {(2''R,5'R,5''R,6''S,8a''S)- 2'',5'',8a''- trimethyl- 5- oxo- 6''- [(phenylcarbonyl)oxy]dodecahydro- 2''H- dispiro[furan- 3,2'- furan- 5',1''- naphthalen]- 5''- yl}methylbenzoate
Smiles: O=C1OCC2(C1)CC[C@@]1(O2)[C@H](C)CCC2[C@]1(C)CC[C@@H]([C@@]2(C)COC(=O)c1ccccc1)OC(=O)c1ccccc1

STL524743
Synonyms: (1S,5S)- 3- (2- hydroxy- 3- phenoxypropyl)- 1,2,3,4,5,6- hexahydro- 8H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 8- one
Smiles: OC(CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)COc1ccccc1

STL524744
Synonyms: (8xi,9xi,14xi,17xi,20xi,24xi)- stigmast- 5- ene- 3,19- diol
Smiles: CCC(C(C)C)CCC(C1CCC2[C@]1(C)CCC1C2CC=C2[C@]1(CO)CCC(C2)O)C

STL524745
Synonyms: dimethyl2,2- dimethyl- 4,6- dioxocyclohexane- 1,3- dicarboxylate
Smiles: COC(=O)C1C(=O)CC(=O)C(C1(C)C)C(=O)OC

STL524746
Synonyms: (4aR,6aS,8Z)- 8- [5- (acetylamino)- 4- iodopentan- 2- ylidene]- 4a,6a,7- trimethyl- 2,3,4,4a,4b,5,6,6a,6b,7,8,9a,10,10a,10b,11- hexadecahydro- 1H- naphtho[2',1':4,5]indeno[2,1- b]furan- 2- ylacetate(non- preferredn
Smiles: IC(C/C(=C/1\OC2C(C1C)[C@@]1(C(C2)C2CC=C3[C@](C2CC1)(C)CCC(C3)OC(=O)C)C)/C)CNC(=O)C

STL524747
Synonyms: 1- deoxy- 1- [(3,4- dimethylphenyl)amino]pentitol
Smiles: OCC(C(C(CNc1ccc(c(c1)C)C)O)O)O

STL524748
Synonyms: 5- (3,5- dibromo- 2- methoxybenzyl)- 1,3- dimethyl- 5- {[(5R)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]methyl}- 2- thioxodihydropyrimidine- 4,6(1H,5H)- dione
Smiles: COc1c(Br)cc(cc1CC1(CN2C[C@H]3CC(C2)c2n(C3)c(=O)ccc2)C(=O)N(C)C(=S)N(C1=O)C)Br

STL524749
Synonyms: ethyl2- {[3- (3- methoxyphenoxy)- 2- methyl- 4- oxo- 4H- chromen- 7- yl]oxy}propanoate
Smiles: CCOC(=O)C(Oc1ccc2c(c1)oc(c(c2=O)Oc1cccc(c1)OC)C)C

STL524750
Synonyms: (5R)- 3- [2- (1H- indol- 3- yl)- 2- oxoethyl]- 1,2,3,4,5,6- hexahydro- 8H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 8- one
Smiles: O=C(c1c[nH]c2c1cccc2)CN1C[C@H]2CC(C1)c1n(C2)c(=O)ccc1

STL524751
Synonyms: (1aR,5aR,7aS,11aR,13aS)- 7b- acetyl- 5a,7a- dimethylicosahydroindeno[2',1':1,2]phenanthro[8a,9- b]oxiren- 3- ylacetate
Smiles: CC(=O)OC1CC[C@]2([C@@]3(C1)O[C@H]3CC1C2CC[C@]2(C1C[C@@H]1C2(CCCC1)C(=O)C)C)C

STL524752
Synonyms: N- (4- nitrophenyl)- L- arabinopyranosylamine
Smiles: O[C@H]1C(OC[C@@H]([C@@H]1O)O)Nc1ccc(cc1)[N+](=O)[O-]

STL524753
Synonyms: 3- [(3,4,5- trimethoxyphenyl)acetyl]- 1,2,3,4,5,6- hexahydro- 8H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 8- one
Smiles: COc1c(OC)cc(cc1OC)CC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

STL524754
Synonyms: (5alpha,8xi,14xi,16xi,17xi)- 12- oxospirost- 9(11)- en- 3- ylpropanoate
Smiles: CCC(=O)OC1CC[C@]2([C@H](C1)CCC1C2=CC(=O)[C@]2(C1CC1C2[C@H](C)[C@]2(O1)CCC(CO2)C)C)C

STL524755
Synonyms: methylN- {2- [(2- oxo- 4- phenyl- 2H- chromen- 7- yl)oxy]propanoyl}- D- isoleucinate
Smiles: CCC([C@H](C(=O)OC)NC(=O)C(Oc1ccc2c(c1)oc(=O)cc2c1ccccc1)C)C

STL524756
Synonyms: 2- amino- 8- (4- methylpiperazin- 1- yl)- 9- pentofuranosyl- 1,9- dihydro- 6H- purin- 6- one
Smiles: OCC1OC(C(C1O)O)n1c(nc2c1nc(N)[nH]c2=O)N1CCN(CC1)C

STL524757
Synonyms: 4- hydroxy- 1- (4- oxo- 4- {[(8xi,9xi,14xi)- 3- oxoandrost- 4- en- 17- yl]oxy}butanoyl)proline
Smiles: OC1CN(C(C1)C(=O)O)C(=O)CCC(=O)OC1CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C

STL524758
Synonyms: (10aS)- 8,10,10- trimethyl- 10a- [(E)- 2- phenylethenyl]- 3,4,10,10a- tetrahydropyrimido[1,2- a]indol- 2(1H)- one
Smiles: O=C1CCN2[C@@](N1)(/C=C/c1ccccc1)C(C)(C)c1c2ccc(c1)C

STL524759
Synonyms: ethyl5- {(2R,3R,4S)- 3,4- bis[(methoxycarbonyl)amino]tetrahydrothiophen- 2- yl}pentanoate
Smiles: CCOC(=O)CCCC[C@H]1SC[C@H]([C@H]1NC(=O)OC)NC(=O)OC

STL524760
Synonyms: methyl4- hydroxy- 1- (4- oxo- 4- {[(8xi,9xi,14xi)- 3- oxoandrost- 4- en- 17- yl]oxy}butanoyl)prolinate
Smiles: COC(=O)C1CC(CN1C(=O)CCC(=O)OC1CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)O

STL524761
Synonyms: ({[(3E,8xi,9xi,14xi)- 17- hydroxypregn- 4- en- 20- yn- 3- ylidene]amino}oxy)aceticacid
Smiles: C#C[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=C/C(=N/OCC(=O)O)/CC[C@]12C

STL524762
Synonyms: methylN- {[(4- methyl- 2- oxo- 2H- chromen- 7- yl)oxy]acetyl}- D- phenylalaninate
Smiles: COC(=O)[C@@H](Cc1ccccc1)NC(=O)COc1ccc2c(c1)oc(=O)cc2C

STL524763
Synonyms: methylN- {[(4- methyl- 2- oxo- 2H- chromen- 7- yl)oxy]acetyl}- D- methioninate
Smiles: CSCC[C@H](C(=O)OC)NC(=O)COc1ccc2c(c1)oc(=O)cc2C

STL524764
Synonyms: (8xi,9xi,14xi,17beta)- 16- bromo- 17- hydroxy- 3- oxoandrost- 4- en- 17- ylacetate
Smiles: O=C1CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC([C@]2(O)OC(=O)C)Br)C)C

STL524765
Synonyms: (8xi,9xi,14xi,17xi)- 3,20- dioxopregn- 4- en- 21- yl3- phenylpropanoate
Smiles: O=C(CCc1ccccc1)OCC(=O)C1CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C

STL524766
Synonyms: 7- (4- methoxyphenyl)- 5- phenyl- 1,2,3,4,4a,5- hexahydro- 13H- benzimidazo[2,1- j]quinoline
Smiles: COc1ccc(cc1)C1=CC(c2ccccc2)C2C3(N1c1ccccc1N3)CCCC2

STL524767
Synonyms: 4- hydroxy- 3- [2- (4- hydroxy- 3- methoxyphenyl)- 2,3- dihydro- 1,5- benzothiazepin- 4- yl]- 6- methyl- 2H- pyran- 2- one
Smiles: COc1cc(ccc1O)C1Sc2ccccc2N=C(C1)c1c(O)cc(oc1=O)C

STL524768
Synonyms:
Smiles: CN(CC([C@H]1CCOC(C1)(C)C)O)C

STL524769
Synonyms: (3S,10R,13R)- 10,13- dimethyl- 17- octyl- 2,3,4,7,8,9,10,11,12,13,14,15,16,17- tetradecahydro- 1H- cyclopenta[a]phenanthren- 3- ylhexylcarbonate(non- preferredname)
Smiles: CCCCCCCCC1CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CC[C@@H](C2)OC(=O)OCCCCCC

STL524770
Synonyms: (8xi,14xi,17xi)- 3,5,14- trihydroxy- 19- (nitrooxy)card- 20(22)- enolide
Smiles: OC1CC[C@]2(C(C1)(O)CCC1[C@@H]2CC[C@]2(C1(O)CCC2C1=CC(=O)OC1)C)CO[N+](=O)[O-]

STL524771
Synonyms: (5alpha,8xi,9xi,14xi,16alpha)- 3,17- dihydroxy- 16- methyl- 20- oxopregnan- 21- ylacetate
Smiles: OC1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1C[C@H]([C@]2(O)C(=O)COC(=O)C)C)C)C

STL524772
Synonyms: (8xi,9xi,14xi)- 3- oxoandrost- 4- en- 17- ylacetate
Smiles: CC(=O)OC1CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C

STL524773
Synonyms: 1- (8- methyl- 1,2,3a,4,5,6- hexahydro- 3H- pyrazino[3,2,1- jk]carbazol- 3- yl)propan- 2- one
Smiles: CC(=O)CN1CCn2c3C1CCCc3c1c2ccc(c1)C

STL524774
Synonyms: 4- hydroxy- 3- [7- (3- hydroxyphenyl)- 2,3,6,7- tetrahydro- 1,4- thiazepin- 5- yl]- 6- methyl- 2H- pyran- 2- one
Smiles: Oc1cccc(c1)C1SCCN=C(C1)c1c(O)cc(oc1=O)C

STL524775
Synonyms: 8- (3- amino- 3- oxopropyl)- 5- (2- tert- butoxy- 2- oxoethyl)- 11- (3- tert- butoxy- 3- oxopropyl)- 3,6,9- trioxo- 1- phenyl- 2- oxa- 4,7,10- triazadodecan- 12- oicacid(non- preferredname)
Smiles: NC(=O)CCC(C(=O)NC(C(=O)O)CCC(=O)OC(C)(C)C)NC(=O)C(CC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1

STL524776
Synonyms: (8xi,9xi,14xi,17xi,20xi)- 3- hydroxycholest- 5- en- 19- al
Smiles: O=C[C@]12CCC(CC1=CCC1C2CC[C@]2(C1CCC2C(CCCC(C)C)C)C)O

STL524777
Synonyms: 3- [(4,5- dimethoxy- 3- oxo- 1,3- dihydro- 2- benzofuran- 1- yl)amino]- N- (4- methoxyphenyl)pyrazine- 2- carboxamide
Smiles: COc1ccc(cc1)NC(=O)c1nccnc1NC1OC(=O)c2c1ccc(c2OC)OC

STL524778
Synonyms: 8- ethyl- 8- methyl- 2- [4- (piperidin- 1- yl)but- 2- yn- 1- yl]- 9- oxa- 2- azaspiro[5.5]undecane
Smiles: CCC1(C)OCCC2(C1)CCCN(C2)CC#CCN1CCCCC1

STL524779
Synonyms: (1R,9aR)- octahydro- 2H- quinolizin- 1- ylmethylprop- 2- enoate
Smiles: C=CC(=O)OC[C@@H]1CCCN2[C@@H]1CCCC2

STL524780
Synonyms: (2E)- 1- (4- bromophenyl)- 3- [(1S)- 6- hydroxy- 7- methoxy- 1- methyl- 3,4- dihydroisoquinolin- 2(1H)- yl]prop- 2- en- 1- one
Smiles: COc1cc2c(cc1O)CCN([C@H]2C)/C=C/C(=O)c1ccc(cc1)Br

STL524781
Synonyms: 4- (2- methoxyphenyl)- 1,7,7- trimethyl- 4,6,7,8- tetrahydroquinoline- 2,5(1H,3H)- dione
Smiles: COc1ccccc1C1CC(=O)N(C2=C1C(=O)CC(C2)(C)C)C

STL524782
Synonyms: (8xi,9xi,14xi)- 17- (phenylcarbonyl)androsta- 5,16- dien- 3- ylacetate
Smiles: CC(=O)OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3CC=C2C(=O)c2ccccc2)C)C1)C

STL524783
Synonyms: (7S)- 1,2,3- trimethoxy- 7- (methylamino)- 10- [(2- methylpropyl)amino]- 6,7- dihydrobenzo[a]heptalen- 9(5H)- one
Smiles: CN[C@H]1CCc2c(c3c1cc(=O)c(cc3)NCC(C)C)c(OC)c(c(c2)OC)OC

STL524784
Synonyms: 5- (4,5- dimethoxy- 3- oxo- 1,3- dihydro- 2- benzofuran- 1- yl)- 1,3- dimethylpyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: COc1c(OC)ccc2c1C(=O)OC2C1C(=O)N(C)C(=O)N(C1=O)C

STL524785
Synonyms: N'- [(E)- 1,3- benzodioxol- 5- ylmethylidene]- 4- [5- (4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 5- yl)- 1H- tetrazol- 1- yl]benzohydrazide
Smiles: COc1c2c(CCN(C2c2nnnn2c2ccc(cc2)C(=O)N/N=C/c2ccc3c(c2)OCO3)C)cc2c1OCO2

STL524786
Synonyms: (8xi,9xi,14xi)- 11,17- dihydroxy- 3,20- dioxopregn- 4- en- 21- ylbenzoate
Smiles: O=C1CC[C@]2(C(=C1)CCC1C2C(O)C[C@]2(C1CC[C@]2(O)C(=O)COC(=O)c1ccccc1)C)C

STL524787
Synonyms: N- [(5alpha,8xi,9xi,14xi)- 3- hydroxyandrostan- 17- yl]- 2- (morpholin- 4- yl)acetamide
Smiles: OC1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CCC2NC(=O)CN1CCOCC1)C)C

STL524788
Synonyms: 4- hydroxy- 3- [2- (3- methoxyphenyl)- 2,3- dihydro- 1,5- benzothiazepin- 4- yl]- 6- methyl- 2H- pyran- 2- one
Smiles: COc1cccc(c1)C1Sc2ccccc2N=C(C1)c1c(O)cc(oc1=O)C

STL524789
Synonyms: 4- oxo- 4- [(1S,5R)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]- N- [3- (trifluoromethyl)benzyl]butanamide
Smiles: O=C(CCC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)NCc1cccc(c1)C(F)(F)F

STL524790
Synonyms: 6- (benzyloxy)- 1- {3- [(2,6- dimethylphenoxy)methyl]- 4- methoxyphenyl}- 2,3,4,9- tetrahydro- 1H- beta- carboline
Smiles: COc1ccc(cc1COc1c(C)cccc1C)C1NCCc2c1[nH]c1c2cc(cc1)OCc1ccccc1

STL524791
Synonyms: 2,4- bis(3,4- dimethoxyphenyl)- 4- oxobutanenitrile
Smiles: N#CC(c1ccc(c(c1)OC)OC)CC(=O)c1ccc(c(c1)OC)OC

STL524792
Synonyms: methylN- {[(4- oxo- 3- phenyl- 4H- chromen- 7- yl)oxy]acetyl}- D- alaninate
Smiles: COC(=O)[C@H](NC(=O)COc1ccc2c(c1)occ(c2=O)c1ccccc1)C

STL524793
Synonyms: (5alpha,8xi,9xi,14xi,17xi)- 3,20- dioxopregnan- 21- ylacetate
Smiles: O=C1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CCC2C(=O)COC(=O)C)C)C

STL524794
Synonyms: 2- {[(1S,2S)- 1- hydroxy- 1- phenylpropan- 2- yl](methyl)amino}- 1- (morpholin- 4- yl)ethanone
Smiles: C[C@@H]([C@H](c1ccccc1)O)N(CC(=O)N1CCOCC1)C

STL524795
Synonyms: (8xi,9xi,14xi,17xi,20xi)- 26- (acetylamino)- 16,22- dioxocholest- 5- en- 3- ylacetate
Smiles: CC(CCC(=O)C(C1C(=O)CC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CCC(C2)OC(=O)C)C)CNC(=O)C

STL524796
Synonyms: (7R)- 10- {[3- (1H- imidazol- 1- yl)propyl]amino}- 1,2,3- trimethoxy- 7- (methylamino)- 6,7- dihydrobenzo[a]heptalen- 9(5H)- one
Smiles: CN[C@@H]1CCc2c(c3c1cc(=O)c(cc3)NCCCn1cncc1)c(OC)c(c(c2)OC)OC

STL524797
Synonyms: 2- ({[(3Z,8xi,9xi,14xi,17alpha)- 17- hydroxyandrost- 4- en- 3- ylidene]amino}oxy)- N- [2- (4- hydroxyphenyl)ethyl]acetamide
Smiles: O=C(CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@H]2O)C)C)NCCc1ccc(cc1)O

STL524798
Synonyms: (11bS)- 9,10- dimethoxy- 3,3- dimethyl- 3,4,6,7,11b,12- hexahydro- 1H- isoquino[2,1- a]quinoline- 1,13(2H)- dione
Smiles: COc1cc2c(cc1OC)CCN1[C@H]2CC(=O)C2=C1CC(CC2=O)(C)C

STL524800
Synonyms: 2- aminononanoicacid
Smiles: CCCCCCCC(C(=O)O)N

STL524801
Synonyms: 1- [3- (trifluoromethyl)phenyl]- 2,3,4,9- tetrahydro- 1H- beta- carboline- 3- carboxylicacid
Smiles: OC(=O)C1NC(c2cccc(c2)C(F)(F)F)c2c(C1)c1ccccc1[nH]2

STL524802
Synonyms: (1R,5R)- 3- {3- [(5Z)- 4- oxo- 2- thioxo- 5- (3,4,5- trimethoxybenzylidene)- 1,3- thiazolidin- 3- yl]propanoyl}- 1,2,3,4,5,6- hexahydro- 8H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 8- one
Smiles: COc1c(OC)cc(cc1OC)/C=C/1\SC(=S)N(C1=O)CCC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

STL524803
Synonyms: (8xi,9xi,14xi,16alpha,17alpha)- 16,17- dihydroxy- 3- oxoandrost- 4- ene- 17- carbonitrile
Smiles: N#C[C@@]1(O)[C@H](O)CC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C

STL524804
Synonyms: (1S,2Z,5R)- 2- {1- [(2- aminophenyl)amino]ethylidene}- 6,6- dimethylbicyclo[3.1.0]hexan- 3- one
Smiles: C/C(=C\1/C(=O)C[C@@H]2[C@H]1C2(C)C)/Nc1ccccc1N

STL524805
Synonyms: N- {(7S)- 10- [(2,3- dimethoxybenzyl)amino]- 1,2,3- trimethoxy- 9- oxo- 5,6,7,9- tetrahydrobenzo[a]heptalen- 7- yl}acetamide
Smiles: COc1cccc(c1OC)CNc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C

STL524806
Synonyms: N- benzyl- N- methyl- 3- (2,5,5- trimethyl- 3,4,4a,10b- tetrahydro- 2H,5H- pyrano[3,2- c]chromen- 2- yl)prop- 2- yn- 1- amine
Smiles: CN(Cc1ccccc1)CC#CC1(C)CCC2C(O1)c1ccccc1OC2(C)C

STL524807
Synonyms: 5- (2- ethoxybenzyl)- 1,3- dimethyl- 5- {[(5R)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]methyl}- 2- thioxodihydropyrimidine- 4,6(1H,5H)- dione
Smiles: CCOc1ccccc1CC1(CN2C[C@H]3CC(C2)c2n(C3)c(=O)ccc2)C(=O)N(C)C(=S)N(C1=O)C

STL524808
Synonyms: (3beta,8xi,9xi,14xi,16alpha,17xi)- 16- [4- (dimethylamino)phenyl]- 3- hydroxypregn- 5- en- 20- one
Smiles: O[C@H]1CC[C@]2(C(=CCC3C2CC[C@]2(C3C[C@H](C2C(=O)C)c2ccc(cc2)N(C)C)C)C1)C

STL524809
Synonyms: (10b'S)- 6',10b'- dihydro- 2H,5'H,6H- spiro[cyclohexane- 1,1'- pyrrolo[2,1- a]isoquinoline]- 2,3',6(2'H)- trione
Smiles: O=C1CC2(C3N1CCc1c3cccc1)C(=O)CCCC2=O

STL524810
Synonyms: (5alpha,8xi,9xi,14xi,16alpha)- 5- bromo- 6- fluoro- 3- hydroxy- 16,17- dimethylpregnan- 20- one
Smiles: OC1CC[C@]2([C@@](C1)(Br)C(F)CC1C2CC[C@]2(C1C[C@H]([C@]2(C)C(=O)C)C)C)C

STL524811
Synonyms: N- butyl- 2,8- dimethyl- 1,2,3,4,4a,9b- hexahydro- 5H- pyrido[4,3- b]indole- 5- carboxamide
Smiles: CCCCNC(=O)N1c2ccc(cc2C2C1CCN(C2)C)C

STL524812
Synonyms: (3aR,3bR,4aR,5aR)- 3,4,4- trimethyl- 3b,4,4a,5- tetrahydrocyclopropa[4,5]cyclopenta[1,2- d][1,2]oxazol- 5a(3aH)- ylacetate
Smiles: CC(=O)O[C@@]12ON=C([C@H]2[C@H]2[C@@H](C1)C2(C)C)C

STL524813
Synonyms: 3- (tetrahydrofuran- 2- ylmethyl)- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: O=c1n(cnc2c1[nH]c1c2cccc1)CC1CCCO1

STL524814
Synonyms: 2- {4- methyl- 1- oxo- 1- [(1S)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]pentan- 2- yl}- 1H- isoindole- 1,3(2H)- dione
Smiles: CC(CC(N1C(=O)c2c(C1=O)cccc2)C(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)C

STL524815
Synonyms: 1- [3- (2,5,5- trimethyl- 3,4,4a,10b- tetrahydro- 2H,5H- pyrano[3,2- c]chromen- 2- yl)prop- 2- yn- 1- yl]pyrrolidine
Smiles: CC1(C)Oc2ccccc2C2C1CCC(O2)(C)C#CCN1CCCC1

STL524816
Synonyms: methylN- {[(4- oxo- 3- phenoxy- 4H- chromen- 7- yl)oxy]acetyl}- L- isoleucinate
Smiles: CCC([C@@H](C(=O)OC)NC(=O)COc1ccc2c(c1)occ(c2=O)Oc1ccccc1)C

STL524817
Synonyms: (1S,2R,3S,5R)- 5- [(2- carbamoylpyrrolidin- 1- yl)carbonyl]cyclohexane- 1,2,3,5- tetrayltetraacetate
Smiles: CC(=O)O[C@H]1C[C@@](OC(=O)C)(C[C@@H]([C@H]1OC(=O)C)OC(=O)C)C(=O)N1CCCC1C(=O)N

STL524818
Synonyms: (1R,4Z,5S)- 4- (hydroxyimino)- 3,6,6- trimethylbicyclo[3.1.0]hex- 2- ene- 2- carbonitrile
Smiles: O/N=C/1\C(=C([C@@H]2[C@H]1C2(C)C)C#N)C

STL524819
Synonyms: 1- (4- bromophenyl)- 2- [(3aS)- 8- methyl- 1,2,3a,4,5,6- hexahydro- 3H- pyrazino[3,2,1- jk]carbazol- 3- yl]ethanol
Smiles: Brc1ccc(cc1)C(CN1CCn2c3[C@@H]1CCCc3c1c2ccc(c1)C)O

STL524820
Synonyms: methyl4- [(4aS,9bR)- 2,8- dimethyl- 1,2,3,4,4a,9b- hexahydro- 5H- pyrido[4,3- b]indol- 5- yl]- 4- oxobutanoate
Smiles: COC(=O)CCC(=O)N1c2ccc(cc2[C@H]2[C@@H]1CCN(C2)C)C

STL524821
Synonyms: (5xi,9xi,13xi,17xi,18xi,19xi)- lup- 20(29)- ene- 3,28- diyl(2E,2'E)bis[3- (4- methoxyphenyl)prop- 2- enoate]
Smiles: COc1ccc(cc1)/C=C/C(=O)OCC12CCC(C2C2[C@](CC1)(C)[C@]1(C)CCC3[C@](C1CC2)(C)CCC(C3(C)C)OC(=O)/C=C/c1ccc(cc1)OC)C(=C)C

STL524822
Synonyms: (5alpha,6E,8xi,10xi,13xi,17xi,25xi)- 6- (hydroxyimino)cevane- 3,20- diol
Smiles: O/N=C/1\CC2[C@@H]3CCC4C([C@@H]3C[C@@H]2C2([C@@H]1CC(O)CC2)C)CN1[C@H]([C@@]4(C)O)CCC(C1)C

STL524823
Synonyms: 6- (3,5- dimethylphenyl)- 9,10- dimethoxy- 6,6a- dihydroisoindolo[2,1- a]quinazoline- 5,11- dione
Smiles: COc1c(OC)ccc2c1C(=O)N1C2N(c2cc(C)cc(c2)C)C(=O)c2c1cccc2

STL524824
Synonyms: 2- methoxy- 4- (morpholin- 4- ylcarbonyl)phenyl2,3,4,6- tetra- O- acetyl- D- glucopyranoside
Smiles: COc1cc(ccc1OC1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C)C(=O)N1CCOCC1

STL524825
Synonyms: (7S)- 10- {[2- (3,4- dimethoxyphenyl)ethyl]amino}- 1,2,3- trimethoxy- 7- (methylamino)- 6,7- dihydrobenzo[a]heptalen- 9(5H)- one
Smiles: CN[C@H]1CCc2c(c3c1cc(=O)c(cc3)NCCc1ccc(c(c1)OC)OC)c(OC)c(c(c2)OC)OC

STL524826
Synonyms: 2- [(2R)- 2,3,3- trimethylbicyclo[2.2.1]hept- 2- yl]phenol
Smiles: Oc1ccccc1[C@]1(C)C2CCC(C1(C)C)C2

STL524827
Synonyms: 4- methyl- 2- oxo- 2H- chromen- 7- ylN- [(benzyloxy)carbonyl]- D- leucinate
Smiles: CC(C[C@H](C(=O)Oc1ccc2c(c1)oc(=O)cc2C)NC(=O)OCc1ccccc1)C

STL524828
Synonyms: 5- (4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium- 5- yl)- 3- (2- methoxyphenyl)- 2,6- dioxo- 1,2,3,6- tetrahydropyrimidin- 4- olate
Smiles: COc1c2OCOc2cc2c1C([NH+](CC2)C)c1c(=O)[nH]c(=O)n(c1[O-])c1ccccc1OC

STL524829
Synonyms: methylN- (4- {[(8xi,9xi,14xi)- 11,17- dihydroxy- 3,20- dioxopregn- 4- en- 21- yl]oxy}- 4- oxobutanoyl)tryptophanate
Smiles: COC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)CC[C@]12C

STL524830
Synonyms: 5- (4,5- dimethoxy- 3- oxo- 1,3- dihydro- 2- benzofuran- 1- yl)- 1- (4- ethoxyphenyl)- 6- hydroxypyrimidine- 2,4(1H,3H)- dione
Smiles: CCOc1ccc(cc1)n1c(=O)[nH]c(=O)c(c1O)C1OC(=O)c2c1ccc(c2OC)OC

STL524831
Synonyms: 9,10- dimethoxy- 6,6a- dihydroisoindolo[2,1- a]quinazoline- 5,11- dione
Smiles: COc1c(OC)ccc2c1C(=O)N1C2NC(=O)c2c1cccc2

STL524832
Synonyms: (4R)- 2,4,10- trimethyl- 4- phenyl- 5,6- dihydro- 4H- benzo[d]cyclohepta[1,2- b:3,4- b']difuran
Smiles: Cc1ccc2c(c1)c1c(o2)CC[C@](c2c1oc(c2)C)(C)c1ccccc1

STL524833
Synonyms: (8xi,14xi,16alpha)- 9- fluoro- 11,17- dihydroxy- 3,20- dioxopregna- 1,4- diene- 16,21- diyldiacetate
Smiles: CC(=O)O[C@@H]1CC2[C@]([C@@]1(O)C(=O)COC(=O)C)(C)CC([C@]1(C2CCC2=CC(=O)C=C[C@]12C)F)O

STL524834
Synonyms: (3E,5alpha,8xi,9xi,14xi,17E)- N~3~,N~17~- dihydroxyandrostane- 3,17- diimine
Smiles: O/N=C/1\CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CC/C/2=N\O)C)C

STL524835
Synonyms: 5- (3,4- dimethoxybenzyl)- 5- {[(1R,5R)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]methyl}- 1- (prop- 2- en- 1- yl)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: C=CCN1C(=O)NC(=O)C(C1=O)(CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cc1ccc(c(c1)OC)OC

STL524836
Synonyms: methyl1- (4- {[(8xi,9xi,14xi)- 11,17- dihydroxy- 3,20- dioxopregn- 4- en- 21- yl]oxy}- 4- oxobutanoyl)- 4- hydroxyprolinate
Smiles: COC(=O)C1CC(CN1C(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)CC[C@]12C)O

STL524837
Synonyms: 2,3,3a,4,5,6- hexahydro- 1H- pyrazino[3,2,1- jk]carbazol- 8- ylmethanol
Smiles: OCc1ccc2c(c1)c1CCCC3c1n2CCN3

STL524838
Synonyms: (4S)- 2- oxo- 1,3- thiazolidine- 4- carboxylicacid
Smiles: O=C1SC[C@@H](N1)C(=O)O

STL524839
Synonyms: N- {(7S)- 1,2,3- trimethoxy- 10- [(4- methoxybenzyl)amino]- 9- oxo- 5,6,7,9- tetrahydrobenzo[a]heptalen- 7- yl}acetamide
Smiles: COc1ccc(cc1)CNc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C

STL524840
Synonyms: (5alpha,8xi,9xi,14xi)- 17- (acetylamino)- 3- (acetyloxy)androstan- 16- yl5- (acetyloxy)- 4- methylpentanoate
Smiles: CC(COC(=O)C)CCC(=O)OC1CC2[C@](C1NC(=O)C)(C)CCC1C2CC[C@@H]2[C@]1(C)CCC(C2)OC(=O)C

STL524841
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O)CC1[C@](C2)(C)CCCC21OC2

STL524842
Synonyms: methylN~2~- [(4- methylphenyl)sulfonyl]- D- arginyl- L- valinate
Smiles: COC(=O)[C@@H](C(C)C)NC(=O)[C@H](NS(=O)(=O)c1ccc(cc1)C)CCCNC(=N)N

STL524843
Synonyms: 3,4,10- trimethoxy- 7,8,13,13b- tetrahydro- 5H- benzo[1,2]indolizino[8,7- b]indol- 5- one
Smiles: COc1ccc2c(c1)c1CCN3C(c1[nH]2)c1ccc(c(c1C3=O)OC)OC

STL524844
Synonyms: N,N- diethyl- 9- (L- ribofuranosyl)- 9H- purin- 6- amine
Smiles: OC[C@@H]1OC([C@H]([C@H]1O)O)n1cnc2c1ncnc2N(CC)CC

STL524845
Synonyms: (8xi,9xi,14xi)- 17- oxoestra- 1,3,5(10)- trien- 3- yl3- (morpholin- 4- yl)propanoate
Smiles: O=C(Oc1ccc2c(c1)CCC1C2CC[C@]2(C1CCC2=O)C)CCN1CCOCC1

STL524846
Synonyms: (3S,10R,13R)- 5,6- dibromo- 10,13- dimethyl- 17- octylhexadecahydro- 1H- cyclopenta[a]phenanthren- 3- ylnonadecanoate(non- preferredname)
Smiles: CCCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C(C1)(Br)C(Br)CC1C2CC[C@]2(C1CCC2CCCCCCCC)C)C

STL524847
Synonyms: 4- methyl- 2- oxo- 2H- chromen- 7- ylN- (tert- butoxycarbonyl)- D- leucinate
Smiles: CC(C[C@H](C(=O)Oc1ccc2c(c1)oc(=O)cc2C)NC(=O)OC(C)(C)C)C

STL524848
Synonyms: 5- (4- ethoxybenzyl)- 5- {[(1S,5R)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]methyl}- 1- phenylpyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCOc1ccc(cc1)CC1(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)C(=O)NC(=O)N(C1=O)c1ccccc1

STL524849
Synonyms: (3'E,8aR)- 8a- hydroxy- 3'- (4- methoxybenzylidene)- 2- (4- methoxyphenyl)hexahydro- 2'H,4H- spiro[chromene- 3,1'- cyclopentan]- 2'- one
Smiles: COc1ccc(cc1)/C=C/1\CCC2(C1=O)CC1CCCC[C@]1(OC2c1ccc(cc1)OC)O

STL524850
Synonyms: N- {2- [(2- oxo- 4- phenyl- 2H- chromen- 7- yl)oxy]propanoyl}- L- valine
Smiles: O=C(C(Oc1ccc2c(c1)oc(=O)cc2c1ccccc1)C)N[C@H](C(=O)O)C(C)C

STL524851
Synonyms: 5- (4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium- 5- yl)- 2,6- dioxo- 3- phenyl- 1,2,3,6- tetrahydropyrimidin- 4- olate
Smiles: COc1c2OCOc2cc2c1C([NH+](CC2)C)c1c(=O)[nH]c(=O)n(c1[O-])c1ccccc1

STL524852
Synonyms: ethylglycylmethioninate
Smiles: CSCCC(C(=O)OCC)NC(=O)CN

STL524853
Synonyms: (3bS,4aR)- 3,4,4- trimethyl- 1- phenyl- 3b,4,4a,5- tetrahydro- 1H- cyclopropa[3,4]cyclopenta[1,2- c]pyrazole
Smiles: Cc1nn(c2c1[C@H]1[C@@H](C2)C1(C)C)c1ccccc1

STL524854
Synonyms: methyl{[({[(3Z,8xi,9xi,14xi,17xi)- 20- oxopregn- 4- en- 3- ylidene]amino}oxy)acetyl]amino}(phenyl)acetate
Smiles: COC(=O)C(c1ccccc1)NC(=O)CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2C(=O)C)C)C

STL524855
Synonyms: N'- [(E)- (4- hydroxyphenyl)methylidene]- 4- [5- (4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 5- yl)- 1H- tetrazol- 1- yl]benzohydrazide
Smiles: COc1c2c(CCN(C2c2nnnn2c2ccc(cc2)C(=O)N/N=C/c2ccc(cc2)O)C)cc2c1OCO2

STL524856
Synonyms: N- {[(4- methyl- 2- oxo- 2H- chromen- 7- yl)oxy]acetyl}- L- norvaline
Smiles: CCC[C@@H](C(=O)O)NC(=O)COc1ccc2c(c1)oc(=O)cc2C

STL524857
Synonyms: (8xi,9xi,14xi,16alpha)- 17- hydroxy- 16- methyl- 3,20- dioxopregna- 1,4- diene- 11,21- diyldiacetate
Smiles: CC(=O)OC1C[C@@]2(C)C(C3C1[C@@]1(C)C=CC(=O)C=C1CC3)C[C@H]([C@]2(O)C(=O)COC(=O)C)C

STL524858
Synonyms: (4aS,6aS,12aS)- 9- acetyl- 4a,6a,7- trimethyl- 1,2,3,4,4a,4b,5,6,6a,9,10,10a,10b,11,12,12a- hexadecahydronaphtho[2',1':4,5]indeno[2,1- c]pyrazol- 2- ylacetate
Smiles: CC(=O)OC1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1Cc1c2c(C)nn1C(=O)C)C)C

STL524859
Synonyms: 5- [(2- methoxynaphthalen- 1- yl)methyl]- 1,3- dimethyl- 5- [(8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl)methyl]pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: COc1ccc2c(c1CC1(CN3C[C@H]4CC(C3)c3n(C4)c(=O)ccc3)C(=O)N(C)C(=O)N(C1=O)C)cccc2

STL524860
Synonyms: (5Z)- 1- (4- methoxyphenyl)- 5- ({[2- (pyridin- 3- yl)piperidin- 1- yl]amino}methylidene)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: COc1ccc(cc1)N1C(=O)NC(=O)/C(=C/NN2CCCCC2c2cccnc2)/C1=O

STL524861
Synonyms: (8xi,9xi,11alpha,14xi)- 17- hydroxy- 3,20- dioxopregn- 4- ene- 11,21- diyldiacetate
Smiles: CC(=O)O[C@@H]1C[C@@]2(C)C(C3C1[C@@]1(C)CCC(=O)C=C1CC3)CC[C@]2(O)C(=O)COC(=O)C

STL524862
Synonyms: 1,4- dioxo- 1,4- dihydronaphthalen- 2- yl2,3,6- tri- O- acetyl- 4- O- (2,3,4,6- tetra- O- acetyl- alpha- D- glucopyranosyl)- beta- D- glucopyranoside
Smiles: CC(=O)OC[C@H]1O[C@@H](OC2=CC(=O)c3c(C2=O)cccc3)[C@@H]([C@H]([C@@H]1O[C@H]1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

STL524863
Synonyms: (7S)- 1,2,3- trimethoxy- 7- (methylamino)- 10- (piperidin- 1- yl)- 6,7- dihydrobenzo[a]heptalen- 9(5H)- one
Smiles: CN[C@H]1CCc2c(c3c1cc(=O)c(cc3)N1CCCCC1)c(OC)c(c(c2)OC)OC

STL524864
Synonyms: (8xi,9xi,14xi,17xi)- 20- oxopregn- 5- en- 3- yl3- (piperidin- 1- yl)propanoate
Smiles: O=C(OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3CCC2C(=O)C)C)C1)C)CCN1CCCCC1

STL524865
Synonyms: (1R,4E,5S)- 4- [(acetyloxy)imino]- 3,6,6- trimethylbicyclo[3.1.0]hex- 2- ene- 2- carbonitrile
Smiles: N#CC1=C(C)/C(=N/OC(=O)C)/[C@H]2[C@@H]1C2(C)C

STL524866
Synonyms: 1- (4- hydroxy- 3- methoxyphenyl)- 2,3,4,9- tetrahydro- 1H- beta- carboline- 3- carboxylicacid
Smiles: COc1cc(ccc1O)C1NC(Cc2c1[nH]c1c2cccc1)C(=O)O

STL524867
Synonyms: (1R,9aR)- octahydro- 2H- quinolizin- 1- ylmethyl2- fluorobenzoate
Smiles: O=C(c1ccccc1F)OC[C@@H]1CCCN2[C@@H]1CCCC2

STL524868
Synonyms: (8xi,9xi,14xi)- 17- hydroxy- 3,20- dioxopregn- 4- en- 21- yloctadecanoate
Smiles: CCCCCCCCCCCCCCCCCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C

STL524869
Synonyms: (3alpha,6alpha,8xi,9xi,14xi,17xi)- 20- methyl- 20,21- epoxypregnane- 3,6- diol
Smiles: O[C@@H]1CC[C@]2(C(C1)[C@@H](O)CC1C2CC[C@]2(C1CCC2C1(C)CO1)C)C

STL524870
Synonyms: (6alpha,8xi,9xi,14xi,16alpha)- 17- hydroperoxy- 6,16- dimethyl- 3,20- dioxopregna- 1,4- diene- 11,21- diyldiacetate
Smiles: OO[C@@]1([C@H](C)CC2[C@]1(C)CC(OC(=O)C)C1C2C[C@@H](C2=CC(=O)C=C[C@]12C)C)C(=O)COC(=O)C

STL524871
Synonyms: 5- {[(5R)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]methyl}- 1- phenyl- 5- [4- (propan- 2- yl)benzyl]pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CC(c1ccc(cc1)CC1(CN2C[C@H]3CC(C2)c2n(C3)c(=O)ccc2)C(=O)NC(=O)N(C1=O)c1ccccc1)C

STL524872
Synonyms: N,2- bis[4- (2- methylpropyl)phenyl]propanamide
Smiles: CC(Cc1ccc(cc1)NC(=O)C(c1ccc(cc1)CC(C)C)C)C

STL524873
Synonyms: 2- amino- 9- (L- ribofuranosyl)- 8- sulfanyl- 1,9- dihydro- 6H- purin- 6- one
Smiles: OC[C@@H]1OC([C@H]([C@H]1O)O)n1c(S)nc2c1nc(N)[nH]c2=O

STL524874
Synonyms: (5alpha,8xi,9xi,14xi,17beta)- 17- methyl- 3- oxoandrostan- 17- ylacetate
Smiles: O=C1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CC[C@]2(C)OC(=O)C)C)C

STL524875
Synonyms: (5alpha,8xi,9xi,14xi,16alpha)- 16- methyl- 20- oxopregnane- 3,17,21- triyltriacetate
Smiles: CC(=O)OCC(=O)[C@@]1(OC(=O)C)[C@H](C)CC2[C@]1(C)CCC1C2CC[C@@H]2[C@]1(C)CCC(C2)OC(=O)C

STL524876
Synonyms: (5Z)- 1- (2,5- dimethoxyphenyl)- 5- ({[2- (pyridin- 3- yl)piperidin- 1- yl]amino}methylidene)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: COc1ccc(c(c1)N1C(=O)NC(=O)/C(=C/NN2CCCCC2c2cccnc2)/C1=O)OC

STL524877
Synonyms: 3- methyl- 1- [(4- methylphenyl)sulfonyl]- 5- (prop- 1- en- 2- yl)- 1,4,5,6- tetrahydrocyclopenta[c]pyrazole
Smiles: CC(=C)C1Cc2c(C1)n(nc2C)S(=O)(=O)c1ccc(cc1)C

STL524878
Synonyms: 5- (4,5- dimethoxy- 3- oxo- 1,3- dihydro- 2- benzofuran- 1- yl)- 6- hydroxy- 1- (3- methoxyphenyl)pyrimidine- 2,4(1H,3H)- dione
Smiles: COc1cccc(c1)n1c(=O)[nH]c(=O)c(c1O)C1OC(=O)c2c1ccc(c2OC)OC

STL524879
Synonyms: 4- hydroxy- 6- methyl- 3- [2- (3,4,5- trimethoxyphenyl)- 2,3- dihydro- 1,5- benzothiazepin- 4- yl]- 2H- pyran- 2- one
Smiles: COc1cc(cc(c1OC)OC)C1Sc2ccccc2N=C(C1)c1c(O)cc(oc1=O)C

STL524880
Synonyms: methyl3- ({[(1R,5S)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]acetyl}amino)- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN1C[C@H]3C[C@@H](C1)c1n(C3)c(=O)ccc1)cccc2

STL524881
Synonyms: methyl(5E)- 5- (1- aminobutylidene)- 2,2- dimethyl- 4,6- dioxocyclohexanecarboxylate
Smiles: CCC/C(=C\1/C(=O)CC(C(C1=O)C(=O)OC)(C)C)/N

STL524882
Synonyms: (7S)- 10- (4- benzylpiperidin- 1- yl)- 1,2,3- trimethoxy- 7- (methylamino)- 6,7- dihydrobenzo[a]heptalen- 9(5H)- one
Smiles: CN[C@H]1CCc2c(c3c1cc(=O)c(cc3)N1CCC(CC1)Cc1ccccc1)c(OC)c(c(c2)OC)OC

STL524883
Synonyms: (4R)- 10- chloro- 4- (4- methoxyphenyl)- 2,4- dimethyl- 5,6- dihydro- 4H- benzo[d]cyclohepta[1,2- b:3,4- b']difuran
Smiles: COc1ccc(cc1)[C@@]1(C)CCc2c(c3c1cc(o3)C)c1c(o2)ccc(c1)Cl

STL524884
Synonyms: (8xi,9xi,14xi,16alpha)- 17- hydroxy- 3,20- dioxopregn- 4- ene- 16,21- diyldiacetate
Smiles: CC(=O)O[C@@H]1CC2[C@]([C@@]1(O)C(=O)COC(=O)C)(C)CCC1C2CCC2=CC(=O)CC[C@]12C

STL524885
Synonyms: 9- {4- [2- (pyridin- 3- yl)piperidin- 1- yl]but- 2- yn- 1- yl}- 9H- fluoren- 9- ol
Smiles: OC1(CC#CCN2CCCCC2c2cccnc2)c2ccccc2c2c1cccc2

STL524886
Synonyms: (1S)- N- [(2E)- 2- cyano- 3- phenylprop- 2- enoyl]- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocine- 3(4H)- carboxamide
Smiles: N#C/C(=C\c1ccccc1)/C(=O)NC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

STL524887
Synonyms: 5- (3,4- dimethoxybenzyl)- 1- (4- methoxyphenyl)- 5- {[(1R,5R)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]methyl}pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: COc1ccc(cc1)N1C(=O)NC(=O)C(C1=O)(CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cc1ccc(c(c1)OC)OC

STL524888
Synonyms: (8xi,9xi,14xi)- 3- methoxyestra- 1(10),2,4- triene- 17,17- diyldiacetate
Smiles: COc1ccc2c(c1)CCC1C2CC[C@]2(C1CCC2(OC(=O)C)OC(=O)C)C

STL524889
Synonyms: 10- methoxy- 7,8,13,13b- tetrahydro- 5H- benzo[1,2]indolizino[8,7- b]indol- 5- one
Smiles: COc1ccc2c(c1)c1CCN3C(c1[nH]2)c1ccccc1C3=O

STL524890
Synonyms: ethyl(8xi,9xi,14xi,20R)- 3- (acetyloxy)- 21- amino- 21- oxo- 17,20- epoxypregn- 5- ene- 20- carboxylate
Smiles: CCOC(=O)[C@]1(O[C@]21CCC1[C@]2(C)CCC2C1CC=C1[C@]2(C)CCC(C1)OC(=O)C)C(=O)N

STL524891
Synonyms: 3- (4- bromophenyl)- 5- (4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium- 5- yl)- 2,6- dioxo- 1,2,3,6- tetrahydropyrimidin- 4- olate
Smiles: COc1c2OCOc2cc2c1C([NH+](CC2)C)c1c(=O)[nH]c(=O)n(c1[O-])c1ccc(cc1)Br

STL524892
Synonyms: methylN- [({[(3Z,8xi,9xi,14xi)- 17- hydroxy- 20- oxopregn- 4- en- 3- ylidene]amino}oxy)acetyl]tyrosinate
Smiles: COC(=O)C(Cc1ccc(cc1)O)NC(=O)CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C(=O)C)C)C

STL524893
Synonyms: (1R,6S)- 7,7- dichloro- 4- (2,2- dichloro- 1- methylcyclopropyl)- 1- methylbicyclo[4.1.0]heptane
Smiles: CC1(CC1(Cl)Cl)C1CC[C@@]2([C@H](C1)C2(Cl)Cl)C

STL524894
Synonyms: 5- phenyl- 2,3,6,7- tetrahydro- 1,4- thiazepine- 3,7- dicarboxylicacid
Smiles: OC(=O)C1SCC(N=C(C1)c1ccccc1)C(=O)O

STL524895
Synonyms: (5s,7s)- 2- (2,2- dimethyltetrahydro- 2H- pyran- 4- yl)- 5,7- dimethyl- 1,3- diazatricyclo[3.3.1.1~3,7~]decan- 6- one
Smiles: O=C1[C@]2(C)CN3C[C@@]1(C)CN(C2)C3C1CCOC(C1)(C)C

STL524896
Synonyms: N- [(7- hydroxy- 4- oxo- 3- phenoxy- 4H- chromen- 8- yl)methyl]- L- phenylalanine
Smiles: OC(=O)[C@H](Cc1ccccc1)NCc1c(O)ccc2c1occ(c2=O)Oc1ccccc1

STL524897
Synonyms: N- {[(2- oxo- 2H- chromen- 7- yl)oxy]acetyl}norvaline
Smiles: CCCC(C(=O)O)NC(=O)COc1ccc2c(c1)oc(=O)cc2

STL524898
Synonyms: (2R,3R,4S,4aR,12aS)- 2- [(acetyloxy)methyl]- 6,11- dioxo- 3,4,4a,6,11,12a- hexahydro- 2H- naphtho[2,3- b]pyrano[2,3- e][1,4]oxathiine- 3,4- diyldiacetate
Smiles: CC(=O)O[C@@H]1[C@H]2OC3=C(S[C@@H]2O[C@@H]([C@H]1OC(=O)C)COC(=O)C)C(=O)c1c(C3=O)cccc1

STL524899
Synonyms: (9aS)- 9,9- dimethyl- 9a- {(E)- 2- [4- (morpholin- 4- yl)phenyl]ethenyl}- 9,9a- dihydro- 1H- imidazo[1,2- a]indol- 2(3H)- one
Smiles: O=C1CN2[C@@](N1)(/C=C/c1ccc(cc1)N1CCOCC1)C(c1c2cccc1)(C)C

STL524900
Synonyms:
Smiles: CC1CCN(CC1)CC1C(=O)O[C@H]2[C@H]1CC[C@@]1(C2=C(C)C(=O)C=C1)C

STL524901
Synonyms: 2- {(1R)- 1- [(tert- butoxycarbonyl)amino]ethyl}- 6- ethyl- 3- (4- methyl- 1,3- thiazol- 2- yl)- 4- oxo- 4H- chromen- 7- ylN- (tert- butoxycarbonyl)- D- alaninate
Smiles: CCc1cc2c(cc1OC(=O)[C@H](NC(=O)OC(C)(C)C)C)oc(c(c2=O)c1scc(n1)C)[C@H](NC(=O)OC(C)(C)C)C

STL524902
Synonyms: (8xi,9xi,14xi,17xi,19E)- 19- (2- benzylhydrazinylidene)- 3,5,14- trihydroxycard- 20(22)- enolide
Smiles: OC1CC[C@]2(C(C1)(O)CCC1C2CC[C@]2(C1(O)CCC2C1=CC(=O)OC1)C)/C=N/NCc1ccccc1

STL524903
Synonyms: 1- {3- [(1,3- benzothiazol- 2- ylsulfanyl)methyl]- 4- methoxyphenyl}- 6- methoxy- 2,3,4,9- tetrahydro- 1H- beta- carboline- 3- carboxylicacid
Smiles: COc1ccc2c(c1)c1CC(NC(c1[nH]2)c1ccc(c(c1)CSc1nc2c(s1)cccc2)OC)C(=O)O

STL524904
Synonyms: (5R)- 3- [2- (1,2- dimethyl- 1H- indol- 3- yl)- 2- oxoethyl]- 1,2,3,4,5,6- hexahydro- 8H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 8- one
Smiles: O=C(c1c2ccccc2n(c1C)C)CN1C[C@H]2CC(C1)c1n(C2)c(=O)ccc1

STL524905
Synonyms: 1- (4- {[(8xi,9xi,14xi)- 11,17- dihydroxy- 3,20- dioxopregn- 4- en- 21- yl]oxy}- 4- oxobutanoyl)- 4- hydroxyproline
Smiles: OC1CN(C(C1)C(=O)O)C(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)CC[C@]12C

STL524906
Synonyms: 5- O- alpha- D- glucopyranosyl- D- xylo- hexitol
Smiles: OCC([C@H]([C@@H]([C@H](CO)O)O)O)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O

STL524907
Synonyms: (2S)- 6- hydroxy- 2- phenyl- 2,3- dihydro- 4H- chromen- 4- one
Smiles: Oc1ccc2c(c1)C(=O)C[C@H](O2)c1ccccc1

STL524908
Synonyms: 2- iodo- 1- [(5R,10S,13S,17S)- 2',2',10,13- tetramethylhexadecahydro- 3'H- spiro[cyclopenta[a]phenanthrene- 17,5'- [1,3]oxazolidin]- 3'- yl]ethanone
Smiles: ICC(=O)N1C[C@]2(OC1(C)C)CCC1[C@]2(C)CCC2C1CC[C@@H]1[C@]2(C)CCCC1

STL524909
Synonyms: (8xi,14xi)- 21- (acetyloxy)- 9- fluoro- 3,20- dioxopregna- 1,4,16- trien- 11- ylbutanoate
Smiles: CCCC(=O)OC1C[C@]2(C)C(=CCC2C2[C@@]1(F)[C@@]1(C)C=CC(=O)C=C1CC2)C(=O)COC(=O)C

STL524910
Synonyms: 2- ethyl- 4- {2- [(4- methoxybenzyl)amino]ethyl}- 2- methyltetrahydro- 2H- pyran- 4- ol
Smiles: CCC1(C)OCCC(C1)(O)CCNCc1ccc(cc1)OC

STL524911
Synonyms: (8xi,14xi,17xi)- 14- hydroxy- 3- (nitrooxy)card- 20(22)- enolide
Smiles: O=C1OCC(=C1)C1CCC2([C@]1(C)CC[C@H]1C2CCC2[C@]1(C)CCC(C2)O[N+](=O)[O-])O

STL524912
Synonyms: (13aS)- 5- phenyl- 2,3,4,4a,5,6- hexahydro- 1H,3'H,13H- spiro[benzimidazo[2,1- j]quinoline- 7,1'- [2]benzofuran]- 3'- one
Smiles: O=C1OC2(c3c1cccc3)CC(c1ccccc1)C1[C@@]3(N2c2ccccc2N3)CCCC1

STL524913
Synonyms: ethyl5- {7- [(1- ethoxy- 1- oxopropan- 2- yl)oxy]- 4- oxo- 4H- chromen- 3- yl}furan- 2- carboxylate
Smiles: CCOC(=O)C(Oc1ccc2c(c1)occ(c2=O)c1ccc(o1)C(=O)OCC)C

STL524914
Synonyms: 3- methyl- 1- (2- phenylethyl)- 3,4- dihydroisoquinoline
Smiles: CC1Cc2ccccc2C(=N1)CCc1ccccc1

STL524915
Synonyms: (3alpha,8xi,9xi,14xi,16xi,17xi,20xi,22xi)- spirostan- 3- ylnonanoate
Smiles: CCCCCCCCC(=O)O[C@@H]1CC[C@]2(C(C1)CCC1C2CC[C@]2(C1CC1C2C(C)C2(O1)CCC(CO2)C)C)C

STL524916
Synonyms: (11aS)- 5- (1,3- benzodioxol- 5- yl)- 2- ethyl- 3- thioxo- 2,3,5,6,11,11a- hexahydro- 1H- imidazo[1',5':1,6]pyrido[3,4- b]indol- 1- one
Smiles: CCN1C(=O)[C@H]2N(C1=S)C(c1ccc3c(c1)OCO3)c1c(C2)c2ccccc2[nH]1

STL524917
Synonyms: 1- [1- (3,4- dimethoxyphenyl)- 3- methyl- 1,3,4,9- tetrahydro- 2H- beta- carbolin- 2- yl]- 3- phenoxypropan- 2- ol
Smiles: COc1cc(ccc1OC)C1N(CC(COc2ccccc2)O)C(C)Cc2c1[nH]c1c2cccc1

STL524918
Synonyms: N- {(7S)- 1,2,3- trimethoxy- 9- oxo- 10- [(2,2,6,6- tetramethylpiperidin- 4- yl)amino]- 5,6,7,9- tetrahydrobenzo[a]heptalen- 7- yl}acetamide
Smiles: COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)NC2CC(C)(C)NC(C2)(C)C)NC(=O)C)cc(c1OC)OC

STL524919
Synonyms: glycylnorvaline
Smiles: CCCC(C(=O)O)NC(=O)CN

STL524920
Synonyms: 1- benzyl- 5- (4- methoxybenzyl)- 5- {[(1S,5R)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]methyl}pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: COc1ccc(cc1)CC1(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)C(=O)NC(=O)N(C1=O)Cc1ccccc1

STL524921
Synonyms: (8xi,9xi,14xi)- 16- bromo- 17- hydroxypregn- 4- ene- 3,20- dione
Smiles: O=C1CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC([C@]2(O)C(=O)C)Br)C)C

STL524922
Synonyms: 1- (2,4- dimethoxyphenyl)- 2,3,4,9- tetrahydro- 1H- beta- carboline
Smiles: COc1ccc(c(c1)OC)C1NCCc2c1[nH]c1c2cccc1

STL524923
Synonyms: 1,4,4a,5,7,8,9,14,14b,14c- decahydroisoindolo[2',1':1,2]azepino[3,4- b]indole
Smiles: C1=CCC2C(C1)CN1C2c2[nH]c3c(c2CCC1)cccc3

STL524924
Synonyms: N- benzyl- 4- oxo- 4- [(1S,5R)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]butanamide
Smiles: O=C(CCC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)NCc1ccccc1

STL524925
Synonyms: methyl3,3- dimethyl- 1,13- dioxo- 2,3,4,6,7,11b,12,13- octahydro- 1H- pyrrolo[2',1':3,4]pyrazino[1,2- a]quinoline- 2- carboxylate
Smiles: COC(=O)C1C(=O)C2=C(CC1(C)C)N1C(CC2=O)c2cccn2CC1

STL524926
Synonyms: (5R)- 3- {3- [(5E)- 5- (3- methoxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]propanoyl}- 1,2,3,4,5,6- hexahydro- 8H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 8- one
Smiles: COc1cccc(c1)/C=C\1/SC(=S)N(C1=O)CCC(=O)N1C[C@H]2CC(C1)c1n(C2)c(=O)ccc1

STL524927
Synonyms: 4- (4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 5- yl)benzene- 1,3- diol
Smiles: COc1c2c(CCN(C2c2ccc(cc2O)O)C)cc2c1OCO2

STL524928
Synonyms: (2R,4aS,6aS,6bS,9aR,12aS)- 6b- acetyl- 4a,6a,8,8- tetramethylhexadecahydro- 1H- naphtho[2',1':4,5]indeno[1,2- d][1,3]dioxol- 2- yl3- iodobenzoate
Smiles: Ic1cccc(c1)C(=O)O[C@@H]1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1C[C@@H]1[C@]2(OC(O1)(C)C)C(=O)C)C)C

STL524929
Synonyms: (3alpha,5beta,8xi,9xi,14xi)- 3,17- dihydroxypregnane- 11,20- dione
Smiles: O[C@@H]1CC[C@]2([C@@H](C1)CCC1C2C(=O)C[C@]2(C1CC[C@]2(O)C(=O)C)C)C

STL524930
Synonyms: (4S,5S,6S,7S)- 4,7- bis(hydroxymethyl)- 1,3- dioxepane- 5,6- diol(non- preferredname)
Smiles: OC[C@@H]1OCO[C@H]([C@H]([C@@H]1O)O)CO

STL524931
Synonyms: 2,3,4,5,6- pentahydroxy- N'- [(E)- (2- hydroxyphenyl)methylidene]hexanehydrazide(non- preferredname)
Smiles: OCC(C(C(C(C(=O)N/N=C/c1ccccc1O)O)O)O)O

STL524932
Synonyms: 3- [6- amino- 8- (morpholin- 4- yl)- 3H- purin- 3- yl]propane- 1,2- diol
Smiles: OCC(Cn1cnc(c2c1nc(n2)N1CCOCC1)N)O

STL524933
Synonyms: (4aR,6aR)- 4a,6a- dimethyl- 8- (6- methylheptan- 2- yl)- 1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11- hexadecahydrochrysen- 2- yl[(2- methyl- 4- oxo- 3- phenoxy- 4H- chromen- 7- yl)oxy]acetate
Smiles: CC(CCCC(C1CCC2[C@](C1)(C)CCC1C2CC=C2[C@]1(C)CCC(C2)OC(=O)COc1ccc2c(c1)oc(c(c2=O)Oc1ccccc1)C)C)C

STL524934
Synonyms: 8- hexyl- 4- oxo- 1,2,3,4- tetrahydrocyclopenta[c]chromen- 7- yl{[(4- methylphenyl)sulfonyl]amino}(phenyl)acetate
Smiles: CCCCCCc1cc2c(cc1OC(=O)C(c1ccccc1)NS(=O)(=O)c1ccc(cc1)C)oc(=O)c1c2CCC1

STL524935
Synonyms: N- {(2E)- 3- (4- methoxyphenyl)- 2- [(phenylcarbonyl)amino]prop- 2- enoyl}leucine
Smiles: COc1ccc(cc1)/C=C(\C(=O)NC(C(=O)O)CC(C)C)/NC(=O)c1ccccc1

STL524936
Synonyms: 6- (4,5- dimethoxy- 3- oxo- 1,3- dihydro- 2- benzofuran- 1- yl)- 7- hydroxy- 2,3- dihydro- 5H- [1,3]thiazolo[3,2- a]pyrimidin- 5- one
Smiles: COc1c(OC)ccc2c1C(=O)OC2c1c(O)nc2n(c1=O)CCS2

STL524937
Synonyms: ethyl(2Z)- 2- [(8xi,9xi,14xi,20Z)- 3- hydroxypregna- 5,16- dien- 20- ylidene]hydrazinecarboxylate
Smiles: CCOC(=O)N/N=C(\C1=CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CCC(C2)O)/C

STL524938
Synonyms: (3aS,6aS)- 5- (2- methoxyphenyl)- 3- (quinolin- 2- ylcarbonyl)- 3a,6a- dihydropyrrolo[3,4- c]pyrazole- 4,6(1H,5H)- dione
Smiles: COc1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)C(=NN2)C(=O)c1ccc2c(n1)cccc2

STL524939
Synonyms: 4- (4- methoxy- 3- nitrobenzyl)- 2- (2,3,4,6- tetra- O- acetyl- D- glucopyranosyl)- 1,2,4- triazine- 3,5(2H,4H)- dione
Smiles: COc1ccc(cc1[N+](=O)[O-])Cn1c(=O)cnn(c1=O)C1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C

STL524940
Synonyms: 5- (4- ethoxybenzyl)- 1- (4- ethylphenyl)- 5- {[(1R,5R)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]methyl}pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCOc1ccc(cc1)CC1(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)C(=O)NC(=O)N(C1=O)c1ccc(cc1)CC

STL524941
Synonyms: N- {[(4- methyl- 2- oxo- 2H- chromen- 7- yl)oxy]acetyl}- L- norleucine
Smiles: CCCC[C@@H](C(=O)O)NC(=O)COc1ccc2c(c1)oc(=O)cc2C

STL524942
Synonyms: (8xi,9xi,14xi,16alpha)- 20- (hydroxymethyl)- 21,21- dimethoxy- 16,17- epoxypregna- 5,20- dien- 3- ol
Smiles: OCC(=C(OC)OC)[C@@]12O[C@@H]1CC1[C@]2(C)CCC2C1CC=C1[C@]2(C)CCC(C1)O

STL524943
Synonyms: 5- (3,4- dimethoxyphenyl)- 3,3- dimethyl- 3,4,5,6- tetrahydrobenzo[a]phenanthridin- 1(2H)- one
Smiles: COc1ccc(cc1OC)C1Nc2ccc3c(c2C2=C1CC(C)(C)CC2=O)cccc3

STL524944
Synonyms: N- {3- methyl- 2- [(phenylcarbonyl)amino]but- 2- enoyl}phenylalanine
Smiles: CC(=C(C(=O)NC(C(=O)O)Cc1ccccc1)NC(=O)c1ccccc1)C

STL524945
Synonyms: 4,8- dimethoxy- 7- [(2,2,5,5- tetramethyl- 1,3- dioxolan- 4- yl)methoxy]furo[2,3- b]quinoline
Smiles: COc1c(OCC2OC(OC2(C)C)(C)C)ccc2c1nc1occc1c2OC

STL524946
Synonyms: N- {2- [(2- oxo- 4- phenyl- 2H- chromen- 7- yl)oxy]propanoyl}- beta- alanine
Smiles: OC(=O)CCNC(=O)C(Oc1ccc2c(c1)oc(=O)cc2c1ccccc1)C

STL524947
Synonyms: 2- (4- benzyl- 2,2- dimethyltetrahydro- 2H- pyran- 4- yl)- N- (4- methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)NC(=O)CC1(CCOC(C1)(C)C)Cc1ccccc1

STL524948
Synonyms: 8- (heptylamino)guanosine
Smiles: CCCCCCCNc1nc2c(n1[C@@H]1O[C@@H]([C@H]([C@H]1O)O)CO)nc([nH]c2=O)N

STL524949
Synonyms: glycylalanine
Smiles: CC(C(=O)O)NC(=O)CN

STL524950
Synonyms: 4- oxo- 4- [(1R,5R)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]- N- (3,4,5- trimethoxybenzyl)butanamide
Smiles: COc1c(OC)cc(cc1OC)CNC(=O)CCC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

STL524951
Synonyms: 2- deoxy- 2- {[(E)- (4- hydroxyphenyl)methylidene]amino}- beta- D- glucopyranose
Smiles: OC[C@H]1O[C@@H](O)[C@@H]([C@H]([C@@H]1O)O)/N=C/c1ccc(cc1)O

STL524952
Synonyms: 4- (2,3- dihydro- 1H- indol- 3- yl)- 4- oxobutanoicacid
Smiles: OC(=O)CCC(=O)C1CNc2c1cccc2

STL524953
Synonyms: (1R,2R,3Z,5R)- N- hydroxy- 2- [(1Z)- N- hydroxyethanimidoyl]- 6,6- dimethylbicyclo[3.1.0]hexan- 3- imine
Smiles: O/N=C(\[C@@H]1/C(=N\O)/C[C@@H]2[C@H]1C2(C)C)/C

STL524954
Synonyms: 5- (2,4- dimethoxybenzyl)- 5- {[(1S,5R)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]methyl}- 1- phenylpyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: COc1ccc(c(c1)OC)CC1(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)C(=O)NC(=O)N(C1=O)c1ccccc1

STL524955
Synonyms: 4- {[(8xi,9xi,11alpha,14xi,17xi)- 3,20- dioxopregn- 4- en- 11- yl]oxy}- 4- oxobutanoicacid
Smiles: O=C(O[C@@H]1C[C@@]2(C)C(C3C1[C@@]1(C)CCC(=O)C=C1CC3)CCC2C(=O)C)CCC(=O)O

STL524956
Synonyms: (2alpha,5alpha,8xi,9xi,14xi,16xi,17xi)- 5,6- dihydroxyspirostan- 2,3- diyldibenzoate
Smiles: CC1CC[C@@]2(OC1)OC1C([C@@H]2C)[C@@]2(C(C1)C1CC(O)[C@@]3([C@](C1CC2)(C)C[C@H](C(C3)OC(=O)c1ccccc1)OC(=O)c1ccccc1)O)C

STL524957
Synonyms: 1- (4,5- dimethoxy- 3- oxo- 1,3- dihydro- 2- benzofuran- 1- yl)- 3- (2- hydroxyethyl)urea
Smiles: OCCNC(=O)NC1OC(=O)c2c1ccc(c2OC)OC

STL524958
Synonyms: (8xi,9xi,14xi)- 3- oxoandrost- 4- en- 17- ylbenzoate
Smiles: O=C1CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2OC(=O)c1ccccc1)C)C

STL524959
Synonyms: (8xi,9xi,14xi,16alpha)- 3- hydroxy- 16- methyl- 16,17- epoxypregn- 5- en- 20- one
Smiles: OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3C[C@@]3([C@]2(O3)C(=O)C)C)C)C1)C

STL524960
Synonyms: 4- methoxy- 3- {[(1R,5S)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]methyl}benzaldehyde
Smiles: O=Cc1ccc(c(c1)CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)OC

STL524961
Synonyms: methyl5- methyl- 3- ({[(1R,5S)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]acetyl}amino)- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN1C[C@H]3C[C@@H](C1)c1n(C3)c(=O)ccc1)cc(cc2)C

STL524962
Synonyms: methylN- {[(6- ethyl- 4- methyl- 2- oxo- 2H- chromen- 7- yl)oxy]acetyl}- D- phenylalaninate
Smiles: COC(=O)[C@@H](Cc1ccccc1)NC(=O)COc1cc2oc(=O)cc(c2cc1CC)C

STL524963
Synonyms: methylN- [({[(3E,8xi,9xi,14xi)- 17- hydroxypregn- 4- en- 20- yn- 3- ylidene]amino}oxy)acetyl]histidinate
Smiles: C[C@@]12CC/C(=N\OCC(=O)NC(C(=O)OC)Cc3c[nH]cn3)/C=C2CCC2C1CC[C@]1(C2CC[C@]1(O)C#C)C

STL524964
Synonyms: N- {[(2- oxo- 4- phenyl- 2H- chromen- 7- yl)oxy]acetyl}- D- leucine
Smiles: CC(C[C@H](C(=O)O)NC(=O)COc1ccc2c(c1)oc(=O)cc2c1ccccc1)C

STL524965
Synonyms: 9,10,12- trihydroxyoctadecanoicacid
Smiles: CCCCCCC(CC(C(CCCCCCCC(=O)O)O)O)O

STL524966
Synonyms: 5- (2- ethoxybenzyl)- 1,3- dimethyl- 5- {[(1R,5R)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]methyl}pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCOc1ccccc1CC1(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)C(=O)N(C)C(=O)N(C1=O)C

STL524967
Synonyms: (3S,10R,13R)- 10,13- dimethyl- 17- octyl- 2,3,4,7,8,9,10,11,12,13,14,15,16,17- tetradecahydro- 1H- cyclopenta[a]phenanthren- 3- yl2- chlorobutanoate(non- preferredname)
Smiles: CCCCCCCCC1CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CC[C@@H](C2)OC(=O)C(CC)Cl

STL524968
Synonyms: N- [(8xi,9xi,14xi,16xi,17xi)- 3- hydroxy- 16- methylfurosta- 5,20(22)- dien- 26- yl]acetamide
Smiles: CC(CCC1=C(C)C2C(O1)(C)CC1[C@]2(C)CCC2C1CC=C1[C@]2(C)CCC(C1)O)CNC(=O)C

STL524969
Synonyms: N- (3,3- dimethyl- 3,4- dihydroisoquinolin- 1- yl)alanine
Smiles: OC(=O)C(NC1=NC(C)(C)Cc2c1cccc2)C

STL524970
Synonyms: (8xi,14xi,17xi,19E)- 19- (benzylimino)- 3,5,14- trihydroxycard- 20(22)- enolide
Smiles: O=C1OCC(=C1)C1CCC2([C@]1(C)CC[C@H]1C2CCC2([C@]1(/C=N/Cc1ccccc1)CCC(C2)O)O)O

STL524971
Synonyms: (5alpha,8xi,9xi,14xi)- 6- chloro- 5- hydroxy- 17- oxoandrostan- 3- ylacetate
Smiles: CC(=O)OC1CC[C@]2([C@@](C1)(O)C(Cl)CC1C2CC[C@]2(C1CCC2=O)C)C

STL524972
Synonyms: (1R,5R)- 3- (furan- 2- ylcarbonyl)- 1,2,3,4,5,6- hexahydro- 8H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 8- one
Smiles: O=C(c1ccco1)N1C[C@H]2C[C@H](C1)c1n(C2)c(=O)ccc1

STL524973
Synonyms: 6- (3- bromophenyl)- 9,10- dimethoxy- 6,6a- dihydroisoindolo[2,1- a]quinazoline- 5,11- dione
Smiles: COc1ccc2c(c1OC)C(=O)N1C2N(c2cccc(c2)Br)C(=O)c2c1cccc2

STL524974
Synonyms: methylN- (4- {[(8xi,9xi,14xi)- 11,17- dihydroxy- 3,20- dioxopregn- 4- en- 21- yl]oxy}- 4- oxobutanoyl)phenylalaninate
Smiles: COC(=O)C(Cc1ccccc1)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)CC[C@]12C

STL524975
Synonyms: 1- (3,4- dimethoxyphenyl)- 3- hydroxy- 2- (2- methoxyphenoxy)propan- 1- one
Smiles: OCC(C(=O)c1ccc(c(c1)OC)OC)Oc1ccccc1OC

STL524976
Synonyms: 6- butyl- 3- (2- methyl- 1,3- thiazol- 4- yl)- 4- oxo- 4H- chromen- 7- ylN,O- bis(tert- butoxycarbonyl)- D- tyrosinate
Smiles: CCCCc1cc2c(cc1OC(=O)[C@@H](Cc1ccc(cc1)OC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)occ(c2=O)c1csc(n1)C

STL524977
Synonyms: methyl{[({[(3Z,8xi,9xi,14xi)- 17- hydroxy- 20- oxopregn- 4- en- 3- ylidene]amino}oxy)acetyl]amino}(phenyl)acetate
Smiles: COC(=O)C(c1ccccc1)NC(=O)CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C(=O)C)C)C

STL524978
Synonyms: 10- (4- bromophenyl)- 3,4,9,10- tetrahydropyrrolo[3,4- b][1,5]benzodiazepin- 1(2H)- one
Smiles: Brc1ccc(cc1)C1Nc2ccccc2NC2=C1C(=O)NC2

STL524979
Synonyms: 1- (3- methylphenyl)- 2,3,4,9- tetrahydro- 1H- beta- carboline- 3- carboxylicacid
Smiles: Cc1cccc(c1)C1NC(Cc2c1[nH]c1c2cccc1)C(=O)O

STL524980
Synonyms: (10R,13S,17R)- 10,13- dimethyl- 1,2,6,7,8,9,10,12,13,14,15,16- dodecahydrodispiro[cyclopenta[a]phenanthrene- 17,4'- [1,3]dioxolane- 5',4''- [1,3]dioxolane]- 3,11- dione
Smiles: O=C1CC[C@]2(C(=C1)CCC1C2C(=O)C[C@]2(C1CC[C@]12OCOC21OCOC2)C)C

STL524981
Synonyms: N- [(7- hydroxy- 4- oxo- 3- phenoxy- 4H- chromen- 8- yl)methyl]- D- isoleucine
Smiles: CCC([C@H](C(=O)O)NCc1c(O)ccc2c1occ(c2=O)Oc1ccccc1)C

STL524982
Synonyms: (8xi,9xi,14xi)- 17- hydroxy- 3,20- dioxopregn- 4- en- 21- yl2,2- dimethylpropanoate
Smiles: O=C1CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C(=O)COC(=O)C(C)(C)C)C)C

STL524983
Synonyms: 7- (4- methoxyphenyl)- 5- phenyl- 1,2,3,4,4a,5- hexahydro[1,3]benzoxazolo[2,3- j]quinoline
Smiles: COc1ccc(cc1)C1=CC(c2ccccc2)C2C3(N1c1ccccc1O3)CCCC2

STL524984
Synonyms: 1- (4- ethylphenyl)- 5- (naphthalen- 1- ylmethyl)- 5- {[(1R,5R)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]methyl}pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCc1ccc(cc1)N1C(=O)NC(=O)C(C1=O)(CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cc1cccc2c1cccc2

STL524985
Synonyms: ethyl4- [(4,5- dimethoxy- 3- oxo- 1,3- dihydro- 2- benzofuran- 1- yl)amino]benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC1OC(=O)c2c1ccc(c2OC)OC

STL524986
Synonyms: methyl6,6- dimethyl- 4- oxo- 3- propyl- 4,5,6,7- tetrahydro- 1,2- benzoxazole- 5- carboxylate
Smiles: CCCc1noc2c1C(=O)C(C(C2)(C)C)C(=O)OC

STL524987
Synonyms: (8xi,14xi,16alpha)- 9- fluoro- 11,16,17,21- tetrahydroxypregna- 1,4- diene- 3,20- dione
Smiles: OCC(=O)[C@@]1(O)[C@H](O)CC2[C@]1(C)CC(O)[C@]1(C2CCC2=CC(=O)C=C[C@]12C)F

STL524988
Synonyms: 4- [5- methyl- 3- (5- methylfuran- 2- yl)- 1- benzofuran- 2- yl]- 2- phenylbutan- 2- ol
Smiles: Cc1ccc(o1)c1c(CCC(c2ccccc2)(O)C)oc2c1cc(C)cc2

STL524989
Synonyms: (1R,5R)- N- [(2Z)- 2- cyano- 3- (4- methoxyphenyl)prop- 2- enoyl]- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocine- 3(4H)- carboxamide
Smiles: COc1ccc(cc1)/C=C(\C(=O)NC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)/C#N

STL524990
Synonyms: methyl(2Z,5xi,9xi,13xi,17xi,18xi)- 2- (4- bromobenzylidene)- 3- oxolup- 20(29)- en- 28- oate
Smiles: COC(=O)C12CC[C@H](C2C2[C@](CC1)(C)[C@]1(C)CCC3[C@](C1CC2)(C)C/C(=C/c1ccc(cc1)Br)/C(=O)C3(C)C)C(=C)C

STL524991
Synonyms: 1- benzyl- 5- (2,4- dimethoxybenzyl)- 5- {[(1S,5R)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]methyl}pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: COc1ccc(c(c1)OC)CC1(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)C(=O)NC(=O)N(C1=O)Cc1ccccc1

STL524992
Synonyms: 4- methyl- 5- (quinolin- 2- ylmethyl)furan- 2(5H)- one
Smiles: O=C1C=C(C(O1)Cc1ccc2c(n1)cccc2)C

STL524993
Synonyms: [(6S,10R,13S,17R)- 17- acetyl- 6,17- dihydroxy- 4',4',10,13- tetramethylhexadecahydro- 3'H- spiro[cyclopenta[a]phenanthrene- 3,2'- [1,3]oxazolidin]- 3'- yl]oxidanyl
Smiles: O[C@H]1CC2C([C@@]3(C1CC1(CC3)OCC(N1[O])(C)C)C)CC[C@]1(C2CC[C@]1(O)C(=O)C)C

STL524994
Synonyms:
Smiles: CC(=O)OCC1O[C@H](C(C([C@H]1OC(=O)C)OC(=O)C)OC(=O)C)n1nc(SCCCCSc2nn(c(=O)[nH]c2=O)[C@@H]2OC(COC(=O)C)[C@@H](C(C2OC(=O)C)OC(=O)C)OC(=O)C)c(=O)[nH]c1=O

STL524995
Synonyms: (14xi,17xi,19E)- 19- (cyclohexylimino)- 3,5,14- trihydroxycard- 20(22)- enolide
Smiles: O=C1OCC(=C1)C1CCC2([C@]1(C)CC[C@H]1[C@H]2CCC2([C@@]1(CCC(C2)O)/C=N/C1CCCCC1)O)O

STL524996
Synonyms:
Smiles: CC(=O)OC1C(OC(=O)C)[C@@H](OC([C@@H]1OC(=O)C)COC(c1ccccc1)(c1ccccc1)c1ccccc1)OC1(COC(c2ccccc2)(c2ccccc2)c2ccccc2)OC(C(C1OC(=O)C)OC(=O)C)COC(c1ccccc1)(c1ccccc1)c1ccccc1

STL524997
Synonyms: (8xi,9xi,14xi)- 11,17- dihydroxy- 3,20- dioxopregna- 1,4- dien- 21- ylbenzoate
Smiles: O=C1C=C[C@]2(C(=C1)CCC1C2C(O)C[C@]2(C1CC[C@]2(O)C(=O)COC(=O)c1ccccc1)C)C

STL524998
Synonyms: 2- {[3- (4- ethoxyphenoxy)- 2- methyl- 4- oxo- 4H- chromen- 7- yl]oxy}propanoicacid
Smiles: CCOc1ccc(cc1)Oc1c(C)oc2c(c1=O)ccc(c2)OC(C(=O)O)C

STL524999
Synonyms: (8xi,9xi,14xi)- androst- 5- ene- 3,17- diyldipropanoate
Smiles: CCC(=O)OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3CCC2OC(=O)CC)C)C1)C

STL525000
Synonyms: (2R,4aR,6aS)- 6b- acetyl- 4a,6a- dimethyl- 2,3,4,4a,4b,5,6,6a,6b,7,8,9,10,10a,11,11a,11b,12- octadecahydro- 1H- indeno[2,1- a]phenanthren- 2- ylacetate
Smiles: CC(=O)O[C@@H]1CC[C@]2(C(=CCC3C2CC[C@]2(C3CC3C2(CCCC3)C(=O)C)C)C1)C

STL525001
Synonyms: 8- [(4- methylbenzyl)amino]guanosine
Smiles: OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1c(NCc2ccc(cc2)C)nc2c1nc(N)[nH]c2=O

STL525002
Synonyms: 1- {2- O- [(4- methylphenyl)sulfonyl]pentofuranosyl}pyrimidine- 2,4(1H,3H)- dione
Smiles: OCC1OC(C(C1O)OS(=O)(=O)c1ccc(cc1)C)n1ccc(=O)[nH]c1=O

STL525003
Synonyms: 3- (4- iodophenyl)- 5- (4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium- 5- yl)- 2,6- dioxo- 1,2,3,6- tetrahydropyrimidin- 4- olate
Smiles: COc1c2OCOc2cc2c1C([NH+](CC2)C)c1c(=O)[nH]c(=O)n(c1[O-])c1ccc(cc1)I

STL525004
Synonyms: 6- (benzyloxy)- 1- {3- [(2- fluorophenoxy)methyl]- 4- methoxyphenyl}- 2,3,4,9- tetrahydro- 1H- beta- carboline
Smiles: COc1ccc(cc1COc1ccccc1F)C1NCCc2c1[nH]c1c2cc(cc1)OCc1ccccc1

STL525005
Synonyms: 3- (4- chlorophenoxy)- 2- methyl- 4- oxo- 4H- chromen- 7- ylN- [(benzyloxy)carbonyl]- D- tryptophanate
Smiles: O=C(N[C@@H](C(=O)Oc1ccc2c(c1)oc(c(c2=O)Oc1ccc(cc1)Cl)C)Cc1c[nH]c2c1cccc2)OCc1ccccc1

STL525006
Synonyms: N',N''- (3Z,5alpha,8xi,9xi,14xi,17Z)- androstane- 3,17- diylidenedipyridine- 4- carbohydrazide
Smiles: O=C(c1ccncc1)N/N=C\1/CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CC/C/2=N/NC(=O)c1ccncc1)C)C

STL525007
Synonyms: 4- methoxy- 6- methyl- 5- (2- methyl- 1H- indol- 1- yl)- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinoline
Smiles: COc1c2OCOc2cc2c1C(N(CC2)C)n1c(C)cc2c1cccc2

STL525008
Synonyms: 5- (4- methoxyphenyl)- 2,2- dimethyldihydrofuran- 3(2H)- one
Smiles: COc1ccc(cc1)C1CC(=O)C(O1)(C)C

STL525009
Synonyms: (1R,5R)- 3- [2- hydroxy- 2- (4- nitrophenyl)ethyl]- 1,2,3,4,5,6- hexahydro- 8H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 8- one
Smiles: OC(c1ccc(cc1)[N+](=O)[O-])CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

STL525010
Synonyms: (3S)- 7a- phenyl- 3- (propan- 2- yl)tetrahydropyrrolo[2,1- b][1,3]oxazol- 5(6H)- one
Smiles: CC([C@H]1COC2(N1C(=O)CC2)c1ccccc1)C

STL525011
Synonyms: (10'R,13'S,17'R)- 10',13'- dimethyl- 1',3'',4',4'',7',8',9',10',11',12',13',14',15',16'- tetradecahydro- 2'H,5''H- dispiro[1,3- dioxolane- 2,3'- cyclopenta[a]phenanthrene- 17',2''- furan]- 5''- one
Smiles: O=C1CC[C@]2(O1)CCC1[C@]2(C)CCC2C1CC=C1[C@]2(C)CCC2(C1)OCCO2

STL525012
Synonyms: (4aR,5aS,7aR)- 10- methoxy- 1,1,7a,9,12a- pentamethyl- 2- (beta- D- xylopyranosyloxy)octadecahydrocyclopropa[1',8a']naphtho[2',1':4,5]indeno[2,1- b]pyran- 13- ylbeta- D- glucopyranoside
Smiles: OC[C@H]1O[C@@H](OC2CC3C(C)(C)C(CC[C@@]43[C@]3(C2C2(C)CC5C([C@]2(CC3)C)CC(C(O5)OC)C)C4)O[C@@H]2OC[C@H]([C@@H]([C@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O

STL525013
Synonyms: (4aR,6aS,6bR,9aR)- 6b- cyano- 4a,6a,8,8- tetramethyl- 2,3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11- tetradecahydro- 1H- naphtho[2',1':4,5]indeno[1,2- d][1,3]dioxol- 2- ylacetate
Smiles: N#C[C@@]12OC(O[C@@H]1CC1[C@]2(C)CCC2C1CC=C1[C@]2(C)CCC(C1)OC(=O)C)(C)C

STL525014
Synonyms: 5- (4,5- dimethoxy- 3- oxo- 1,3- dihydro- 2- benzofuran- 1- yl)- 6- hydroxy- 1- (4- methoxybenzyl)pyrimidine- 2,4(1H,3H)- dione
Smiles: COc1ccc(cc1)Cn1c(=O)[nH]c(=O)c(c1O)C1OC(=O)c2c1ccc(c2OC)OC

STL525015
Synonyms: 5- (4,5- dimethoxy- 3- oxo- 1,3- dihydro- 2- benzofuran- 1- yl)- 6- hydroxy- 1- (3- methylphenyl)pyrimidine- 2,4(1H,3H)- dione
Smiles: COc1c(OC)ccc2c1C(=O)OC2c1c(=O)[nH]c(=O)n(c1O)c1cccc(c1)C

STL525016
Synonyms: (9aR)- 1- ethyl- 9,9,9a- trimethyl- 9,9a- dihydro- 1H- imidazo[1,2- a]indol- 2(3H)- one
Smiles: CCN1C(=O)CN2[C@@]1(C)C(C)(C)c1c2cccc1

STL525017
Synonyms: (8xi,9xi,14xi,16xi,17xi,22alpha)- 28- [(4- methylphenyl)sulfonyl]spirosol- 5- en- 3- yl4- methylbenzenesulfonate
Smiles: Cc1ccc(cc1)S(=O)(=O)OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3CC3C2[C@H](C)[C@]2(O3)CCC(CN2S(=O)(=O)c2ccc(cc2)C)C)C)C1)C

STL525018
Synonyms: (7R)- 10- (butylamino)- 1,2,3- trimethoxy- 7- (methylamino)- 6,7- dihydrobenzo[a]heptalen- 9(5H)- one
Smiles: CCCCNc1ccc2c(cc1=O)[C@H](NC)CCc1c2c(OC)c(c(c1)OC)OC

STL525019
Synonyms: N- [2- (3,4- dichloro- 2,5- dioxo- 2,5- dihydro- 1H- pyrrol- 1- yl)propanoyl]norvaline
Smiles: CCCC(C(=O)O)NC(=O)C(N1C(=O)C(=C(C1=O)Cl)Cl)C

STL525020
Synonyms: N- [({[(3Z,8xi,9xi,14xi)- 17- hydroxy- 20- oxopregn- 4- en- 3- ylidene]amino}oxy)acetyl]phenylalanine
Smiles: O=C(NC(C(=O)O)Cc1ccccc1)CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C(=O)C)C)C

STL525021
Synonyms: 5,5- dimethyl- 4- phenyl- 2- (pyridin- 3- yl)- 4,5- dihydro- 1H- imidazol- 4- ol3- oxide
Smiles: [O-][N+]1=C(NC(C1(O)c1ccccc1)(C)C)c1cccnc1

STL525022
Synonyms: N- benzyl- 1- (3,4- dihydro- 1H- isochromen- 1- yl)methanamine
Smiles: c1ccc(cc1)CNCC1OCCc2c1cccc2

STL525023
Synonyms: 8,10- dibromo- 4- (2- methoxyphenyl)- 2,4- dimethyl- 5,6- dihydro- 4H- benzo[d]cyclohepta[1,2- b:3,4- b']difuran
Smiles: COc1ccccc1C1(C)CCc2c(c3c1cc(o3)C)c1c(o2)c(Br)cc(c1)Br

STL525024
Synonyms: 10- chloro- 2,4- dimethyl- 5,6- dihydro- 4H- benzo[d]cyclohepta[1,2- b:3,4- b']difuran
Smiles: Clc1ccc2c(c1)c1c(o2)CCC(c2c1oc(c2)C)C

STL525025
Synonyms: (8xi,9xi,14xi,17alpha)- pregna- 1,4- dien- 20- yne- 3,17- diol
Smiles: C#C[C@]1(O)CCC2[C@]1(C)CCC1C2CCC2=CC(C=C[C@]12C)O

STL525026
Synonyms: (2S)- 6- methoxy- 2- phenyl- 2,3- dihydro- 4H- chromen- 4- one
Smiles: COc1ccc2c(c1)C(=O)C[C@H](O2)c1ccccc1

STL525027
Synonyms: 3- (2,4- dimethoxyphenyl)- 6,7- dimethoxy- 1- (trichloromethyl)- 1H- isochromene
Smiles: COc1ccc(c(c1)OC)C1=Cc2cc(OC)c(cc2C(O1)C(Cl)(Cl)Cl)OC

STL525028
Synonyms: 4- [5- (4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 5- yl)- 1H- tetrazol- 1- yl]- N'- [(E)- phenylmethylidene]benzohydrazide
Smiles: COc1c2OCOc2cc2c1C(N(CC2)C)c1nnnn1c1ccc(cc1)C(=O)N/N=C/c1ccccc1

STL525029
Synonyms: 4- oxo- 1,2,3,4- tetrahydrocyclopenta[c]chromen- 7- ylN- acetylmethioninate
Smiles: CSCCC(C(=O)Oc1ccc2c(c1)oc(=O)c1c2CCC1)NC(=O)C

STL525030
Synonyms: (8xi,9xi,14xi,16xi,17xi)- furosta- 5,20(22)- dien- 3,26- diyldipropanoate
Smiles: CCC(=O)OCC(CCC1=C(C)C2C(O1)CC1[C@]2(C)CCC2C1CC=C1[C@]2(C)CCC(C1)OC(=O)CC)C

STL525031
Synonyms: (1S)- 2,3,4,6- tetra- O- acetyl- 1,5- anhydro- 1- [5,7- bis(acetyloxy)- 2- oxo- 2H- chromen- 6- yl]- D- glucitol
Smiles: CC(=O)OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C)c1c(OC(=O)C)cc2c(c1OC(=O)C)ccc(=O)o2

STL525032
Synonyms: 8- bromo- 10,10- dimethyl- 10a- [(E)- 2- (9- methyl- 9H- carbazol- 3- yl)ethenyl]- 3,4,10,10a- tetrahydropyrimido[1,2- a]indol- 2(1H)- one
Smiles: O=C1CCN2C(N1)(/C=C/c1ccc3c(c1)c1ccccc1n3C)C(C)(C)c1c2ccc(c1)Br

STL525033
Synonyms: 5- (4,5- dimethoxy- 3- oxo- 1,3- dihydro- 2- benzofuran- 1- yl)- 1- (4- ethylphenyl)- 6- hydroxypyrimidine- 2,4(1H,3H)- dione
Smiles: CCc1ccc(cc1)n1c(=O)[nH]c(=O)c(c1O)C1OC(=O)c2c1ccc(c2OC)OC

STL525034
Synonyms: (8xi,14xi,17xi)- 14- hydroxy- 3- (nitrooxy)- 19- oxocard- 20(22)- enolide
Smiles: O=C[C@]12CCC(CC1CCC1[C@@H]2CC[C@]2(C1(O)CCC2C1=CC(=O)OC1)C)O[N+](=O)[O-]

STL525035
Synonyms: (1R,5R)- 3- (5- hydroxy- 5,5- diphenylpent- 2- yn- 1- yl)- 1,2,3,4,5,6- hexahydro- 8H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 8- one
Smiles: O=c1cccc2n1C[C@H]1CN(C[C@@H]2C1)CC#CCC(c1ccccc1)(c1ccccc1)O

STL525036
Synonyms: N- (3,3- dimethyl- 2,3,4,7- tetrahydro- 1H- indolo[2,3- c]quinolin- 1- yl)formamide
Smiles: O=CNC1CC(C)(C)Cc2c1c1c(cn2)[nH]c2c1cccc2

STL525037
Synonyms: 6- [(4- nitrobenzyl)sulfanyl]- 9- (L- ribofuranosyl)- 9H- purine
Smiles: OC[C@@H]1OC([C@H]([C@H]1O)O)n1cnc2c1ncnc2SCc1ccc(cc1)[N+](=O)[O-]

STL525038
Synonyms: N- (3,4- dihydro- 1H- isochromen- 1- ylmethyl)benzamide
Smiles: O=C(c1ccccc1)NCC1OCCc2c1cccc2

STL525039
Synonyms: (8xi,9xi,14xi)- 17- hydroxy- 3,20- dioxopregna- 1,4- diene- 11,21- diyldiacetate
Smiles: CC(=O)OC1C[C@@]2(C)C(C3C1[C@@]1(C)C=CC(=O)C=C1CC3)CC[C@]2(O)C(=O)COC(=O)C

STL525040
Synonyms: 4- hydroxy- 3- [2- (3- hydroxyphenyl)- 2,3- dihydro- 1,5- benzothiazepin- 4- yl]- 6- methyl- 2H- pyran- 2- one
Smiles: Oc1cccc(c1)C1Sc2ccccc2N=C(C1)c1c(O)cc(oc1=O)C

STL525041
Synonyms: (8xi,9xi,14xi)- 20- oxopregna- 5,16- dien- 3- yl3- (piperidin- 1- yl)propanoate
Smiles: O=C(OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3CC=C2C(=O)C)C)C1)C)CCN1CCCCC1

STL525042
Synonyms: 4- methyl- 7- {[1- (4- methylpiperidin- 1- yl)- 1- oxopropan- 2- yl]oxy}- 2H- chromen- 2- one
Smiles: CC1CCN(CC1)C(=O)C(Oc1ccc2c(c1)oc(=O)cc2C)C

STL525043
Synonyms:
Smiles: COC(=O)C(C(C)C)NC(=O)C1O[C@@H](Oc2cc3oc(cc(=O)c3c(c2O)O)c2ccccc2)C(C([C@H]1O)O)O

STL525044
Synonyms: (8xi,9xi,14xi)- 17- (acetyloxy)- 6- methyl- 20- oxopregna- 4,6- dien- 3- yl3- phenylpropanoate
Smiles: O=C(OC1CC[C@]2(C(=C1)C(=CC1C2CC[C@]2(C1CC[C@]2(OC(=O)C)C(=O)C)C)C)C)CCc1ccccc1

STL525045
Synonyms: (8xi,9xi,14xi,16alpha)- 17- hydroperoxy- 16- methyl- 20- oxopregn- 5- en- 3- ylacetate
Smiles: OO[C@]1(C(=O)C)[C@H](C)CC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CCC(C2)OC(=O)C

STL525046
Synonyms: 4- (3- bromo- 4- methoxybenzyl)- 2- [(2xi)- 2,3,5- tri- O- acetyl- D- erythro- pentofuranosyl]- 1,2,4- triazine- 3,5(2H,4H)- dione
Smiles: COc1ccc(cc1Br)Cn1c(=O)cnn(c1=O)C1O[C@@H]([C@H](C1OC(=O)C)OC(=O)C)COC(=O)C

STL525047
Synonyms: 2- hydroxy- 5,5- dimethyl- 1- (morpholin- 4- ylcarbonyl)- 2- (prop- 2- en- 1- yl)- 5,6- dihydropyrrolo[2,1- a]isoquinolin- 3(2H)- one
Smiles: C=CCC1(O)C(=O)N2C(=C1C(=O)N1CCOCC1)c1ccccc1CC2(C)C

STL525048
Synonyms: N,N'- (hexane- 1,6- diylbis{imino[(7S)- 1,2,3- trimethoxy- 9- oxo- 5,6,7,9- tetrahydrobenzo[a]heptalene- 10,7- diyl]})diacetamide
Smiles: COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)NCCCCCCNc2ccc3c(cc2=O)[C@H](CCc2c3c(OC)c(c(c2)OC)OC)NC(=O)C)NC(=O)C)cc(c1OC)OC

STL525049
Synonyms: {[({[(3Z,8xi,9xi,14xi,17xi)- 20- oxopregn- 4- en- 3- ylidene]amino}oxy)acetyl]amino}(phenyl)aceticacid
Smiles: O=C(NC(c1ccccc1)C(=O)O)CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2C(=O)C)C)C

STL525050
Synonyms: (3alpha,8xi,9xi,14xi,16xi,17xi,20xi,22xi)- spirostan- 3- yloctanoate
Smiles: CCCCCCCC(=O)O[C@@H]1CC[C@]2(C(C1)CCC1C2CC[C@]2(C1CC1C2C(C)C2(O1)CCC(CO2)C)C)C

STL525051
Synonyms: 2- (2- methylprop- 1- en- 1- yl)- 1,5- diphenyl- 3- (propan- 2- yl)pentane- 1,5- dione
Smiles: CC(=CC(C(=O)c1ccccc1)C(C(C)C)CC(=O)c1ccccc1)C

STL525052
Synonyms: (3aR,3bR,4aR,5aR)- 3,4,4- trimethyl- 3b,4,4a,5- tetrahydrocyclopropa[4,5]cyclopenta[1,2- d][1,2]oxazol- 5a(3aH)- ol
Smiles: CC1=NO[C@]2([C@@H]1[C@H]1[C@H](C1(C)C)C2)O

STL525053
Synonyms: (1R)- N- (2,4- dichlorophenyl)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocine- 3(4H)- carboxamide
Smiles: Clc1ccc(c(c1)Cl)NC(=O)N1CC2C[C@H](C1)c1n(C2)c(=O)ccc1

STL525054
Synonyms: abieta- 8,11,13- triene- 18- nitrile
Smiles: N#CC1(C)CCCC2(C1CCc1c2ccc(c1)C(C)C)C

STL525055
Synonyms: N- (cyclohexylmethyl)- 4- oxo- 4- [(1R,5R)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]butanamide
Smiles: O=C(CCC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)NCC1CCCCC1

STL525056
Synonyms: 2- [(4aS,4bR,6aS,6bS,9aR,12S)- 4b,12- difluoro- 5- hydroxy- 4a,6a,8,8- tetramethyl- 2- oxo- 2,4a,4b,5,6,6a,9a,10,10a,10b,11,12- dodecahydro- 6bH- naphtho[2',1':4,5]indeno[1,2- d][1,3]dioxol- 6b- yl]- 2- oxoethylacetat
Smiles: CC(=O)OCC(=O)[C@@]12OC(O[C@@H]1CC1[C@]2(C)CC(O)[C@]2(C1C[C@@H](C1=CC(=O)C=C[C@]21C)F)F)(C)C

STL525057
Synonyms: 3- chloro- 2,3- dihydropyrrolo[2,1- b]quinazolin- 9(1H)- one
Smiles: ClC1CCn2c1nc1ccccc1c2=O

STL525058
Synonyms: methylN- {2- [(4- methyl- 2- oxo- 2H- chromen- 7- yl)oxy]propanoyl}- D- isoleucinate
Smiles: CCC([C@H](C(=O)OC)NC(=O)C(Oc1ccc2c(c1)oc(=O)cc2C)C)C

STL525059
Synonyms: 2- methyl- 3- (2- methyl- 1,3- thiazol- 4- yl)- 4- oxo- 4H- chromen- 7- yl2,3,4,6- tetra- O- acetyl- D- glucopyranoside
Smiles: CC(=O)OC[C@H]1OC(Oc2ccc3c(c2)oc(c(c3=O)c2csc(n2)C)C)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C

STL525060
Synonyms: 1- {1- [2- (3,4- dimethoxyphenyl)ethyl]- 5,5- dimethyl- 2- oxo- 3- (propan- 2- yl)imidazolidin- 4- yl}- 1- hydroxy- 3- propan- 2- ylurea
Smiles: COc1cc(CCN2C(=O)N(C(C2(C)C)N(C(=O)NC(C)C)O)C(C)C)ccc1OC

STL525061
Synonyms: (3beta,5beta,8xi,9xi,19E)- 3,5,14- trihydroxy- 19- (phenylimino)card- 20(22)- enolide
Smiles: O=C1OCC(=C1)[C@H]1CC[C@]2([C@]1(C)CCC1C2CC[C@]2([C@@]1(CC[C@@H](C2)O)/C=N/c1ccccc1)O)O

STL525062
Synonyms: 4- methyl- 2- oxo- 2H- chromen- 7- ylN- (tert- butoxycarbonyl)- D- valinate
Smiles: O=C(OC(C)(C)C)N[C@@H](C(=O)Oc1ccc2c(c1)oc(=O)cc2C)C(C)C

STL525063
Synonyms: (8aR,16aS)- 2,3,10,11- tetramethoxy- 5,6,8,8a,13,14,16,16a- octahydropyrazino[2,1- a:5,4- a']diisoquinoline
Smiles: COc1cc2c(cc1OC)CCN1[C@H]2CN2CCc3c([C@H]2C1)cc(c(c3)OC)OC

STL525064
Synonyms: 5- (4,5- dimethoxy- 3- oxo- 1,3- dihydro- 2- benzofuran- 1- yl)- 6- hydroxy- 1- methylpyrimidine- 2,4(1H,3H)- dione
Smiles: COc1c(OC)ccc2c1C(=O)OC2c1c(=O)[nH]c(=O)n(c1O)C

STL525065
Synonyms: N- {[(carboxymethyl)amino](oxo)acetyl}serine
Smiles: OCC(C(=O)O)NC(=O)C(=O)NCC(=O)O

STL525066
Synonyms: 2- oxo- 2- phenylethylN- [(benzyloxy)carbonyl]isoleucylglutaminylleucinate
Smiles: CCC(C(C(=O)NC(C(=O)NC(C(=O)OCC(=O)c1ccccc1)CC(C)C)CCC(=O)N)NC(=O)OCc1ccccc1)C

STL525067
Synonyms: (4R)- 4- (4- methoxyphenyl)- 2,4,10- trimethyl- 5,6- dihydro- 4H- benzo[d]cyclohepta[1,2- b:3,4- b']difuran
Smiles: COc1ccc(cc1)[C@@]1(C)CCc2c(c3c1cc(o3)C)c1c(o2)ccc(c1)C

STL525068
Synonyms: (7S)- 10- (dodecylamino)- 1,2,3- trimethoxy- 7- (methylamino)- 6,7- dihydrobenzo[a]heptalen- 9(5H)- one
Smiles: CCCCCCCCCCCCNc1ccc2c(cc1=O)[C@@H](NC)CCc1c2c(OC)c(c(c1)OC)OC

STL525069
Synonyms: (4aS)- 2,2,4a,7,7- pentamethyl- 1,2,3,4,4a,5,6,7- octahydro- 1,8- naphthyridine
Smiles: CC1(C)CC[C@@]2(C(=NC(CC2)(C)C)N1)C

STL525070
Synonyms: ({[(3Z,8xi,9xi,14xi)- 17- hydroxy- 20- oxopregn- 4- en- 3- ylidene]amino}oxy)aceticacid
Smiles: OC(=O)CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C(=O)C)C)C

STL525071
Synonyms: methylN- (4- oxo- 4- {[(8xi,9xi,14xi)- 3- oxoandrost- 4- en- 17- yl]oxy}butanoyl)tryptophanate
Smiles: COC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)CCC(=O)OC1CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C

STL525072
Synonyms: N- [1- (2,3- dihydro- 1,4- benzodioxin- 2- yl)ethyl]- 3- methoxy- 4- [(2,3,4,6- tetra- O- acetyl- alpha- L- glucopyranosyl)oxy]benzamide
Smiles: COc1cc(ccc1O[C@@H]1O[C@@H](COC(=O)C)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C)C(=O)NC(C1COc2c(O1)cccc2)C

STL525073
Synonyms: 4- {[(8xi,9xi,14xi)- 17- hydroxy- 3,20- dioxopregn- 4- en- 21- yl]oxy}- 4- oxobutanoicacid
Smiles: OC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C

STL525074
Synonyms: ethyl2- ({4- oxo- 3- [4- (propan- 2- yloxy)phenyl]- 4H- chromen- 7- yl}oxy)propanoate
Smiles: CCOC(=O)C(Oc1ccc2c(c1)occ(c2=O)c1ccc(cc1)OC(C)C)C

STL525075
Synonyms: (1R,1'S)- N,N'- (methanediyldibenzene- 4,1- diyl)bis(8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocine- 3(4H)- carboxamide)
Smiles: O=C(N1CC2C[C@@H](C1)c1n(C2)c(=O)ccc1)Nc1ccc(cc1)Cc1ccc(cc1)NC(=O)N1CC2C[C@H](C1)c1n(C2)c(=O)ccc1

STL525076
Synonyms: 10,10- dimethyl- 10a- [(E)- 2- phenylethenyl]- 3,4,10,10a- tetrahydropyrimido[1,2- a]indol- 2(1H)- one
Smiles: O=C1CCN2C(N1)(/C=C/c1ccccc1)C(C)(C)c1c2cccc1

STL525077
Synonyms: methylN- (2- {[6- ethyl- 3- (4- methyl- 1,3- thiazol- 2- yl)- 4- oxo- 4H- chromen- 7- yl]oxy}propanoyl)- D- phenylalaninate
Smiles: COC(=O)[C@@H](Cc1ccccc1)NC(=O)C(Oc1cc2occ(c(=O)c2cc1CC)c1scc(n1)C)C

STL525078
Synonyms: 1- (4- bromophenyl)- 6- methoxy- 2,3,4,9- tetrahydro- 1H- beta- carboline
Smiles: COc1ccc2c(c1)c1CCNC(c1[nH]2)c1ccc(cc1)Br

STL525079
Synonyms: 4- hydroxy- 3- [2- (2- hydroxyphenyl)- 2,3- dihydro- 1,5- benzothiazepin- 4- yl]- 6- methyl- 2H- pyran- 2- one
Smiles: Cc1cc(O)c(c(=O)o1)C1=Nc2ccccc2SC(C1)c1ccccc1O

STL525080
Synonyms: (8xi,9xi,14xi)- androsta- 1,4,6- triene- 3,17- dione
Smiles: O=C1C=C[C@]2(C(=C1)C=CC1C2CC[C@]2(C1CCC2=O)C)C

STL525081
Synonyms: methyl(5xi,9xi,13xi,17xi,18xi,19xi)- 3- oxolup- 20(29)- en- 28- oate
Smiles: COC(=O)C12CCC(C2C2[C@](CC1)(C)[C@]1(C)CCC3[C@](C1CC2)(C)CCC(=O)C3(C)C)C(=C)C

STL525082
Synonyms: 1- (naphthalen- 1- yl)- 2,3,4,9- tetrahydro- 1H- beta- carboline- 3- carboxylicacid
Smiles: OC(=O)C1NC(c2cccc3c2cccc3)c2c(C1)c1ccccc1[nH]2

STL525083
Synonyms: N- {[(4- methyl- 2- oxo- 2H- chromen- 7- yl)oxy]acetyl}- L- leucine
Smiles: CC(C[C@@H](C(=O)O)NC(=O)COc1ccc2c(c1)oc(=O)cc2C)C

STL525084
Synonyms: (8xi,9xi,14xi)- 6,16- dimethylidene- 3,20- dioxopregn- 4- en- 17- ylacetate
Smiles: O=C1CC[C@]2(C(=C1)C(=C)CC1C2CC[C@]2(C1CC(=C)[C@]2(OC(=O)C)C(=O)C)C)C

STL525085
Synonyms: (3alpha,8xi,9xi,14xi,16xi,17xi,20xi,22xi)- spirostan- 3- yl4- methoxybenzoate
Smiles: COc1ccc(cc1)C(=O)O[C@@H]1CC[C@]2(C(C1)CCC1C2CC[C@]2(C1CC1C2C(C)C2(O1)CCC(CO2)C)C)C

STL525086
Synonyms: N- (3,4- dihydro- 1H- isochromen- 1- ylmethyl)- 3- (4- hydroxyphenyl)- 3- phenylpropanamide
Smiles: Oc1ccc(cc1)C(c1ccccc1)CC(=O)NCC1OCCc2c1cccc2

STL525087
Synonyms: 2- [(10R,13S)- 3- hydroxy- 10,13- dimethyl- 2,3,4,7,8,9,10,11,12,13,14,15,16,17- tetradecahydro- 1H- cyclopenta[a]phenanthren- 17- yl]propanoicacid(non- preferredname)
Smiles: OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3CCC2C(C(=O)O)C)C)C1)C

STL525088
Synonyms: (8xi,9xi,14xi,16alpha)- 6- oxoestra- 1,3,5(10)- triene- 3,16,17- triyltriacetate
Smiles: CC(=O)Oc1ccc2c(c1)C(=O)CC1C2CC[C@]2(C1C[C@H](C2OC(=O)C)OC(=O)C)C

STL525089
Synonyms: 2- (4- aminophenyl)butanedioicacid
Smiles: OC(=O)C(c1ccc(cc1)N)CC(=O)O

STL525090
Synonyms: (8xi,9xi,14xi)- 3- (acetyloxy)androst- 5- ene- 17- carboxylicacid
Smiles: CC(=O)OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3CCC2C(=O)O)C)C1)C

STL525091
Synonyms: N- [(5alpha,8xi,9xi,14xi,17beta)- 3- hydroxyandrostan- 17- yl]formamide
Smiles: O=CN[C@H]1CCC2[C@]1(C)CCC1C2CC[C@@H]2[C@]1(C)CCC(C2)O

STL525092
Synonyms: 5- methyl- 4- phenyl- 3,4- dihydro- 2H- chromen- 2- one
Smiles: O=C1Oc2cccc(c2C(C1)c1ccccc1)C

STL525093
Synonyms: methylN- [({[(3E,8xi,9xi,14xi)- 17- hydroxyandrost- 4- en- 3- ylidene]amino}oxy)acetyl]tryptophanate
Smiles: COC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2O)C)C

STL525094
Synonyms: methylN- ({[3- (4- fluorophenyl)- 2- methyl- 4- oxo- 4H- chromen- 7- yl]oxy}acetyl)- D- tyrosinate
Smiles: COC(=O)[C@@H](Cc1ccc(cc1)O)NC(=O)COc1ccc2c(c1)oc(c(c2=O)c1ccc(cc1)F)C

STL525095
Synonyms: (11bR,12R,13E)- 13- (hydroxyimino)- 9,10- dimethoxy- 12- methyl- 2,3,4,6,7,11b,12,13- octahydro- 1H- isoquino[2,1- a]quinolin- 1- one
Smiles: O/N=C\1/C2=C(CCCC2=O)N2[C@H]([C@H]1C)c1cc(OC)c(cc1CC2)OC

STL525096
Synonyms: (1S,5R)- 3- [(5- bromofuran- 2- yl)carbonyl]- 1,2,3,4,5,6- hexahydro- 8H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 8- one
Smiles: Brc1ccc(o1)C(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

STL525097
Synonyms: 2- hydroxy- 5,5- dimethyl- 1- (piperidin- 1- ylcarbonyl)- 2- (prop- 2- en- 1- yl)- 5,6- dihydropyrrolo[2,1- a]isoquinolin- 3(2H)- one
Smiles: C=CCC1(O)C(=O)N2C(=C1C(=O)N1CCCCC1)c1ccccc1CC2(C)C

STL525098
Synonyms: (1S,5S)- 3- [3- (diethylamino)- 2- hydroxypropyl]- 1,2,3,4,5,6- hexahydro- 8H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 8- one
Smiles: CCN(CC(CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)O)CC

STL525099
Synonyms: N- [(3,4- dichloro- 2,5- dioxo- 2,5- dihydro- 1H- pyrrol- 1- yl)acetyl]- L- valine
Smiles: CC([C@@H](C(=O)O)NC(=O)CN1C(=O)C(=C(C1=O)Cl)Cl)C

STL525100
Synonyms: 1- (2- bromophenyl)- 2,3,4,9- tetrahydro- 1H- beta- carboline- 3- carboxylicacid
Smiles: OC(=O)C1NC(c2ccccc2Br)c2c(C1)c1ccccc1[nH]2

STL525101
Synonyms: (7bR,8R)- 8- methyl- 2,3,12,13- tetrahydro- 1H,7bH- pyrrolo[2',1':3,4][1,4]diazepino[1,2- a]quinoline- 9,10(8H,11H)- dione
Smiles: C[C@H]1C(=O)C2=C(N3[C@H]1c1cccn1CCC3)CCCC2=O

STL525102
Synonyms: 1- (2- {[6- ethyl- 3- (4- methyl- 1,3- thiazol- 2- yl)- 4- oxo- 4H- chromen- 7- yl]oxy}propanoyl)- D- prolinamide
Smiles: CCc1cc2c(cc1OC(C(=O)N1CCC[C@@H]1C(=O)N)C)occ(c2=O)c1scc(n1)C

STL525103
Synonyms: {[({[(3Z,8xi,9xi,14xi)- 17- hydroxyandrost- 4- en- 3- ylidene]amino}oxy)acetyl]amino}(phenyl)aceticacid
Smiles: OC1CCC2[C@]1(C)CCC1C2CCC2=C/C(=N\OCC(=O)NC(c3ccccc3)C(=O)O)/CC[C@]12C

STL525104
Synonyms: N- [2- (3,4- dimethoxyphenyl)ethyl]- 2- [4- (propan- 2- yl)phenyl]propanimidamide
Smiles: COc1ccc(cc1OC)CCNC(=N)C(c1ccc(cc1)C(C)C)C

STL525105
Synonyms: 2- [(1R)- 1- [(tert- butoxycarbonyl)amino]- 3- (methylsulfanyl)propyl]- 6- ethyl- 3- (4- methyl- 1,3- thiazol- 2- yl)- 4- oxo- 4H- chromen- 7- ylN- (tert- butoxycarbonyl)- D- methioninate
Smiles: CSCC[C@H](C(=O)Oc1cc2oc([C@H](NC(=O)OC(C)(C)C)CCSC)c(c(=O)c2cc1CC)c1scc(n1)C)NC(=O)OC(C)(C)C

STL525106
Synonyms: (5Z)- 1- (4- bromophenyl)- 5- ({[2- (pyridin- 3- yl)piperidin- 1- yl]amino}methylidene)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: Brc1ccc(cc1)N1C(=O)NC(=O)/C(=C/NN2CCCCC2c2cccnc2)/C1=O

STL525107
Synonyms: N- [2- (furan- 2- ylmethyl)cyclopentyl]- 4- oxo- 4- [(5R)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]butanamide
Smiles: O=C(NC1CCCC1Cc1ccco1)CCC(=O)N1C[C@@H]2CC(C1)c1n(C2)c(=O)ccc1

STL525108
Synonyms: N- (4- oxo- 4- {[(8xi,9xi,14xi)- 3- oxoandrost- 4- en- 17- yl]oxy}butanoyl)phenylalanine
Smiles: O=C(NC(C(=O)O)Cc1ccccc1)CCC(=O)OC1CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C

STL525109
Synonyms:
Smiles: CCN1C[C@]2(C)CC[C@@H]([C@]34C1C(CC23)[C@@]12C4C[C@@H]([C@H](C1)C(=C)[C@H]2OC(=O)c1ccccc1)O)OC(=O)c1ccccc1

STL525110
Synonyms: (8xi,9xi,14xi,16alpha)- 16,17- dimethyl- 20- oxopregn- 5- en- 3- ylacetate
Smiles: CC(=O)OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3C[C@H]([C@]2(C)C(=O)C)C)C)C1)C

STL525111
Synonyms: (8xi,9xi,14xi,16alpha)- 16- methyl- 16,17- epoxypregn- 4- ene- 3,20- dione
Smiles: O=C1CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1C[C@@]1([C@]2(O1)C(=O)C)C)C)C

STL525112
Synonyms: (3alpha,8xi,9xi,14xi,16xi,17xi,20xi,22xi)- spirostan- 3- ylheptanoate
Smiles: CCCCCCC(=O)O[C@@H]1CC[C@]2(C(C1)CCC1C2CC[C@]2(C1CC1C2C(C)C2(O1)CCC(CO2)C)C)C

STL525113
Synonyms: (5S,10S,13S)- 10,13- dimethyl- 17- {3- methyl- 3- [(2- methylpentan- 2- yl)peroxy]but- 1- yn- 1- yl}hexadecahydro- 1H- cyclopenta[a]phenanthrene- 3,17- diyldiacetate(non- preferredname)
Smiles: CCCC(OOC(C#CC1(CCC2[C@]1(C)CCC1C2CC[C@@H]2[C@]1(C)CCC(C2)OC(=O)C)OC(=O)C)(C)C)(C)C

STL525114
Synonyms: 5- (4,5- dimethoxy- 3- oxo- 1,3- dihydro- 2- benzofuran- 1- yl)- 1- hexylpyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCCCCCN1C(=O)NC(=O)C(C1=O)C1OC(=O)c2c1ccc(c2OC)OC

STL525115
Synonyms: 2- (8- methyl- 6- oxo- 1,2,3a,4,5,6- hexahydro- 3H- 3,10b- diazaacephenanthrylen- 3- yl)acetamide
Smiles: NC(=O)CN1CCn2c3C1CCc3c(=O)c1c2ccc(c1)C

STL525116
Synonyms: N'- [(5alpha,8xi,9xi,14xi,17Z)- 3- hydroxyandrostan- 17- ylidene]pyridine- 4- carbohydrazide
Smiles: OC1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CC/C/2=N/NC(=O)c1ccncc1)C)C

STL525117
Synonyms: 3- [3- (2- oxo- 1,3- benzoxazol- 3(2H)- yl)propanoyl]- 1,2,3,4,5,6- hexahydro- 8H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 8- one
Smiles: O=C(N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)CCn1c(=O)oc2c1cccc2

STL525118
Synonyms: methyl(8xi,9xi,14xi)- 21- (acetyloxy)- 3,20- dioxopregna- 1,4,16- triene- 11- carboxylate
Smiles: COC(=O)C1C[C@@]2(C)C(C3C1[C@@]1(C)C=CC(=O)C=C1CC3)CC=C2C(=O)COC(=O)C

STL525119
Synonyms: 5- (1,3- benzodioxol- 5- ylmethyl)- 1- (4- methoxyphenyl)- 5- {[(1S,5R)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]methyl}pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: COc1ccc(cc1)N1C(=O)NC(=O)C(C1=O)(CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cc1ccc2c(c1)OCO2

STL525120
Synonyms: methylN- [({[(3Z,8xi,9xi,14xi)- 17- hydroxyandrost- 4- en- 3- ylidene]amino}oxy)acetyl]tyrosinate
Smiles: COC(=O)C(Cc1ccc(cc1)O)NC(=O)CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2O)C)C

STL525121
Synonyms: N- [4- (2,4- dimethoxyphenyl)butan- 2- yl]- 3- phenylpropanamide
Smiles: COc1cc(OC)ccc1CCC(NC(=O)CCc1ccccc1)C

STL525122
Synonyms: (8xi,9xi,14xi)- 17- hydroxy- 3,11,20- trioxopregna- 1,4- dien- 21- ylbenzoate
Smiles: O=C1C=C[C@]2(C(=C1)CCC1C2C(=O)C[C@]2(C1CC[C@]2(O)C(=O)COC(=O)c1ccccc1)C)C

STL525123
Synonyms: 2- chloro- 1,4,4a,7,8,13,13b,13c- octahydro- 5H- benzo[1,2]indolizino[8,7- b]indol- 5- one
Smiles: ClC1=CCC2C(C1)C1N(C2=O)CCc2c1[nH]c1c2cccc1

STL525124
Synonyms: 7,8- dimethoxy- 3,4- dihydro- 2H- [1,3]oxazino[2,3- a]isoindol- 6(10bH)- one
Smiles: COc1c(OC)ccc2c1C(=O)N1C2OCCC1

STL525125
Synonyms: (7S)- 1,2,3- trimethoxy- 10- [(2- methoxybenzyl)amino]- 7- (methylamino)- 6,7- dihydrobenzo[a]heptalen- 9(5H)- one
Smiles: CN[C@H]1CCc2c(c3c1cc(=O)c(cc3)NCc1ccccc1OC)c(OC)c(c(c2)OC)OC

STL525126
Synonyms: 1- [(8xi,9xi,14xi,16alpha,17alpha)- 3- hydroxy- 16,17- epoxyandrost- 5- en- 16- yl]ethanone
Smiles: OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3C[C@@]3([C@H]2O3)C(=O)C)C)C1)C

STL525127
Synonyms: (1R,9aR)- octahydro- 2H- quinolizin- 1- ylmethyl2- chlorobenzoate
Smiles: O=C(c1ccccc1Cl)OC[C@@H]1CCCN2[C@@H]1CCCC2

STL525128
Synonyms: 7- aminodecanoicacid
Smiles: CCCC(CCCCCC(=O)O)N

STL525129
Synonyms: 6- methoxy- 1- pentadecyl- 4,4a,9,9a- tetrahydro- 3H- beta- carboline
Smiles: CCCCCCCCCCCCCCCC1=NCCC2C1Nc1c2cc(cc1)OC

STL525130
Synonyms: 8- (6,7- dimethyl- 4- oxo- 3,4- dihydro- 2H- chromen- 2- yl)- 4H- 1,3- benzodioxine- 6- carboxylicacid
Smiles: OC(=O)c1cc2COCOc2c(c1)C1CC(=O)c2c(O1)cc(c(c2)C)C

STL525131
Synonyms: 6- (benzyloxy)- 1- {4- methoxy- 3- [(2,4,6- tribromophenoxy)methyl]phenyl}- 2,3,4,9- tetrahydro- 1H- beta- carboline
Smiles: COc1ccc(cc1COc1c(Br)cc(cc1Br)Br)C1NCCc2c1[nH]c1c2cc(cc1)OCc1ccccc1

STL525132
Synonyms: 5- methoxy- 1,3,3- trimethyl- 1,3- dihydrospiro[indole- 2,3'- [1,4]oxazino[3,2- f]quinoline]
Smiles: COc1ccc2c(c1)C(C)(C)C1(N2C)C=Nc2c(O1)ccc1c2cccn1

STL525133
Synonyms: (4aR,6aR)- 4a,6a- dimethyl- 8- (6- methylheptan- 2- yl)- 1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11- hexadecahydrochrysen- 2- yl{[3- (3,4- dihydro- 2H- 1,5- benzodioxepin- 7- yl)- 2- methyl- 4- oxo- 4H- chromen- 7- yl]oxy}aceta
Smiles: CC(CCCC(C1CCC2[C@](C1)(C)CCC1C2CC=C2[C@]1(C)CCC(C2)OC(=O)COc1ccc2c(c1)oc(c(c2=O)c1ccc2c(c1)OCCCO2)C)C)C

STL525134
Synonyms: 4- hydroxy- 3- [2- (2- hydroxy- 5- methoxyphenyl)- 2,3- dihydro- 1,5- benzothiazepin- 4- yl]- 6- methyl- 2H- pyran- 2- one
Smiles: COc1ccc(c(c1)C1Sc2ccccc2N=C(C1)c1c(O)cc(oc1=O)C)O

STL525135
Synonyms: 4- hydroxy- 3- [7- (3- methoxyphenyl)- 2,3,6,7- tetrahydro- 1,4- thiazepin- 5- yl]- 6- methyl- 2H- pyran- 2- one
Smiles: COc1cccc(c1)C1SCCN=C(C1)c1c(O)cc(oc1=O)C

STL525136
Synonyms: N- (1- hydroxy- 1- phenylpropan- 2- yl)- beta- alanine
Smiles: CC(C(c1ccccc1)O)NCCC(=O)O

STL525137
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1ccc3c(c1)OCO3)C[C@@H]1[C@](C2)(C)CCCC1=C

STL525138
Synonyms: (8xi,9xi,14xi)- 11,17- dihydroxy- 3,20- dioxopregna- 1,4- dien- 21- ylheptanoate
Smiles: CCCCCCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)C=C[C@]12C

STL525139
Synonyms: 3,3',3''- (8a- hydroxy- 2- oxohexahydro- 2H- chromene- 4a,8,8(5H)- triyl)tripropanoicacid
Smiles: OC(=O)CCC1(CCCC2(C1(O)OC(=O)CC2)CCC(=O)O)CCC(=O)O

STL525140
Synonyms: methyl(5xi,9xi,18xi)- 3,11- dioxoolean- 12- en- 30- oate
Smiles: COC(=O)[C@@]1(C)CC[C@]2(C(C1)C1=CC(=O)C3[C@@]([C@@]1(CC2)C)(C)CCC1[C@]3(C)CCC(=O)C1(C)C)C

STL525141
Synonyms: ethyl5- fluoro- 3- ({[(1S,5S)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]acetyl}amino)- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CN1C[C@H]3C[C@@H](C1)c1n(C3)c(=O)ccc1)cc(cc2)F

STL525142
Synonyms: N- [({[(3E,8xi,9xi,14xi,17xi)- 20- oxopregn- 4- en- 3- ylidene]amino}oxy)acetyl]tryptophan
Smiles: O=C(NC(C(=O)O)Cc1c[nH]c2c1cccc2)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2C(=O)C)C)C

STL525143
Synonyms: (5alpha,8xi,9xi,14xi,16xi,17xi)- 12- oxofurost- 20(22)- en- 3,26- diyldiacetate
Smiles: CC(CCC1=C(C)C2C(O1)CC1[C@]2(C)C(=O)CC2C1CC[C@@H]1[C@]2(C)CCC(C1)OC(=O)C)COC(=O)C

STL525144
Synonyms: methyl4- hydroxy- 1- [({[(3E,8xi,9xi,14xi)- 17- hydroxyandrost- 4- en- 3- ylidene]amino}oxy)acetyl]prolinate
Smiles: COC(=O)C1CC(CN1C(=O)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2O)C)C)O

STL525145
Synonyms: N- {[(2- oxo- 2H- chromen- 7- yl)oxy]acetyl}valine
Smiles: O=C(NC(C(=O)O)C(C)C)COc1ccc2c(c1)oc(=O)cc2

STL525146
Synonyms: (11aS)- 5- (4- methoxyphenyl)- 2- (prop- 2- en- 1- yl)- 3- thioxo- 2,3,5,6,11,11a- hexahydro- 1H- imidazo[1',5':1,6]pyrido[3,4- b]indol- 1- one
Smiles: C=CCN1C(=O)[C@H]2N(C1=S)C(c1ccc(cc1)OC)c1c(C2)c2ccccc2[nH]1

STL525147
Synonyms: 1- [({[(3Z,8xi,9xi,14xi,17xi)- 20- oxopregn- 4- en- 3- ylidene]amino}oxy)acetyl]proline
Smiles: O=C(N1CCCC1C(=O)O)CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2C(=O)C)C)C

STL525148
Synonyms: (1R,5R)- 3- (phenoxyacetyl)- 1,2,3,4,5,6- hexahydro- 8H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 8- one
Smiles: O=C(N1C[C@H]2C[C@H](C1)c1n(C2)c(=O)ccc1)COc1ccccc1

STL525149
Synonyms: 4- methyl- 2- oxo- 2H- chromen- 7- yl(2R)- 2- (1,3- dioxo- 1,3- dihydro- 2H- isoindol- 2- yl)- 3- phenylpropanoate
Smiles: O=C([C@H](N1C(=O)c2c(C1=O)cccc2)Cc1ccccc1)Oc1ccc2c(c1)oc(=O)cc2C

STL525150
Synonyms: 3- (6,7- dimethoxy- 1,2,3,4- tetrahydroisoquinolin- 1- yl)phenol
Smiles: COc1cc2c(cc1OC)CCNC2c1cccc(c1)O

STL525151
Synonyms: 1,4- dioxo- 1,4- dihydronaphthalen- 2- yl2,3,4,6- tetra- O- acetyl- alpha- D- galactopyranoside
Smiles: CC(=O)OC[C@H]1O[C@H](OC2=CC(=O)c3c(C2=O)cccc3)[C@@H]([C@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C

STL525152
Synonyms: (3alpha,8xi,9xi,14xi,16xi,17xi,20xi)- 26- (acetylamino)- 22- ethoxyfurost- 5- en- 3- ylacetate
Smiles: CCOC1(CCC(CNC(=O)C)C)OC2C(C1C)[C@@]1(C(C2)C2CC=C3[C@](C2CC1)(C)CC[C@H](C3)OC(=O)C)C

STL525153
Synonyms: 2- (2- chloroethoxy)ethyl2- (acetylamino)- 2- deoxy- beta- D- glucopyranoside
Smiles: ClCCOCCO[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1NC(=O)C)O)O

STL525154
Synonyms: 5- hydroxy- 1,4- dioxo- 1,4- dihydronaphthalen- 2- yl2,3,4,6- tetra- O- acetylhexopyranoside
Smiles: CC(=O)OCC1OC(OC2=CC(=O)c3c(C2=O)cccc3O)C(C(C1OC(=O)C)OC(=O)C)OC(=O)C

STL525155
Synonyms: 9- (L- ribofuranosyl)- 8- sulfanyl- 1,9- dihydro- 6H- purin- 6- one
Smiles: OC[C@@H]1OC([C@H]([C@H]1O)O)n1c(S)nc2c1nc[nH]c2=O

STL525156
Synonyms: (5alpha,8xi,9xi,14xi,16alpha)- 17- hydroperoxy- 16- methyl- 20- oxopregnan- 3- ylacetate
Smiles: OO[C@]1(C(=O)C)[C@H](C)CC2[C@]1(C)CCC1C2CC[C@@H]2[C@]1(C)CCC(C2)OC(=O)C

STL525157
Synonyms: N- {2- [(2- oxo- 4- phenyl- 2H- chromen- 7- yl)oxy]propanoyl}- D- glutamicacid
Smiles: OC(=O)CC[C@H](C(=O)O)NC(=O)C(Oc1ccc2c(c1)oc(=O)cc2c1ccccc1)C

STL525158
Synonyms: 2- [(4S,5S)- 3,4- dimethyl- 5- phenyl- 1,3- oxazolidin- 2- yl]phenol
Smiles: C[C@H]1[C@@H](OC(N1C)c1ccccc1O)c1ccccc1

STL525159
Synonyms: ethyl(2R,3S)- 2- methyl- 3- [4- (propan- 2- yloxy)phenyl]oxirane- 2- carboxylate
Smiles: CCOC(=O)[C@]1(C)O[C@H]1c1ccc(cc1)OC(C)C

STL525160
Synonyms: (3alpha,5alpha,8xi,9xi,14xi,17alpha)- 3- azidoandrostan- 17- ol
Smiles: [N-]=[N+]=N[C@@H]1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CC[C@H]2O)C)C

STL525161
Synonyms: 1- hexyl- 2,3,4,9- tetrahydro- 1H- beta- carboline- 3- carbaldehyde
Smiles: CCCCCCC1NC(C=O)Cc2c1[nH]c1c2cccc1

STL525162
Synonyms: 4- {[(8xi,9xi,14xi)- 17- hydroxy- 3,11,20- trioxopregn- 4- en- 21- yl]oxy}- 4- oxobutanoicacid
Smiles: OC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(=O)C1C2CCC2=CC(=O)CC[C@]12C

STL525163
Synonyms: (8xi,14xi,16alpha)- 9- fluoro- 17- hydroperoxy- 16- methyl- 3,20- dioxopregna- 1,4- diene- 11,21- diyldiacetate
Smiles: OO[C@@]1([C@H](C)CC2[C@]1(C)CC(OC(=O)C)[C@]1(C2CCC2=CC(=O)C=C[C@]12C)F)C(=O)COC(=O)C

STL525164
Synonyms: N- (phenoxycarbonyl)- D- alanylphenylalanyl- D- leucyl- L- arginine
Smiles: CC(C[C@H](C(=O)N[C@H](C(=O)O)CCCNC(=N)N)NC(=O)C(NC(=O)[C@H](NC(=O)Oc1ccccc1)C)Cc1ccccc1)C

STL525165
Synonyms: 1'- propyl- 2,3,4,9- tetrahydrospiro[beta- carboline- 1,4'- piperidine]- 3- carboxylicacid
Smiles: CCCN1CCC2(CC1)NC(Cc1c2[nH]c2c1cccc2)C(=O)O

STL525166
Synonyms: (3S,10S,13S,17S)- 10,13,17- trimethylhexadecahydrospiro[cyclopenta[a]phenanthrene- 3,2'- thiiran]- 17- ol
Smiles: C[C@]12CC[C@]3(CC1CCC1C2CC[C@]2(C1CC[C@]2(C)O)C)CS3

STL525167
Synonyms: (7S)- 1,2,3- trimethoxy- 7- (methylamino)- 10- [(2,2,6,6- tetramethylpiperidin- 4- yl)amino]- 6,7- dihydrobenzo[a]heptalen- 9(5H)- one
Smiles: CN[C@H]1CCc2c(c3c1cc(=O)c(cc3)NC1CC(C)(C)NC(C1)(C)C)c(OC)c(c(c2)OC)OC

STL525168
Synonyms: (4aR,6aS)- 9- acetyl- 4a,6a,7- trimethyl- 1,2,3,4,4a,4b,5,6,6a,9,10,10a,10b,11- tetradecahydronaphtho[2',1':4,5]indeno[2,1- c]pyrazol- 2- ylacetate
Smiles: CC(=O)OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3Cc3c2c(C)nn3C(=O)C)C)C1)C

STL525169
Synonyms: ethyl(3alpha,8xi,12alpha,17xi,20S)- 3,12- dihydroxycholan- 24- oate
Smiles: CCOC(=O)CC[C@@H](C1CC[C@@H]2[C@]1(C)[C@@H](O)C[C@H]1C2CCC2[C@]1(C)CC[C@H](C2)O)C

STL525170
Synonyms: N- cyclohexyl- 9- pentofuranosyl- 9H- purin- 6- amine
Smiles: OCC1OC(C(C1O)O)n1cnc2c1ncnc2NC1CCCCC1

STL525171
Synonyms: (7S)- 10- [(3,5- dimethoxybenzyl)amino]- 1,2,3- trimethoxy- 7- (methylamino)- 6,7- dihydrobenzo[a]heptalen- 9(5H)- one
Smiles: COc1cc(CNc2ccc3c(cc2=O)[C@@H](NC)CCc2c3c(OC)c(c(c2)OC)OC)cc(c1)OC

STL525172
Synonyms: 4- ({[2- (2,2- dimethyltetrahydro- 2H- pyran- 4- yl)ethyl]amino}methyl)- 2- methoxyphenol
Smiles: COc1cc(CNCCC2CCOC(C2)(C)C)ccc1O

STL525173
Synonyms: 6- butyl- 3- (2- methyl- 1,3- thiazol- 4- yl)- 4- oxo- 4H- chromen- 7- ylD- valinate
Smiles: CCCCc1cc2c(cc1OC(=O)[C@@H](C(C)C)N)occ(c2=O)c1csc(n1)C

STL525174
Synonyms: (8xi,9xi,14xi)- 17- hydroxy- 20- oxopregn- 5- ene- 3,21- diyldiacetate
Smiles: CC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CCC(C2)OC(=O)C

STL525175
Synonyms: 4- {[(8xi,9xi,14xi,17xi)- 3,20- dioxopregn- 4- en- 21- yl]oxy}- 4- oxobutanoicacid
Smiles: OC(=O)CCC(=O)OCC(=O)C1CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C

STL525176
Synonyms: S- [(3S,10R,13R)- 10,13- dimethyl- 17- octyl- 2,3,4,7,8,9,10,11,12,13,14,15,16,17- tetradecahydro- 1H- cyclopenta[a]phenanthren- 3- yl]2- bromohexanethioate(non- preferredname)
Smiles: CCCCCCCCC1CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CC[C@@H](C2)SC(=O)C(CCCC)Br

STL525177
Synonyms: 4- hydroxy- 3- [2- (4- methoxyphenyl)- 2,3- dihydro- 1,5- benzothiazepin- 4- yl]- 6- methyl- 2H- pyran- 2- one
Smiles: COc1ccc(cc1)C1Sc2ccccc2N=C(C1)c1c(O)cc(oc1=O)C

STL525178
Synonyms: (11aS)- 5- (4- hydroxyphenyl)- 2- (prop- 2- en- 1- yl)- 3- thioxo- 2,3,5,6,11,11a- hexahydro- 1H- imidazo[1',5':1,6]pyrido[3,4- b]indol- 1- one
Smiles: C=CCN1C(=S)N2[C@H](C1=O)Cc1c(C2c2ccc(cc2)O)[nH]c2c1cccc2

STL525179
Synonyms: (4aR,6aS,10aR)- 6b- acetyl- 4a,6a- dimethyl- 2,3,4,4a,4b,5,6,6a,6b,7,8,9,10,10a,11,11a,11b,12- octadecahydro- 1H- indeno[2,1- a]phenanthren- 2- yl4- methylbenzenesulfonate
Smiles: Cc1ccc(cc1)S(=O)(=O)OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3C[C@@H]3C2(CCCC3)C(=O)C)C)C1)C

STL525180
Synonyms: (2E)- 2- [(5alpha,6E,8xi,10xi,13xi,17xi,25xi)- 3,20- dihydroxycevan- 6- ylidene]hydrazinecarboxamide
Smiles: OC1CCC2([C@H](C1)/C(=N/NC(=O)N)/CC1[C@@H]2C[C@@H]2[C@H]1CCC1C2CN2CC(C)CC[C@H]2[C@@]1(C)O)C

STL525181
Synonyms: N- [({[(3Z,8xi,9xi,14xi,17alpha)- 17- hydroxyandrostan- 3- ylidene]amino}oxy)acetyl]glycyltryptophan
Smiles: O=C(NCC(=O)NC(C(=O)O)Cc1c[nH]c2c1cccc2)CO/N=C\1/CC[C@]2(C(C1)CCC1C2CC[C@]2(C1CC[C@H]2O)C)C

STL525182
Synonyms: 5- (1,3- benzodioxol- 5- ylmethyl)- 1- benzyl- 5- {[(1S,5R)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]methyl}pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: O=C1NC(=O)C(C(=O)N1Cc1ccccc1)(CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cc1ccc2c(c1)OCO2

STL525183
Synonyms: methylN- [({[(3E,8xi,9xi,14xi)- 17- hydroxypregn- 4- en- 20- yn- 3- ylidene]amino}oxy)acetyl]tryptophanate
Smiles: COC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C#C)C)C

STL525184
Synonyms:
Smiles: CC1CCCN(C1)CC1C(=O)O[C@H]2[C@H]1CC[C@@]1(C2=C(C)C(=O)C=C1)C

STL525185
Synonyms: (3S,10R,13R)- 10,13- dimethyl- 17- octyl- 2,3,4,7,8,9,10,11,12,13,14,15,16,17- tetradecahydro- 1H- cyclopenta[a]phenanthren- 3- yl4- hexylphenylcarbonate(non- preferredname)
Smiles: CCCCCCCCC1CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CC[C@@H](C2)OC(=O)Oc1ccc(cc1)CCCCCC

STL525186
Synonyms: 5- (4- ethoxybenzyl)- 5- {[(1R,5R)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]methyl}- 1- (prop- 2- en- 1- yl)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: C=CCN1C(=O)NC(=O)C(C1=O)(CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cc1ccc(cc1)OCC

STL525187
Synonyms: (5alpha,6beta,8xi,9xi,14xi)- 5- bromo- 3- hydroxy- 6,19- epoxyandrostan- 17- one
Smiles: OC1CC[C@]23[C@@](C1)(Br)[C@@H](OC2)CC1C3CC[C@]2(C1CCC2=O)C

STL525188
Synonyms: 3- [2- (5- bromo- 2- hydroxyphenyl)- 2,3- dihydro- 1,5- benzothiazepin- 4- yl]- 4- hydroxy- 6- methyl- 2H- pyran- 2- one
Smiles: Brc1ccc(c(c1)C1Sc2ccccc2N=C(C1)c1c(O)cc(oc1=O)C)O

STL525189
Synonyms: methylN- {[(4- methyl- 2- oxo- 2H- chromen- 7- yl)oxy]acetyl}- D- isoleucinate
Smiles: CCC([C@H](C(=O)OC)NC(=O)COc1ccc2c(c1)oc(=O)cc2C)C

STL525190
Synonyms: 5- (4,5- dimethoxy- 3- oxo- 1,3- dihydro- 2- benzofuran- 1- yl)- 6- hydroxy- 1- (2- methoxyphenyl)pyrimidine- 2,4(1H,3H)- dione
Smiles: COc1c(OC)ccc2c1C(=O)OC2c1c(=O)[nH]c(=O)n(c1O)c1ccccc1OC

STL525191
Synonyms: (1S,5R)- 3- [(4- methoxyphenyl)acetyl]- 1,2,3,4,5,6- hexahydro- 8H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 8- one
Smiles: COc1ccc(cc1)CC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

STL525192
Synonyms: ethylN- (pyridin- 3- ylcarbonyl)glycylmethioninate
Smiles: CSCCC(C(=O)OCC)NC(=O)CNC(=O)c1cccnc1

STL525193
Synonyms: 3- (8,8- dimethyl- 9- oxa- 2- azaspiro[5.5]undec- 2- yl)propanenitrile
Smiles: N#CCCN1CCCC2(C1)CCOC(C2)(C)C

STL525194
Synonyms: (9aS)- 9a- [(E)- 2- (3,4- dimethoxyphenyl)ethenyl]- 9,9- dimethyl- 9,9a- dihydro- 1H- imidazo[1,2- a]indol- 2(3H)- one
Smiles: COc1cc(ccc1OC)/C=C/[C@]12NC(=O)CN1c1c(C2(C)C)cccc1

STL525195
Synonyms: N- (4- {[(8xi,9xi,14xi)- 11,17- dihydroxy- 3,20- dioxopregn- 4- en- 21- yl]oxy}- 4- oxobutanoyl)alanylnorvaline
Smiles: CCCC(C(=O)O)NC(=O)C(NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)CC[C@]12C)C

STL525196
Synonyms: ethyl3- hydroxy- 4,6- dimethoxy- 2- oxo- 2,3- dihydro- 1H- indole- 3- carboxylate
Smiles: CCOC(=O)C1(O)C(=O)Nc2c1c(OC)cc(c2)OC

STL525197
Synonyms: (6aR,6bS,11aS,12S)- 12- (2,2- dimethylpropanoyl)- 6a,6b,10,11,11a,12- hexahydro- 8,11- epoxyoxepino[4',5':3,4]pyrrolo[1,2- a]quinolin- 7(8H)- one
Smiles: O=C1C2OCC(O2)[C@H]2[C@H]1[C@H]1C=Cc3c(N1[C@@H]2C(=O)C(C)(C)C)cccc3

STL525198
Synonyms: (8xi,9xi,10xi,14xi)- 3- oxoestr- 4- en- 17- ylacetate
Smiles: CC(=O)OC1CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CCC12

STL525199
Synonyms: methyl4- {[(4E)- 5- (4- methoxyphenyl)- 3- oxo- 1- phenylpent- 4- en- 1- yl]amino}benzoate
Smiles: COc1ccc(cc1)/C=C/C(=O)CC(c1ccccc1)Nc1ccc(cc1)C(=O)OC

STL525200
Synonyms: (1S,3R,4R,6R)- 3,7,7- trimethyl- 4- (phenylsulfanyl)bicyclo[4.1.0]heptane- 3- thiol
Smiles: C[C@@]1(S)C[C@H]2[C@@H](C[C@H]1Sc1ccccc1)C2(C)C

STL525201
Synonyms: (4aS,6aS,12aS)- 4a,6a,7- trimethyl- 1,2,3,4,4a,4b,5,6,6a,9,10,10a,10b,11,12,12a- hexadecahydronaphtho[2',1':4,5]indeno[2,1- c]pyrazol- 2- ol
Smiles: OC1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1Cc1c2c(C)n[nH]1)C)C

STL525202
Synonyms: methyl(2R)- 2- [3- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 2- methyl- 4- oxo- 4H,8H- chromeno[8,7- e][1,3]oxazin- 9(10H)- yl]- 4- methylpentanoate
Smiles: COC(=O)[C@H](N1COc2c(C1)c1oc(C)c(c(=O)c1cc2)c1ccc2c(c1)OCCO2)CC(C)C

STL525203
Synonyms: 1- [(1S)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]- 9- [(1S,5S)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]nonane- 3,7- dione
Smiles: O=C(CCN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)CCCC(=O)CCN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

STL525204
Synonyms: (5alpha,8xi,14xi,16xi,17xi)- spirost- 9(11)- en- 3- ylacetate
Smiles: CC1CC[C@@]2(OC1)OC1C([C@@H]2C)[C@@]2(C(C1)C1CC[C@@H]3[C@](C1=CC2)(C)CCC(C3)OC(=O)C)C

STL525205
Synonyms: (4aR,6aR)- 4a,6a- dimethyl- 8- (6- methylheptan- 2- yl)- 1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11- hexadecahydrochrysen- 2- yl[(2- oxo- 4- phenyl- 2H- chromen- 7- yl)oxy]acetate
Smiles: CC(CCCC(C1CCC2[C@](C1)(C)CCC1C2CC=C2[C@]1(C)CCC(C2)OC(=O)COc1ccc2c(c1)oc(=O)cc2c1ccccc1)C)C

STL525206
Synonyms: (8xi,9xi,14xi,16alpha)- 17- hydroxy- 16- methyl- 20- oxopregn- 5- en- 3- ylacetate
Smiles: CC(=O)OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3C[C@H]([C@]2(O)C(=O)C)C)C)C1)C

STL525207
Synonyms: 2,2'- {[3- (2,5,5- trimethyl- 3,4,4a,10b- tetrahydro- 2H,5H- pyrano[3,2- c]chromen- 2- yl)prop- 2- yn- 1- yl]imino}diethanol
Smiles: OCCN(CC#CC1(C)CCC2C(O1)c1ccccc1OC2(C)C)CCO

STL525208
Synonyms: 2,2'- [butane- 1,4- diylbis(oxybenzene- 4,1- diyl)]dibutanedioicacid
Smiles: OC(=O)C(c1ccc(cc1)OCCCCOc1ccc(cc1)C(C(=O)O)CC(=O)O)CC(=O)O

STL525209
Synonyms: 10,10- dimethyl- 10a- [(E)- 2- (9- methyl- 9H- carbazol- 3- yl)ethenyl]- 3,4,10,10a- tetrahydropyrimido[1,2- a]indol- 2(1H)- one
Smiles: O=C1CCN2C(N1)(/C=C/c1ccc3c(c1)c1ccccc1n3C)C(C)(C)c1c2cccc1

STL525210
Synonyms: 3- [1- (prop- 2- yn- 1- yl)piperidin- 2- yl]pyridine
Smiles: C#CCN1CCCCC1c1cccnc1

STL525211
Synonyms: (8xi,9xi,14xi,16alpha)- 16- phenyl- 17- (phenylcarbonyl)androst- 5- en- 3- ylacetate
Smiles: CC(=O)OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3C[C@H](C2C(=O)c2ccccc2)c2ccccc2)C)C1)C

STL525212
Synonyms: methylN,O- bis(tert- butoxycarbonyl)tyrosyl- L- alanylglycyl- L- valinate
Smiles: COC(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)C(Cc1ccc(cc1)OC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C

STL525213
Synonyms: tyrosylalanylvalylglycyltyrosylleucylprolinamide
Smiles: CC(CC(C(=O)N1CCCC1C(=O)N)NC(=O)C(Cc1ccc(cc1)O)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(NC(=O)C(Cc1ccc(cc1)O)N)C)C

STL525214
Synonyms: N,N~3~- bis(1- phenylpropan- 2- yl)- beta- alaninamide
Smiles: CC(Cc1ccccc1)NCCC(=O)NC(Cc1ccccc1)C

STL525215
Synonyms: 4- [2- (benzylamino)ethyl]- 2- ethyl- 2- methyltetrahydro- 2H- pyran- 4- ol
Smiles: CCC1(C)OCCC(C1)(O)CCNCc1ccccc1

STL525216
Synonyms: (2E)- 2- [(5alpha,8xi,9xi,14xi,17E)- 3- hydroxyandrostan- 17- ylidene]hydrazinecarboxamide
Smiles: OC1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CC/C/2=N\NC(=O)N)C)C

STL525217
Synonyms: 3- (4- chlorophenoxy)- 2- methyl- 4- oxo- 4H- chromen- 7- ylN- [(benzyloxy)carbonyl]valinate
Smiles: O=C(NC(C(=O)Oc1ccc2c(c1)oc(c(c2=O)Oc1ccc(cc1)Cl)C)C(C)C)OCc1ccccc1

STL525218
Synonyms: 10,10- dimethyl- 10a- [(E)- 2- (naphthalen- 1- yl)ethenyl]- 3,4,10,10a- tetrahydropyrimido[1,2- a]indol- 2(1H)- one
Smiles: O=C1CCN2C(N1)(/C=C/c1cccc3c1cccc3)C(C)(C)c1c2cccc1

STL525219
Synonyms: (3'E)- 3'- (4- fluorobenzylidene)- 2- (4- fluorophenyl)- 8a- hydroxyhexahydro- 2'H,4H- spiro[chromene- 3,1'- cyclopentan]- 2'- one
Smiles: Fc1ccc(cc1)/C=C/1\CCC2(C1=O)CC1CCCCC1(OC2c1ccc(cc1)F)O

STL525220
Synonyms: 4- {[(2E)- 3- methyl- 5- (2,2,5,5- tetramethyl- 1,3- dioxolan- 4- yl)pent- 2- en- 1- yl]oxy}quinolin- 2(1H)- one
Smiles: C/C(=C\COc1cc(=O)[nH]c2c1cccc2)/CCC1OC(OC1(C)C)(C)C

STL525221
Synonyms: 5- {4- [(6- methylheptyl)oxy]phenyl}imidazolidine- 2,4- dione
Smiles: CC(CCCCCOc1ccc(cc1)C1NC(=O)NC1=O)C

STL525222
Synonyms: 1- (3- fluorophenyl)- 2,3,4,9- tetrahydro- 1H- beta- carboline
Smiles: Fc1cccc(c1)C1NCCc2c1[nH]c1c2cccc1

STL525223
Synonyms: methyl6,6- dimethyl- 4- oxo- 3- propyl- 4,5,6,7- tetrahydro- 2,1- benzoxazole- 5- carboxylate
Smiles: CCCc1onc2c1C(=O)C(C(C2)(C)C)C(=O)OC

STL525224
Synonyms: (8xi,9xi,14xi)- 17- hydroxy- 3,11,20- trioxopregn- 4- en- 21- ylbenzoate
Smiles: O=C1CC[C@]2(C(=C1)CCC1C2C(=O)C[C@]2(C1CC[C@]2(O)C(=O)COC(=O)c1ccccc1)C)C

STL525225
Synonyms: 5- (4- methoxybenzyl)- 5- {[(1S,5R)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]methyl}- 1- phenylpyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: COc1ccc(cc1)CC1(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)C(=O)NC(=O)N(C1=O)c1ccccc1

STL525226
Synonyms: 1,2,3,4,6,7,11b,12- octahydro- 13H- isoquino[2,1- a]quinolin- 13- one
Smiles: O=C1CC2N(C3=C1CCCC3)CCc1c2cccc1

STL525227
Synonyms:
Smiles: CCOC(=O)CNC(=O)C1O[C@@H](Oc2cc3oc(cc(=O)c3c(c2O)O)c2ccccc2)C(C([C@H]1O)O)O

STL525228
Synonyms: (2E)- 2- (9,10- dimethoxy- 1- oxo- 1,2,3,4,6,7,11b,12- octahydro- 13H- isoquino[2,1- a]quinolin- 13- ylidene)hydrazinecarbothioamide
Smiles: COc1cc2c(cc1OC)CCN1C2C/C(=N\NC(=S)N)/C2=C1CCCC2=O

STL525229
Synonyms: 5- (4,5- dimethoxy- 3- oxo- 1,3- dihydro- 2- benzofuran- 1- yl)- 6- hydroxy- 1- (2- methoxyphenyl)- 2- thioxo- 2,3- dihydropyrimidin- 4(1H)- one
Smiles: COc1c(OC)ccc2c1C(=O)OC2c1c(=O)[nH]c(=S)n(c1O)c1ccccc1OC

STL525230
Synonyms: methylN- {[(4- oxo- 3- phenoxy- 4H- chromen- 7- yl)oxy]acetyl}phenylalaninate
Smiles: COC(=O)C(Cc1ccccc1)NC(=O)COc1ccc2c(c1)occ(c2=O)Oc1ccccc1

STL525231
Synonyms: (8xi,9xi,14xi,17xi,19E)- 3- (acetyloxy)- 5,14- dihydroxy- 19- (hydroxyimino)card- 20(22)- enolide
Smiles: O/N=C/[C@@]12CCC(CC2(O)CCC2C1CC[C@]1(C2(O)CCC1C1=CC(=O)OC1)C)OC(=O)C

STL525232
Synonyms: (5alpha,8xi,9xi,14xi)- androst- 2- en- 17- one
Smiles: O=C1CCC2[C@]1(C)CCC1C2CC[C@@H]2[C@]1(C)CC=CC2

STL525233
Synonyms: (8xi,9xi,14xi)- 17,19- dihydroxyandrost- 4- en- 3- one
Smiles: OC[C@]12CCC(=O)C=C1CCC1C2CC[C@]2(C1CCC2O)C

STL525234
Synonyms: (7S)- 10- {[2- (cyclohex- 1- en- 1- yl)ethyl]amino}- 1,2,3- trimethoxy- 7- (methylamino)- 6,7- dihydrobenzo[a]heptalen- 9(5H)- one
Smiles: CN[C@H]1CCc2c(c3c1cc(=O)c(cc3)NCCC1=CCCCC1)c(OC)c(c(c2)OC)OC

STL525235
Synonyms: 1- [5- bromo- 2- (pyridin- 2- ylmethoxy)phenyl]- 2,3,4,9- tetrahydro- 1H- beta- carboline
Smiles: Brc1ccc(c(c1)C1NCCc2c1[nH]c1c2cccc1)OCc1ccccn1

STL525236
Synonyms: (8xi,9xi,14xi,16xi,17xi,20xi,22xi)- spirost- 5- en- 3- ylbutanoate
Smiles: CCCC(=O)OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3CC3C2C(C)C2(O3)CCC(CO2)C)C)C1)C

STL525237
Synonyms: methyl{[({[(3Z,8xi,9xi,14xi)- 17- hydroxyandrost- 4- en- 3- ylidene]amino}oxy)acetyl]amino}(phenyl)acetate
Smiles: COC(=O)C(c1ccccc1)NC(=O)CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2O)C)C

STL525238
Synonyms: (13S)- 13- methyl- 6,7,8,9,11,12,13,14,15,16- decahydrospiro[cyclopenta[a]phenanthrene- 17,2'- [1,3]dioxolan]- 3- ylacetate
Smiles: CC(=O)Oc1ccc2c(c1)CCC1C2CC[C@]2(C1CCC12OCCO1)C

STL525239
Synonyms: N- (4- methoxybenzyl)- 2- [4- (4- methoxyphenyl)- 2,2- dimethyltetrahydro- 2H- pyran- 4- yl]ethanamine
Smiles: COc1ccc(cc1)CNCCC1(CCOC(C1)(C)C)c1ccc(cc1)OC

STL525240
Synonyms: (3beta,5beta,8xi,9xi,19E)- 3,5,14- trihydroxy- 19- (2- phenylhydrazinylidene)card- 20(22)- enolide
Smiles: O=C1OCC(=C1)[C@H]1CC[C@]2([C@]1(C)CCC1C2CC[C@]2([C@]1(/C=N/Nc1ccccc1)CC[C@@H](C2)O)O)O

STL525241
Synonyms: (5alpha,8xi,9xi,14xi)- 20- oxopregnane- 3,17,21- triyltriacetate
Smiles: CC(=O)OCC(=O)[C@]1(CCC2[C@]1(C)CCC1C2CC[C@@H]2[C@]1(C)CCC(C2)OC(=O)C)OC(=O)C

STL525242
Synonyms: (3'E)- 3'- benzylidene- 8- (cyclohex- 1- en- 1- yl)- 8a- hydroxy- 2- phenylhexahydro- 2'H,4H- spiro[chromene- 3,1'- cyclopentan]- 2'- one
Smiles: O=C1/C(=C/c2ccccc2)/CCC21CC1CCCC(C1(OC2c1ccccc1)O)C1=CCCCC1

STL525243
Synonyms: (8xi,9xi,14xi)- 6- methylidene- 3,20- dioxopregn- 4- en- 17- ylacetate
Smiles: O=C1CC[C@]2(C(=C1)C(=C)CC1C2CC[C@]2(C1CC[C@]2(OC(=O)C)C(=O)C)C)C

STL525244
Synonyms: ethyl2- {[6- hexyl- 3- (2- methyl- 1,3- thiazol- 4- yl)- 4- oxo- 4H- chromen- 7- yl]oxy}propanoate
Smiles: CCCCCCc1cc2c(cc1OC(C(=O)OCC)C)occ(c2=O)c1csc(n1)C

STL525245
Synonyms: methyl2,2- dimethyl- 4,6- dioxo- 5- (phenylcarbonyl)cyclohexanecarboxylate
Smiles: COC(=O)C1C(=O)C(C(=O)CC1(C)C)C(=O)c1ccccc1

STL525246
Synonyms: N- (3,5- dimethoxybenzyl)- 4- oxo- 4- [(1S,5S)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]butanamide
Smiles: COc1cc(CNC(=O)CCC(=O)N2C[C@@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)cc(c1)OC

STL525247
Synonyms: N- cyclohexyl- 4- oxo- 4- [(1S,5R)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]butanamide
Smiles: O=C(NC1CCCCC1)CCC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

STL525248
Synonyms: N- [2- (3,4- dimethoxyphenyl)ethyl]- 2- phenylbutanimidamide
Smiles: CCC(c1ccccc1)C(=N)NCCc1ccc(c(c1)OC)OC

STL525249
Synonyms: N- (2- {[2- (pyridin- 3- yl)piperidin- 1- yl]carbonyl}phenyl)acetamide
Smiles: CC(=O)Nc1ccccc1C(=O)N1CCCCC1c1cccnc1

STL525250
Synonyms: 1- {3- [(2- cyclohexylphenoxy)methyl]- 4- methoxyphenyl}- 6- methoxy- 2,3,4,9- tetrahydro- 1H- beta- carboline
Smiles: COc1ccc(cc1COc1ccccc1C1CCCCC1)C1NCCc2c1[nH]c1c2cc(cc1)OC

STL525251
Synonyms: nonyl2- (acetylamino)- 2- deoxy- beta- D- glucopyranoside
Smiles: CCCCCCCCCO[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1NC(=O)C)O)O

STL525252
Synonyms: 3- (4- chlorophenyl)- 4- oxo- 4H- chromen- 7- ylbeta- D- glucopyranoside
Smiles: OC[C@H]1O[C@@H](Oc2ccc3c(c2)occ(c3=O)c2ccc(cc2)Cl)[C@@H]([C@H]([C@@H]1O)O)O

STL525253
Synonyms: 10,11- dimethoxy- 6- (4- methoxyphenyl)- 7,7a- dihydro- 12H- isoindolo[2,1- a][1,5]benzodiazepin- 12- one
Smiles: COc1ccc(cc1)C1=Nc2ccccc2N2C(C1)c1ccc(c(c1C2=O)OC)OC

STL525254
Synonyms: methylN- {[(4- methyl- 2- oxo- 2H- chromen- 7- yl)oxy]acetyl}- D- valinate
Smiles: COC(=O)[C@@H](C(C)C)NC(=O)COc1ccc2c(c1)oc(=O)cc2C

STL525255
Synonyms: (8xi,14xi,16alpha)- 9- fluoro- 17- hydroxy- 16- methyl- 3,20- dioxopregna- 1,4- diene- 11,21- diyldiacetate
Smiles: CC(=O)OC1C[C@@]2(C)C(C3[C@@]1(F)[C@@]1(C)C=CC(=O)C=C1CC3)C[C@H]([C@]2(O)C(=O)COC(=O)C)C

STL525256
Synonyms: 5- (2,4- dimethoxybenzyl)- 1- (4- methoxyphenyl)- 5- {[(1R,5R)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]methyl}pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: COc1ccc(c(c1)OC)CC1(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)C(=O)NC(=O)N(C1=O)c1ccc(cc1)OC

STL525257
Synonyms:
Smiles: O=C(OC(C)(C)C)N[C@@H](C(=O)OCC1O[C@@H](Oc2ccc3c(c2)occ(c3=O)c2ccc3c(c2)OCCO3)C(C([C@H]1O)O)O)C

STL525258
Synonyms: 2,2'- [(5xi,9xi,13xi,17xi,18xi,19xi)- lup- 20(29)- ene- 3,28- diylbis(oxycarbonyl)]dibenzoicacid
Smiles: OC(=O)c1ccccc1C(=O)OCC12CCC(C2C2[C@](CC1)(C)[C@]1(C)CCC3[C@](C1CC2)(C)CCC(C3(C)C)OC(=O)c1ccccc1C(=O)O)C(=C)C

STL525259
Synonyms: 5- (4- methoxybenzyl)- 1- (4- methoxyphenyl)- 5- {[(1S,5R)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]methyl}pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: COc1ccc(cc1)CC1(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)C(=O)NC(=O)N(C1=O)c1ccc(cc1)OC

STL525260
Synonyms: ethyl(8xi,9xi,14xi,20R)- 3- (acetyloxy)- 21- amino- 21- oxo- 17,20- epoxypregnane- 20- carboxylate
Smiles: CCOC(=O)[C@]1(O[C@]21CCC1[C@]2(C)CCC2C1CCC1[C@]2(C)CCC(C1)OC(=O)C)C(=O)N

STL525261
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CN1CC[C@H](CC1)C(c1ccccc1)(c1ccccc1)O)C=C1[C@](C2)(C)CCC[C@@H]1C

STL525262
Synonyms: 1- (6- methyl- 2,3,4,9- tetrahydro- 1H- carbazol- 1- yl)urea
Smiles: NC(=O)NC1CCCc2c1[nH]c1c2cc(cc1)C

STL525263
Synonyms: (8xi,9xi,14xi)- 17- (acetyloxy)- 6- chloro- 20- oxopregna- 4,6- dien- 3- ylbutanoate
Smiles: CCCC(=O)OC1CC[C@]2(C(=C1)C(=CC1C2CC[C@]2(C1CC[C@]2(OC(=O)C)C(=O)C)C)Cl)C

STL525264
Synonyms: 2- methylpropyl3,4,6- tri- O- acetyl- 2- (acetylamino)- 2- deoxy- beta- D- glucopyranoside
Smiles: CC(CO[C@@H]1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1NC(=O)C)OC(=O)C)OC(=O)C)C

STL525265
Synonyms: 1- hydroxy- 1- {1- [2- (4- methoxyphenyl)ethyl]- 5,5- dimethyl- 2- oxo- 3- (propan- 2- yl)imidazolidin- 4- yl}- 3- propan- 2- ylurea
Smiles: COc1ccc(cc1)CCN1C(=O)N(C(C1(C)C)N(C(=O)NC(C)C)O)C(C)C

STL525266
Synonyms: 4- oxo- 4- [(8xi,9xi,14xi,16xi,17xi)- spirost- 5- en- 3- yloxy]butanoicacid
Smiles: CC1CC[C@@]2(OC1)OC1C([C@@H]2C)[C@@]2(C(C1)C1CC=C3[C@](C1CC2)(C)CCC(C3)OC(=O)CCC(=O)O)C

STL525267
Synonyms: N- [2- (2- methyl- 1- phenyl- 1H- indol- 3- yl)ethyl]- 4- oxo- 4- [(5S)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]butanamide
Smiles: O=C(CCC(=O)N1C[C@H]2CC(C1)c1n(C2)c(=O)ccc1)NCCc1c2ccccc2n(c1C)c1ccccc1

STL525268
Synonyms: ethyl4- oxo- 7- [(2,3,4,6- tetra- O- acetyl- beta- L- glucopyranosyl)oxy]- 3- (1,3- thiazol- 4- yl)- 4H- chromene- 2- carboxylate
Smiles: CCOC(=O)c1oc2cc(ccc2c(=O)c1c1cscn1)O[C@H]1O[C@@H](COC(=O)C)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C

STL525269
Synonyms: 4- [({[(2S)- 2- {[2- amino- 3- (4- hydroxyphenyl)propanoyl]amino}propanoyl]amino}acetyl)amino]- 5- (benzyloxy)- 5- oxopentanoicacid(non- preferredname)
Smiles: O=C(NC(C(=O)OCc1ccccc1)CCC(=O)O)CNC(=O)[C@@H](NC(=O)C(Cc1ccc(cc1)O)N)C

STL525270
Synonyms: 5,5'- [ethane- 1,2- diylbis(imino- 1,3- thiazole- 2,4- diyl)]bis(5- methyl- 3- propyldihydrofuran- 2(3H)- one)
Smiles: CCCC1CC(OC1=O)(C)c1csc(n1)NCCNc1scc(n1)C1(C)CC(C(=O)O1)CCC

STL525271
Synonyms: 6- ethyl- 4- methyl- 2- oxo- 2H- chromen- 7- ylN- (tert- butoxycarbonyl)- D- methioninate
Smiles: CSCC[C@H](C(=O)Oc1cc2oc(=O)cc(c2cc1CC)C)NC(=O)OC(C)(C)C

STL525272
Synonyms: 5- (4,5- dimethoxy- 3- oxo- 1,3- dihydro- 2- benzofuran- 1- yl)- 1- (2,5- dimethoxyphenyl)- 6- hydroxypyrimidine- 2,4(1H,3H)- dione
Smiles: COc1ccc(c(c1)n1c(=O)[nH]c(=O)c(c1O)C1OC(=O)c2c1ccc(c2OC)OC)OC

STL525273
Synonyms: 4- [4- (1,3- benzodioxol- 5- yl)- 1H- pyrazol- 3- yl]- 2- ethyl- 5- hydroxyphenylhexopyranoside
Smiles: OCC1OC(Oc2cc(O)c(cc2CC)c2n[nH]cc2c2ccc3c(c2)OCO3)C(C(C1O)O)O

STL525274
Synonyms: 1,3- dimethyl- 5- {[(1S,5R)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]methyl}- 5- (2,4,5- trimethoxybenzyl)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: COc1cc(OC)c(cc1CC1(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)C(=O)N(C)C(=O)N(C1=O)C)OC

STL525275
Synonyms: 1- [({[(3Z,8xi,9xi,14xi)- 17- hydroxyandrost- 4- en- 3- ylidene]amino}oxy)acetyl]proline
Smiles: OC(=O)C1CCCN1C(=O)CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2O)C)C

STL525276
Synonyms: (5S)- 5- {[(1R,2S,5R)- 5- methyl- 2- (propan- 2- yl)cyclohexyl]oxy}furan- 2(5H)- one
Smiles: C[C@@H]1CC[C@H]([C@@H](C1)O[C@@H]1C=CC(=O)O1)C(C)C

STL525277
Synonyms: 1,3- dimethyl- 5- [(5- methylthiophen- 2- yl)methyl]- 5- {[(1R,5R)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]methyl}pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: Cc1ccc(s1)CC1(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)C(=O)N(C)C(=O)N(C1=O)C

STL525278
Synonyms: 4- hydroxy- 3- [2- (4- hydroxyphenyl)- 2,3- dihydro- 1,5- benzothiazepin- 4- yl]- 6- methyl- 2H- pyran- 2- one
Smiles: Oc1ccc(cc1)C1Sc2ccccc2N=C(C1)c1c(O)cc(oc1=O)C

STL525279
Synonyms: N- [({[(3Z,8xi,9xi,14xi)- 17- hydroxyandrost- 4- en- 3- ylidene]amino}oxy)acetyl]phenylalanine
Smiles: OC1CCC2[C@]1(C)CCC1C2CCC2=C/C(=N\OCC(=O)NC(C(=O)O)Cc3ccccc3)/CC[C@]12C

STL525280
Synonyms: (10R,13S,17R)- 3- methoxy- 10,13- dimethyl- 2,7,8,9,10,12,13,14,15,16- decahydrospiro[cyclopenta[a]phenanthrene- 17,2'- oxiran]- 11(1H)- one
Smiles: COC1=CC2=CCC3C([C@]2(CC1)C)C(=O)C[C@]1(C3CC[C@@]21CO2)C

STL525281
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCC(CC1)Cc1ccccc1)C=C1[C@](C2)(C)CCC[C@@H]1C

STL525282
Synonyms: (8xi,14xi)- 9- fluoro- 11,21- dihydroxypregna- 1,4,16- triene- 3,20- dione
Smiles: OCC(=O)C1=CCC2[C@]1(C)CC(O)[C@]1(C2CCC2=CC(=O)C=C[C@]12C)F

STL525283
Synonyms: N- ({[3- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 5- hydroxy- 4- oxo- 4H- chromen- 7- yl]oxy}acetyl)- D- leucylglycinamide
Smiles: CC(C[C@H](C(=O)NCC(=O)N)NC(=O)COc1cc(O)c2c(c1)occ(c2=O)c1ccc2c(c1)OCCO2)C

STL525284
Synonyms: (2E)- 3- (1,3- benzodioxol- 5- yl)- N- {(2S)- 1- oxo- 1- [(5S)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]- 3- phenylpropan- 2- yl}prop- 2- enamide
Smiles: O=C(N[C@H](C(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cc1ccccc1)/C=C/c1ccc2c(c1)OCO2

STL525285
Synonyms: 4- hydroxy- 1- [({[(3E,8xi,9xi,14xi)- 17- hydroxyandrost- 4- en- 3- ylidene]amino}oxy)acetyl]proline
Smiles: OC1CC(N(C1)C(=O)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2O)C)C)C(=O)O

STL525286
Synonyms: S- [(3S,10R,13R)- 10,13- dimethyl- 17- octyl- 2,3,4,7,8,9,10,11,12,13,14,15,16,17- tetradecahydro- 1H- cyclopenta[a]phenanthren- 3- yl]3- methylpentanethioate(non- preferredname)
Smiles: CCCCCCCCC1CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CC[C@@H](C2)SC(=O)CC(CC)C

STL525287
Synonyms: 3- (2,3,4,9- tetrahydro- 1H- beta- carbolin- 1- yl)phenol
Smiles: Oc1cccc(c1)C1NCCc2c1[nH]c1c2cccc1

STL525288
Synonyms: N- [(1Z)- 1- (6,6- dimethyl- 3- oxobicyclo[3.1.0]hex- 2- ylidene)ethyl]benzamide
Smiles: C/C(=C\1/C(=O)CC2C1C2(C)C)/NC(=O)c1ccccc1

STL525289
Synonyms: N- [(7S)- 10- {[4- (furan- 2- yl)butan- 2- yl]amino}- 1,2,3- trimethoxy- 9- oxo- 5,6,7,9- tetrahydrobenzo[a]heptalen- 7- yl]acetamide
Smiles: COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)NC(CCc2ccco2)C)NC(=O)C)cc(c1OC)OC

STL525290
Synonyms: 4- methyl- 2- oxo- 2H- chromen- 7- ylN- [(benzyloxy)carbonyl]- D- isoleucinate
Smiles: CCC([C@H](C(=O)Oc1ccc2c(c1)oc(=O)cc2C)NC(=O)OCc1ccccc1)C

STL525291
Synonyms: (4aR,6aR)- 4a,6a- dimethyl- 8- (6- methylheptan- 2- yl)- 1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11- hexadecahydrochrysen- 2- yl{[3- (4- ethoxyphenoxy)- 2- methyl- 4- oxo- 4H- chromen- 7- yl]oxy}acetate
Smiles: CCOc1ccc(cc1)Oc1c(C)oc2c(c1=O)ccc(c2)OCC(=O)OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3CCC(C2)C(CCCC(C)C)C)C)C1)C

STL525292
Synonyms: (6alpha,8xi,9xi,14xi)- 6- methyl- 3,20- dioxopregna- 1,4- diene- 11,17,21- triyltriacetate
Smiles: CC(=O)OC1C[C@@]2(C)C(C3C1[C@@]1(C)C=CC(=O)C=C1[C@H](C3)C)CC[C@]2(OC(=O)C)C(=O)COC(=O)C

STL525293
Synonyms: (8xi,9xi,11alpha,14xi,16alpha,17xi)- 11- hydroxy- 16- methylpregnane- 3,20- dione
Smiles: O=C1CC[C@]2(C(C1)CCC1C2[C@H](O)C[C@]2(C1C[C@H](C2C(=O)C)C)C)C

STL525294
Synonyms: 4- oxo- 4- [(5alpha,8xi,9xi,14xi,16xi,17xi)- spirostan- 3- yloxy]butanoicacid
Smiles: CC1CC[C@@]2(OC1)OC1C([C@@H]2C)[C@@]2(C(C1)C1CC[C@@H]3[C@](C1CC2)(C)CCC(C3)OC(=O)CCC(=O)O)C

STL525295
Synonyms: (3alpha,5alpha,8xi,9xi,14xi,16xi,17xi,20xi)- spirosolan- 3- ylacetate
Smiles: CC1CCC2(NC1)OC1C(C2C)[C@@]2(C(C1)C1CC[C@@H]3[C@](C1CC2)(C)CC[C@H](C3)OC(=O)C)C

STL525296
Synonyms: (8xi,9xi,14xi,17alpha)- 3- [(4- O- acetyl- 2,6- dideoxy- 3- O- methylhexopyranosyl)oxy]- 5,14- dihydroxy- 19- nitrilocard- 20(22)- enolide
Smiles: COC1CC(OC2CC[C@]3(C(C2)(O)CCC2C3CC[C@]3(C2(O)CC[C@H]3C2=CC(=O)OC2)C)C#N)OC(C1OC(=O)C)C

STL525297
Synonyms:
Smiles: COc1cccc2c1C(=O)c1c(O)c3[C@@H](O[C@H]4CC(N)[C@H](C(O4)C)O)C[C@](Cc3c(c1C2=O)O)(O)/C(=N/N=C1CC(C)(C)N(C(C1)(C)C)[O])/C

STL525298
Synonyms: N- {(7R)- 1,2,3- trimethoxy- 10- [(6- methylheptan- 2- yl)amino]- 9- oxo- 5,6,7,9- tetrahydrobenzo[a]heptalen- 7- yl}acetamide
Smiles: COc1c2c(CC[C@H](c3c2ccc(c(=O)c3)NC(CCCC(C)C)C)NC(=O)C)cc(c1OC)OC

STL525299
Synonyms: (1R,5S)- 3- [2- (4- chloro- 2- methylphenyl)- 2- oxoethyl]- 1,2,3,4,5,6- hexahydro- 8H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 8- one
Smiles: Clc1ccc(c(c1)C)C(=O)CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

STL525300
Synonyms: (5alpha,8xi,9xi,14xi,16alpha)- 16,17,20- trihydroxypregnan- 3- ylacetate
Smiles: CC(=O)OC1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1C[C@H]([C@]2(O)C(O)C)O)C)C

STL525301
Synonyms: (3S,10R,13R)- 10,13- dimethyl- 17- octyl- 2,3,4,7,8,9,10,11,12,13,14,15,16,17- tetradecahydro- 1H- cyclopenta[a]phenanthren- 3- ylheptylcarbonate(non- preferredname)
Smiles: CCCCCCCCC1CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CC[C@@H](C2)OC(=O)OCCCCCCC

STL525302
Synonyms: 3- (1,3- benzodioxol- 5- ylamino)- 6,7- dimethoxy- 2- benzofuran- 1(3H)- one
Smiles: COc1c(OC)ccc2c1C(=O)OC2Nc1ccc2c(c1)OCO2

STL525303
Synonyms: (2S)- 1,3,3- trimethyl- 1,3- dihydrospiro[indole- 2,3'- [1,4]oxazino[3,2- f]quinoline]
Smiles: CN1c2ccccc2C([C@@]21C=Nc1c(O2)ccc2c1cccn2)(C)C

STL525304
Synonyms: (2,2- dimethyl- 5- oxotetrahydrofuran- 3- yl)aceticacid
Smiles: OC(=O)CC1CC(=O)OC1(C)C

STL525305
Synonyms: (8xi,9xi,14xi,16alpha)- 17- (acetylamino)- 16- methylandrost- 5- en- 3- ylacetate
Smiles: CC(=O)NC1[C@H](C)CC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CCC(C2)OC(=O)C

STL525306
Synonyms:
Smiles: CCCCCCCCCCCCCCCCCC(=O)OCC([C@H]1OC[C@@H]([C@H]1O)O)O

STL525307
Synonyms: 5- (4- methoxybenzyl)- 5- {[(1R,5R)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]methyl}- 1- (prop- 2- en- 1- yl)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: C=CCN1C(=O)NC(=O)C(C1=O)(CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cc1ccc(cc1)OC

STL525308
Synonyms: (3aS)- 3- acetyl- 8- methyl- 1,2,3,3a,4,5- hexahydro- 6H- 3,10b- diazaacephenanthrylen- 6- one
Smiles: Cc1ccc2c(c1)c(=O)c1c3n2CCN([C@H]3CC1)C(=O)C

STL525309
Synonyms: (8xi,9xi,14xi,16alpha)- 16- bromo- 17- oxoestra- 1,3,5(10)- trien- 3- ylacetate
Smiles: CC(=O)Oc1ccc2c(c1)CCC1C2CC[C@]2(C1C[C@H](C2=O)Br)C

STL525310
Synonyms: {[({[(3Z,8xi,9xi,14xi)- 17- hydroxypregn- 4- en- 20- yn- 3- ylidene]amino}oxy)acetyl]amino}(phenyl)aceticacid
Smiles: C#C[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=C/C(=N\OCC(=O)NC(c3ccccc3)C(=O)O)/CC[C@]12C

STL525311
Synonyms: N- [(4- butoxyphenyl)carbonyl]phenylalanylmethionine
Smiles: CCCCOc1ccc(cc1)C(=O)NC(C(=O)NC(C(=O)O)CCSC)Cc1ccccc1

STL525312
Synonyms: (9aR)- 9a- [(E)- 2- (2- chlorophenyl)ethenyl]- 9,9- dimethyl- 9,9a- dihydro- 1H- imidazo[1,2- a]indol- 2(3H)- one
Smiles: O=C1CN2[C@](N1)(/C=C/c1ccccc1Cl)C(c1c2cccc1)(C)C

STL525313
Synonyms: (8xi,14xi)- 9- fluoro- 21- hydroxy- 3,20- dioxopregna- 1,4,16- trien- 11- ylacetate
Smiles: OCC(=O)C1=CCC2[C@]1(C)CC(OC(=O)C)[C@]1(C2CCC2=CC(=O)C=C[C@]12C)F

STL525314
Synonyms: methyl3- ({[(2R)- 2- (2- ethoxy- 2- oxoethyl)- 3- oxopiperazin- 1- yl]acetyl}amino)- 5- methyl- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)C[C@H]1N(CCNC1=O)CC(=O)Nc1c([nH]c2c1cc(C)cc2)C(=O)OC

STL525315
Synonyms: 2- (2,2- dimethyltetrahydro- 2H- pyran- 4- yl)- 5- hydroxy- 1- phenylpentan- 1- one
Smiles: OCCCC(C(=O)c1ccccc1)C1CCOC(C1)(C)C

STL525316
Synonyms: N- {[(2- oxo- 4- phenyl- 2H- chromen- 7- yl)oxy]acetyl}- D- alanine
Smiles: O=C(N[C@@H](C(=O)O)C)COc1ccc2c(c1)oc(=O)cc2c1ccccc1

STL525317
Synonyms: (5alpha,8xi,9xi,14xi,16alpha)- 17- hydroxy- 16- methyl- 20- oxopregnane- 3,21- diyldiacetate
Smiles: CC(=O)OCC(=O)[C@@]1(O)[C@H](C)CC2[C@]1(C)CCC1C2CC[C@@H]2[C@]1(C)CCC(C2)OC(=O)C

STL525318
Synonyms: (4aR,6aS,6bS,9aR)- 6b- [(acetyloxy)acetyl]- 4a,6a,8,8- tetramethyl- 2,3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11- tetradecahydro- 1H- naphtho[2',1':4,5]indeno[1,2- d][1,3]dioxol- 2- ylacetate
Smiles: CC(=O)OCC(=O)[C@@]12OC(O[C@@H]1CC1[C@]2(C)CCC2C1CC=C1[C@]2(C)CCC(C1)OC(=O)C)(C)C

STL525319
Synonyms: N- [(4- ethoxyphenyl)carbonyl]leucine
Smiles: CCOc1ccc(cc1)C(=O)NC(C(=O)O)CC(C)C

STL525320
Synonyms: (5Z)- 1- (furan- 2- ylmethyl)- 5- ({[2- (pyridin- 3- yl)piperidin- 1- yl]amino}methylidene)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: O=C1NC(=O)N(C(=O)/C/1=C\NN1CCCCC1c1cccnc1)Cc1ccco1

STL525321
Synonyms: (2S,5R,6R)- 3,3- dimethyl- 7- oxo- 6- ({[(2- oxoimidazolidin- 1- yl)amino](phenyl)acetyl}amino)- 4- thia- 1- azabicyclo[3.2.0]heptane- 2- carboxylicacid
Smiles: O=C(C(c1ccccc1)NN1CCNC1=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C

STL525322
Synonyms: 4- oxo- 3- phenoxy- 2- (trifluoromethyl)- 4H- chromen- 7- ylN- (tert- butoxycarbonyl)- L- phenylalaninate
Smiles: O=C(OC(C)(C)C)N[C@H](C(=O)Oc1ccc2c(c1)oc(c(c2=O)Oc1ccccc1)C(F)(F)F)Cc1ccccc1

STL525323
Synonyms: 6- bromo- 2- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 2,3- dihydro- 4H- chromen- 4- one
Smiles: Brc1ccc2c(c1)C(=O)CC(O2)c1ccc2c(c1)OCCO2

STL525324
Synonyms: 2- (1H- indol- 3- yl)- 4- oxopentanoicacid
Smiles: CC(=O)CC(c1c[nH]c2c1cccc2)C(=O)O

STL525325
Synonyms: phenylbeta- D- arabinopyranoside
Smiles: O[C@@H]1[C@@H](OC[C@H]([C@H]1O)O)Oc1ccccc1

STL525326
Synonyms: N- [(7- hydroxy- 4- oxo- 3- phenoxy- 4H- chromen- 8- yl)methyl]- L- alanine
Smiles: OC(=O)[C@@H](NCc1c(O)ccc2c1occ(c2=O)Oc1ccccc1)C

STL525327
Synonyms: 1- [({[(3Z,8xi,9xi,14xi)- 17- hydroxypregn- 4- en- 20- yn- 3- ylidene]amino}oxy)acetyl]proline
Smiles: C#C[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=C/C(=N\OCC(=O)N3CCCC3C(=O)O)/CC[C@]12C

STL525328
Synonyms: (3alpha,8xi,9xi,14xi,16xi,17xi,20xi,22xi)- spirostan- 3- yl3- methylpentanoate
Smiles: CCC(CC(=O)O[C@@H]1CC[C@]2(C(C1)CCC1C2CC[C@]2(C1CC1C2C(C)C2(O1)CCC(CO2)C)C)C)C

STL525329
Synonyms: methylN- (4- {[(8xi,9xi,14xi)- 11,17- dihydroxy- 3,20- dioxopregn- 4- en- 21- yl]oxy}- 4- oxobutanoyl)tyrosinate
Smiles: COC(=O)C(Cc1ccc(cc1)O)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)CC[C@]12C

STL525330
Synonyms: (8xi,9xi,14xi,16alpha,17alpha)- 16- acetyl- 16,17- epoxyandrost- 5- en- 3- ylacetate
Smiles: CC(=O)OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3C[C@@]3([C@H]2O3)C(=O)C)C)C1)C

STL525331
Synonyms: (1,2- dioxoethane- 1,2- diyl)bis(3,4,4- trimethyl- 3b,4,4a,5- tetrahydro- 1H- cyclopropa[3,4]cyclopenta[1,2- c]pyrazole- 1,5a(3aH)- diyl)diacetate
Smiles: CC(=O)OC12CC3C(C2C(=NN1C(=O)C(=O)N1N=C(C2C1(OC(=O)C)CC1C2C1(C)C)C)C)C3(C)C

STL525332
Synonyms: methyl(11bS)- 3,3- dimethyl- 1,13- dioxo- 2,3,4,6,7,11b,12,13- octahydro- 1H- isoquino[2,1- a]quinoline- 2- carboxylate
Smiles: COC(=O)C1C(=O)C2=C(CC1(C)C)N1[C@@H](CC2=O)c2ccccc2CC1

STL525333
Synonyms: (4R)- 4- (2- methoxyphenyl)- 2,4- dimethyl- 5,6- dihydro- 4H- benzo[d]cyclohepta[1,2- b:3,4- b']difuran
Smiles: COc1ccccc1[C@@]1(C)CCc2c(c3c1cc(o3)C)c1c(o2)cccc1

STL525334
Synonyms: 5- (1,3- benzodioxol- 5- ylmethyl)- 5- {[(1S,5R)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]methyl}- 1- phenylpyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: O=C1NC(=O)C(C(=O)N1c1ccccc1)(CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cc1ccc2c(c1)OCO2

STL525335
Synonyms: N- {(7S)- 1,2,3- trimethoxy- 9- oxo- 10- [(pyridin- 3- ylmethyl)amino]- 5,6,7,9- tetrahydrobenzo[a]heptalen- 7- yl}acetamide
Smiles: COc1cc2CC[C@@H](c3c(c2c(c1OC)OC)ccc(c(=O)c3)NCc1cccnc1)NC(=O)C

STL525336
Synonyms: 1,4- dioxo- 3- [(2,3,4,6- tetra- O- acetyl- beta- D- glucopyranosyl)thio]- 1,4- dihydronaphthalen- 2- yl2,3,4,6- tetra- O- acetyl- 1- thio- beta- D- glucopyranoside
Smiles: CC(=O)OC[C@H]1O[C@@H](SC2=C(S[C@@H]3O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]3OC(=O)C)OC(=O)C)OC(=O)C)C(=O)c3c(C2=O)cccc3)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C

STL525337
Synonyms: 2- formylphenylbeta- D- glucopyranoside
Smiles: OC[C@H]1O[C@@H](Oc2ccccc2C=O)[C@@H]([C@H]([C@@H]1O)O)O

STL525338
Synonyms: N,O- bis(tert- butoxycarbonyl)- D- tyrosyl- L- alanylglycyl- D- phenylalanyl- D- leucyl- L- arginine
Smiles: CC(C[C@H](C(=O)N[C@H](C(=O)O)CCCNC(=N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](Cc1ccc(cc1)OC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C)C

STL525339
Synonyms: 1,2- bis[(3aR,3bR,4aR,5aS)- 5a- hydroxy- 3,4,4- trimethyl- 3a,3b,4,4a,5,5a- hexahydro- 1H- cyclopropa[3,4]cyclopenta[1,2- c]pyrazol- 1- yl]ethane- 1,2- dione
Smiles: CC1=NN([C@]2([C@@H]1[C@H]1[C@H](C1(C)C)C2)O)C(=O)C(=O)N1N=C([C@@H]2[C@@]1(O)C[C@@H]1[C@H]2C1(C)C)C

STL525340
Synonyms: 10- (3,4- dimethoxyphenyl)- 11- hydroxy- 6,7,8,10- tetrahydro- 9H- indeno[1,2- b]quinolin- 9- one
Smiles: COc1ccc(cc1OC)C1C2=C(CCCC2=O)N=C2C1=C(O)c1c2cccc1

STL525341
Synonyms: methylN~2~- [(benzyloxy)carbonyl]- N~6~- (tert- butoxycarbonyl)lysylleucinate
Smiles: COC(=O)C(NC(=O)C(NC(=O)OCc1ccccc1)CCCCNC(=O)OC(C)(C)C)CC(C)C

STL525342
Synonyms: methylN- [({[(3E,8xi,9xi,14xi,17xi)- 20- oxopregn- 4- en- 3- ylidene]amino}oxy)acetyl]tryptophanate
Smiles: COC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2C(=O)C)C)C

STL525343
Synonyms: (3S)- 4- methoxy- 1- methyl- 4- phenylspiro[2.2]pentane- 1- carboxylicacid
Smiles: CO[C@@]1(C[C@@]21CC2(C)C(=O)O)c1ccccc1

STL525344
Synonyms: (1S,2R)- 3- ethoxy- 3- oxo- 1- phenyl- 2- (tetradecanoylamino)propyltetradecanoate
Smiles: CCCCCCCCCCCCCC(=O)N[C@H]([C@H](c1ccccc1)OC(=O)CCCCCCCCCCCCC)C(=O)OCC

STL525345
Synonyms: 3- (4- fluorophenyl)- 2- methyl- 4- oxo- 4H- chromen- 7- ylD- leucinate
Smiles: CC(C[C@H](C(=O)Oc1ccc2c(c1)oc(c(c2=O)c1ccc(cc1)F)C)N)C

STL525346
Synonyms: (8xi,9xi,14xi,16xi,17xi)- 26- (acetylamino)furosta- 5,20(22)- dien- 3- ylbenzoate
Smiles: CC(CCC1=C(C)C2C(O1)CC1[C@]2(C)CCC2C1CC=C1[C@]2(C)CCC(C1)OC(=O)c1ccccc1)CNC(=O)C

STL525347
Synonyms: (2E)- 1- (2- methyl- 2,3- dihydro- 1- benzofuran- 5- yl)- 3- phenylprop- 2- en- 1- one
Smiles: CC1Oc2c(C1)cc(cc2)C(=O)/C=C/c1ccccc1

STL525348
Synonyms: methyl(2S)- 2- [3- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 2- methyl- 4- oxo- 4H,8H- chromeno[8,7- e][1,3]oxazin- 9(10H)- yl]- 3- methylbutanoate
Smiles: COC(=O)[C@@H](N1COc2c(C1)c1oc(C)c(c(=O)c1cc2)c1ccc2c(c1)OCCO2)C(C)C

STL525349
Synonyms: 6- [2- (diethylamino)ethyl]- 9,10- dimethoxy- 6,6a- dihydroisoindolo[2,1- a]quinazoline- 5,11- dione
Smiles: CCN(CCN1C(=O)c2ccccc2N2C1c1ccc(c(c1C2=O)OC)OC)CC

STL525350
Synonyms: (3alpha,5alpha,8xi,17xi,20xi)- 6- oxocholestane- 3,5- diyldiacetate
Smiles: CC(CCCC(C1CC[C@@H]2[C@]1(C)CC[C@H]1C2CC(=O)[C@@]2([C@]1(C)CC[C@H](C2)OC(=O)C)OC(=O)C)C)C

STL525351
Synonyms: 1- [(4aS,9bR)- 2,8- dimethyl- 1,2,3,4,4a,9b- hexahydro- 5H- pyrido[4,3- b]indol- 5- yl]- 2- methoxyethanone
Smiles: COCC(=O)N1c2ccc(cc2[C@H]2[C@@H]1CCN(C2)C)C

STL525352
Synonyms:
Smiles: CCCCCCCCCCCC/N=C/[C@@]12CCC(CC2(O)CCC2[C@@H]1CC[C@]1(C2(O)CC[C@H]1C1C=CC(=O)O1)C)O

STL525353
Synonyms: methylN- [({[(3Z,8xi,9xi,14xi)- 17- hydroxyandrost- 4- en- 3- ylidene]amino}oxy)acetyl]phenylalaninate
Smiles: COC(=O)C(Cc1ccccc1)NC(=O)CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2O)C)C

STL525354
Synonyms: N~2~- ({(6R,7R)- 3- methyl- 8- oxo- 7- [(phenylacetyl)amino]- 5- thia- 1- azabicyclo[4.2.0]oct- 2- en- 2- yl}carbonyl)- L- arginine
Smiles: NC(=N)NCCC[C@@H](C(=O)O)NC(=O)C1=C(C)CS[C@H]2N1C(=O)[C@H]2NC(=O)Cc1ccccc1

STL525355
Synonyms: (8xi,9xi,14xi)- 3- methoxyestra- 1,3,5(10)- trien- 17- yl3- (morpholin- 4- yl)propanoate
Smiles: COc1ccc2c(c1)CCC1C2CC[C@]2(C1CCC2OC(=O)CCN1CCOCC1)C

STL525356
Synonyms:
Smiles: OCC([C@@H]1OC([C@H]([C@@H]1O)O)Nc1cc(C)c(cc1NC1O[C@@H]([C@@H]([C@H]1O)O)C(CO)O)C)O

STL525357
Synonyms: (5alpha,8xi,9xi,14xi,16xi,17xi)- spirostan- 3- ylbutanoate
Smiles: CCCC(=O)OC1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CC1C2[C@H](C)[C@]2(O1)CCC(CO2)C)C)C

STL525358
Synonyms:
Smiles: CN(C[C@@H]([C@@H](c1ccccc1)O)C)CC1C(=O)O[C@H]2[C@@H]1CC1[C@](C2)(C)CCCC21OC2

STL525359
Synonyms: (1S,5S)- 3- {3- [(5E)- 5- (3,4- dimethoxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]propanoyl}- 1,2,3,4,5,6- hexahydro- 8H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 8- one
Smiles: COc1ccc(cc1OC)/C=C\1/SC(=S)N(C1=O)CCC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

STL525360
Synonyms: (1R,9aR)- octahydro- 2H- quinolizin- 1- ylmethylcyclohexylcarbamate
Smiles: O=C(NC1CCCCC1)OC[C@@H]1CCCN2[C@@H]1CCCC2

STL525361
Synonyms: N- (4- fluorobenzyl)- 4- oxo- 4- [(1S)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]butanamide
Smiles: O=C(CCC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)NCc1ccc(cc1)F

STL525362
Synonyms: (3S,10R,13R)- 10,13- dimethyl- 17- octyl- 2,3,4,7,8,9,10,11,12,13,14,15,16,17- tetradecahydro- 1H- cyclopenta[a]phenanthren- 3- yl3- chlorobutanoate(non- preferredname)
Smiles: CCCCCCCCC1CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CC[C@@H](C2)OC(=O)CC(Cl)C

STL525363
Synonyms: (8xi,9xi,14xi)- 11,17- dihydroxy- 3,20- dioxopregn- 4- en- 21- yl4- [(2- methoxy- 2- oxo- 1- phenylethyl)amino]- 4- oxobutanoate
Smiles: COC(=O)C(c1ccccc1)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)CC[C@]12C

STL525364
Synonyms: N- {(7S)- 1,2,3- trimethoxy- 9- oxo- 10- [(pyridin- 2- ylmethyl)amino]- 5,6,7,9- tetrahydrobenzo[a]heptalen- 7- yl}acetamide
Smiles: COc1cc2CC[C@@H](c3c(c2c(c1OC)OC)ccc(c(=O)c3)NCc1ccccn1)NC(=O)C

STL525365
Synonyms: N- {(2Z)- 2- [(phenylcarbonyl)amino]- 3- [4- (propan- 2- yloxy)phenyl]prop- 2- enoyl}valine
Smiles: CC(Oc1ccc(cc1)/C=C(/C(=O)NC(C(=O)O)C(C)C)\NC(=O)c1ccccc1)C

STL525366
Synonyms: 2,3,4,9- tetrahydro- 1H- carbazole- 1- carboxamide
Smiles: NC(=O)C1CCCc2c1[nH]c1c2cccc1

STL525367
Synonyms: 3- [(3aS)- 8- methyl- 1,2,3a,4,5,6- hexahydro- 3H- pyrazino[3,2,1- jk]carbazol- 3- yl]propanoicacid
Smiles: OC(=O)CCN1CCn2c3[C@@H]1CCCc3c1c2ccc(c1)C

STL525368
Synonyms: 2- (3,3- dimethyl- 3,4- dihydroisoquinolin- 1- yl)- 5- methylhexanamide
Smiles: CC(CCC(C1=NC(C)(C)Cc2c1cccc2)C(=O)N)C

STL525369
Synonyms: N~6~- (tert- butoxycarbonyl)- N~2~- [(7- hydroxy- 4- methyl- 2- oxo- 2H- chromen- 8- yl)methyl]- D- lysine
Smiles: O=C(OC(C)(C)C)NCCCC[C@H](C(=O)O)NCc1c(O)ccc2c1oc(=O)cc2C

STL525370
Synonyms: (8xi,9xi,14xi,16alpha)- 3,17- dihydroxy- 16- methyl- 20- oxopregn- 5- en- 21- ylacetate
Smiles: OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3C[C@H]([C@]2(O)C(=O)COC(=O)C)C)C)C1)C

STL525371
Synonyms: (2Z)- 2- [(5alpha,8xi,9xi,14xi,17Z)- androst- 2- en- 17- ylidene]hydrazinecarbothioamide
Smiles: NC(=S)N/N=C\1/CCC2[C@]1(C)CCC1C2CC[C@@H]2[C@]1(C)CC=CC2

STL525372
Synonyms: N- {(2E)- 3- (4- methoxyphenyl)- 2- [(phenylcarbonyl)amino]prop- 2- enoyl}methionine
Smiles: CSCCC(C(=O)O)NC(=O)/C(=C\c1ccc(cc1)OC)/NC(=O)c1ccccc1

STL525373
Synonyms: methyl1- [({[(3Z,8xi,9xi,14xi,17xi)- 20- oxopregn- 4- en- 3- ylidene]amino}oxy)acetyl]prolinate
Smiles: COC(=O)C1CCCN1C(=O)CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2C(=O)C)C)C

STL525374
Synonyms: (5xi,9xi,13xi,17xi,18xi,19xi)- 3- hydroxylup- 20(29)- en- 28- yl(2E)- 3- (4- methoxyphenyl)prop- 2- enoate
Smiles: COc1ccc(cc1)/C=C/C(=O)OCC12CCC(C2C2[C@](CC1)(C)[C@]1(C)CCC3[C@](C1CC2)(C)CCC(C3(C)C)O)C(=C)C

STL525375
Synonyms: (8xi,9xi,14xi)- 11,17- dihydroxy- 3,20- dioxopregn- 4- en- 21- ylpropanoate
Smiles: CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)CC[C@]12C

STL525376
Synonyms: (4aR,6aS,6bS,9aR)- 6b- [(acetyloxy)acetyl]- 4a,6a- dimethyl- 2- oxo- 8- propyl- 4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12- dodecahydro- 2H- naphtho[2',1':4,5]indeno[1,2- d][1,3]dioxol- 5- ylacetate
Smiles: CCCC1O[C@H]2[C@](O1)(C(=O)COC(=O)C)[C@@]1(C(C2)C2CCC3=CC(=O)C=C[C@@]3(C2C(C1)OC(=O)C)C)C

STL525377
Synonyms: 3,3,5,5- tetramethyl- 6- [(1E)- prop- 1- en- 1- yl]dihydro- 2H- pyran- 2,4(3H)- dione
Smiles: C/C=C/C1OC(=O)C(C(=O)C1(C)C)(C)C

STL525378
Synonyms: (8xi,9xi,14xi,16alpha)- 3- hydroxy- 16,17- dimethylpregn- 4- en- 20- one
Smiles: OC1CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1C[C@H]([C@]2(C)C(=O)C)C)C)C

STL525379
Synonyms: (5xi,9xi)- 2- ethynyloleana- 11,13(18)- diene- 3,30- diol
Smiles: C#CC1C[C@@]2(C)C(C(C1O)(C)C)CC[C@@]1(C2C=CC2=C3C[C@@](C)(CO)CC[C@@]3(CC[C@@]12C)C)C

STL525380
Synonyms: 5- [(6- hydroxy- 4- oxo- 1,3- diphenyl- 2- thioxo- 1,2,3,4- tetrahydropyrimidin- 5- yl)(4- methoxy- 3- {[(1S)- 8- oxo- 1,3,5,6,8- pentahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3- ium- 3(4H)- yl]methyl}phenyl)methyl]-
Smiles: COc1ccc(cc1C[NH+]1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)C(c1c(O)n(c2ccccc2)c(=S)n(c1=O)c1ccccc1)c1c([O-])n(c2ccccc2)c(=S)n(c1=O)c1ccccc1

STL525381
Synonyms: 1- benzyl- 5- (4- ethoxybenzyl)- 5- {[(1R,5R)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]methyl}pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCOc1ccc(cc1)CC1(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)C(=O)NC(=O)N(C1=O)Cc1ccccc1

STL525382
Synonyms: 2,3,6- tri- O- acetyl- 4- O- (2,3,6- tri- O- acetylhexopyranosyl)hexopyranose
Smiles: CC(=O)OCC1OC(OC2C(COC(=O)C)OC(C(C2OC(=O)C)OC(=O)C)O)C(C(C1O)OC(=O)C)OC(=O)C

STL525383
Synonyms: (8xi,9xi,10xi,14xi)- 17- hydroxyestr- 4- en- 3- one
Smiles: O=C1CCC2C(=C1)CCC1C2CC[C@]2(C1CCC2O)C

STL525384
Synonyms: 5- (4- ethoxyphenyl)- 6- hydroxy- 1,3- dimethyl- 1H- indeno[2',1':5,6]pyrido[2,3- d]pyrimidine- 2,4(3H,5H)- dione
Smiles: CCOc1ccc(cc1)C1C2=C(O)c3c(C2=Nc2c1c(=O)n(C)c(=O)n2C)cccc3

STL525385
Synonyms: (4aS,5aR,7aR)- 10- hydroxy- 1,1,7a,9,12a- pentamethyl- 2- (beta- D- xylopyranosyloxy)octadecahydrocyclopropa[1',8a']naphtho[2',1':4,5]indeno[2,1- b]pyran- 13- ylbeta- D- glucopyranoside
Smiles: OC[C@H]1O[C@@H](OC2CC3C(C)(C)C(CC[C@]43[C@@]3(C2C2(C)CC5C([C@@]2(C)CC3)CC(C(O5)O)C)C4)O[C@@H]2OC[C@H]([C@@H]([C@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O

STL525386
Synonyms: 1- (3,4- dimethoxybenzyl)- N- (3,4- dimethoxyphenyl)piperidine- 2- carboxamide
Smiles: COc1ccc(cc1OC)CN1CCCCC1C(=O)Nc1ccc(c(c1)OC)OC

STL525387
Synonyms: 7- (4,5- dimethoxy- 3- oxo- 1,3- dihydro- 2- benzofuran- 1- yl)- 8- hydroxy- 3,4- dihydro- 2H,6H- pyrimido[2,1- b][1,3]thiazin- 6- one
Smiles: COc1c(OC)ccc2c1C(=O)OC2c1c(O)nc2n(c1=O)CCCS2

STL525388
Synonyms: (3aS,10cS)- 2- [2- (diethylamino)ethyl]- 4,5,6,10c- tetrahydropyrrolo[3,4- c]carbazole- 1,3(2H,3aH)- dione
Smiles: CCN(CCN1C(=O)[C@@H]2[C@H](C1=O)c1c(CC2)[nH]c2c1cccc2)CC

STL525389
Synonyms: prop- 2- en- 1- yl2,3,4,6- tetra- O- acetyl- beta- D- glucopyranoside
Smiles: C=CCO[C@@H]1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C

STL525390
Synonyms: N~2~- [(benzyloxy)carbonyl]- D- arginyl- L- phenylalanine
Smiles: NC(=N)NCCC[C@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)NC(=O)OCc1ccccc1

STL525391
Synonyms: (1R,9aR)- octahydro- 2H- quinolizin- 1- ylmethyl(3,4- dichlorophenyl)carbamate
Smiles: O=C(Nc1ccc(c(c1)Cl)Cl)OC[C@@H]1CCCN2[C@@H]1CCCC2

STL525392
Synonyms: N- (tert- butoxycarbonyl)- D- alanyl- N~5~- [6- (benzyloxy)- 6- oxohexyl]- D- glutamamide
Smiles: O=C(CC[C@H](C(=O)N)NC(=O)[C@H](NC(=O)OC(C)(C)C)C)NCCCCCC(=O)OCc1ccccc1

STL525393
Synonyms: (5alpha,8xi,9xi,14xi,17Z)- 17- (hydroxyimino)androstan- 3- ol
Smiles: O/N=C\1/CCC2[C@]1(C)CCC1C2CC[C@@H]2[C@]1(C)CCC(C2)O

STL525394
Synonyms: (8xi,14xi,16alpha)- 9- fluoro- 17,21- dihydroxy- 16- methyl- 3,20- dioxopregna- 1,4- dien- 11- ylbutanoate
Smiles: CCCC(=O)OC1C[C@@]2(C)C(C3[C@@]1(F)[C@@]1(C)C=CC(=O)C=C1CC3)C[C@H]([C@]2(O)C(=O)CO)C

STL525395
Synonyms: 6- methoxy- 1- undecyl- 4,4a,9,9a- tetrahydro- 3H- beta- carboline
Smiles: CCCCCCCCCCCC1=NCCC2C1Nc1c2cc(cc1)OC

STL525396
Synonyms: 3- (1,3- benzodioxol- 5- yl)- 6- ethyl- 4- oxo- 4H- chromen- 7- yl2,3,4,6- tetra- O- acetyl- alpha- D- glucopyranoside
Smiles: CCc1cc2c(cc1O[C@H]1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C)occ(c2=O)c1ccc2c(c1)OCO2

STL525397
Synonyms: (8xi,9xi,14xi)- 3- (acetyloxy)- 6- methyl- 20- oxopregna- 4,6- dien- 17- ylhexanoate
Smiles: CCCCCC(=O)O[C@@]1(CCC2[C@]1(C)CCC1C2C=C(C2=CC(CC[C@]12C)OC(=O)C)C)C(=O)C

STL525398
Synonyms: 4,6- dimethyl- 2- oxo- N- [(1S)- 1- phenylethyl]- 2H- pyran- 5- carboxamide
Smiles: O=c1cc(C)c(c(o1)C)C(=O)N[C@H](c1ccccc1)C

STL525399
Synonyms: 3- (6- amino- 8- sulfanyl- 3H- purin- 3- yl)propane- 1,2- diol
Smiles: OCC(Cn1cnc(c2c1nc(n2)S)N)O

STL525400
Synonyms: (3alpha,5alpha,8xi,9xi,14xi,17beta)- 17- hydroxy- 17- methylandrostan- 3- yl3- iodobenzoate
Smiles: Ic1cccc(c1)C(=O)O[C@@H]1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CC[C@]2(C)O)C)C

STL525401
Synonyms: 6,7- dimethoxy- 1- {1- [4- (2- methylpropyl)phenyl]ethyl}- 3,4- dihydroisoquinoline
Smiles: COc1cc2c(cc1OC)CCN=C2C(c1ccc(cc1)CC(C)C)C

STL525402
Synonyms: (3'E)- 3'- benzylidene- 8a- hydroxy- 4- (4- methoxyphenyl)- 2- phenylhexahydro- 2'H,4H- spiro[chromene- 3,1'- cyclopentan]- 2'- one
Smiles: COc1ccc(cc1)C1C2CCCCC2(O)OC(C21CC/C(=C\c1ccccc1)/C2=O)c1ccccc1

STL525403
Synonyms: 5- hydroxy- 4- oxo- 2- phenyl- 4H- chromen- 7- yl[(tert- butoxycarbonyl)amino](phenyl)acetate
Smiles: O=C(OC(C)(C)C)NC(c1ccccc1)C(=O)Oc1cc(O)c2c(c1)oc(cc2=O)c1ccccc1

STL525404
Synonyms: 4- [(1R,5S)- 1,5- dimethyl- 9- oxo- 3,7- diazabicyclo[3.3.1]non- 3- yl]- 4- oxobutanoicacid
Smiles: OC(=O)CCC(=O)N1C[C@]2(C)CNC[C@](C1)(C2=O)C

STL525405
Synonyms: N- {[2- (pyridin- 3- yl)piperidin- 1- yl]carbonothioyl}benzamide
Smiles: S=C(N1CCCCC1c1cccnc1)NC(=O)c1ccccc1

STL525406
Synonyms: 5- (anthracen- 9- ylmethyl)- 1,3- dimethyl- 5- {[(1R,5R)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]methyl}pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: O=C1N(C)C(=O)C(C(=O)N1C)(CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cc1c2ccccc2cc2c1cccc2

STL525407
Synonyms: N- [(7R)- 10- (butylamino)- 1,2,3- trimethoxy- 9- oxo- 5,6,7,9- tetrahydrobenzo[a]heptalen- 7- yl]acetamide
Smiles: CCCCNc1ccc2c(cc1=O)[C@@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C

STL525408
Synonyms: 3- (3,4- dihydro- 2H- 1,5- benzodioxepin- 7- yl)- 2- methyl- 4- oxo- 4H- chromen- 7- ylN- (tert- butoxycarbonyl)- D- leucinate
Smiles: CC(C[C@H](C(=O)Oc1ccc2c(c1)oc(c(c2=O)c1ccc2c(c1)OCCCO2)C)NC(=O)OC(C)(C)C)C

STL525409
Synonyms: 6,6- dimethyl- 1,3,5,6,7,9,10,14b- octahydroisoquino[2,1- a][1,5]benzodiazepine- 2,4- dione
Smiles: O=C1NC2=C(N3C(C1)c1ccccc1CC3)CC(CC2=O)(C)C

STL525410
Synonyms: (5alpha,8xi,9xi,14xi,16alpha)- 5- bromo- 6- fluoro- 3- hydroxy- 20- oxo- 16,17- epoxypregnan- 21- ylacetate
Smiles: OC1CC[C@]2([C@@](C1)(Br)C(F)CC1C2CC[C@]2(C1C[C@@H]1[C@]2(O1)C(=O)COC(=O)C)C)C

STL525411
Synonyms: (4R)- 10- chloro- 4- (2- methoxyphenyl)- 2,4- dimethyl- 5,6- dihydro- 4H- benzo[d]cyclohepta[1,2- b:3,4- b']difuran
Smiles: COc1ccccc1[C@@]1(C)CCc2c(c3c1cc(o3)C)c1c(o2)ccc(c1)Cl

STL525412
Synonyms: 3- (3,4- dimethoxyphenyl)- 4',4',6,6- tetramethyl- 3,5,6,7- tetrahydro- 2'H,4H,6'H- spiro[1- benzofuran- 2,1'- cyclohexane]- 2',4,6'- trione
Smiles: COc1ccc(cc1OC)C1C2=C(OC31C(=O)CC(CC3=O)(C)C)CC(CC2=O)(C)C

STL525413
Synonyms: 4- hydroxy- 6- methyl- 3- (2- phenyl- 2,3- dihydro- 1,5- benzothiazepin- 4- yl)- 2H- pyran- 2- one
Smiles: Cc1cc(O)c(c(=O)o1)C1=Nc2ccccc2SC(C1)c1ccccc1

STL525414
Synonyms: (8xi,9xi,14xi)- 17- hydroxy- 6- methylidenepregn- 4- ene- 3,20- dione
Smiles: O=C1CC[C@]2(C(=C1)C(=C)CC1C2CC[C@]2(C1CC[C@]2(O)C(=O)C)C)C

STL525415
Synonyms: N- [2- (4- benzyl- 2,2- dimethyltetrahydro- 2H- pyran- 4- yl)ethyl]- N- (4- methoxybenzyl)propan- 2- amine
Smiles: COc1ccc(cc1)CN(C(C)C)CCC1(CCOC(C1)(C)C)Cc1ccccc1

STL525416
Synonyms: (8xi,9xi,14xi)- 21- [(2- ethyl- 3- hydroxy- 6- methylpyridin- 4- yl)amino]- 17- hydroxypregn- 4- ene- 3,20- dione
Smiles: CCc1nc(C)cc(c1O)NCC(=O)[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C

STL525417
Synonyms: (4R)- 8,10- dibromo- 4- (4- methoxyphenyl)- 2,4- dimethyl- 5,6- dihydro- 4H- benzo[d]cyclohepta[1,2- b:3,4- b']difuran
Smiles: COc1ccc(cc1)[C@@]1(C)CCc2c(c3c1cc(o3)C)c1c(o2)c(Br)cc(c1)Br

STL525418
Synonyms: (1S,5S)- 3- {2- hydroxy- 3- [(2- methoxyphenyl)amino]propyl}- 1,2,3,4,5,6- hexahydro- 8H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 8- one
Smiles: COc1ccccc1NCC(CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)O

STL525419
Synonyms: 5- (1,3- benzodioxol- 5- ylmethyl)- 1,3- dimethyl- 5- {[(5R)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]methyl}- 2- thioxodihydropyrimidine- 4,6(1H,5H)- dione
Smiles: S=C1N(C)C(=O)C(C(=O)N1C)(CN1C[C@H]2CC(C1)c1n(C2)c(=O)ccc1)Cc1ccc2c(c1)OCO2

STL525420
Synonyms: 1,1'- [methanediylbis(oxybenzene- 4,1- diylmethanediyl)]bis(6,7- dimethoxy- 2- methyl- 1,2,3,4- tetrahydroisoquinoline)
Smiles: COc1cc2c(cc1OC)CCN(C2Cc1ccc(cc1)OCOc1ccc(cc1)CC1N(C)CCc2c1cc(OC)c(c2)OC)C

STL525421
Synonyms: 8,10,10- trimethyl- 10a- [(E)- 2- (9- methyl- 9H- carbazol- 3- yl)ethenyl]- 3,4,10,10a- tetrahydropyrimido[1,2- a]indol- 2(1H)- one
Smiles: O=C1CCN2C(N1)(/C=C/c1ccc3c(c1)c1ccccc1n3C)C(C)(C)c1c2ccc(c1)C

STL525422
Synonyms: ethyl2- {[3- (3,4- dihydro- 2H- 1,5- benzodioxepin- 7- yl)- 2- methyl- 4- oxo- 4H- chromen- 7- yl]oxy}propanoate
Smiles: CCOC(=O)C(Oc1ccc2c(c1)oc(c(c2=O)c1ccc2c(c1)OCCCO2)C)C

STL525423
Synonyms: 5- (4,5- dimethoxy- 3- oxo- 1,3- dihydro- 2- benzofuran- 1- yl)- 6- hydroxy- 1- phenylpyrimidine- 2,4(1H,3H)- dione
Smiles: COc1c(OC)ccc2c1C(=O)OC2c1c(=O)[nH]c(=O)n(c1O)c1ccccc1

STL525424
Synonyms: (3beta,5alpha,8xi,9xi,14alpha,17alpha)- 5,14- dihydroxy- 19- oxo- 3- [(pyridin- 3- ylcarbonyl)oxy]card- 20(22)- enolide
Smiles: O=C[C@@]12CC[C@@H](C[C@]2(O)CCC2C1CC[C@]1([C@@]2(O)CC[C@H]1C1=CC(=O)OC1)C)OC(=O)c1cccnc1

STL525425
Synonyms: (1R,9aR)- octahydro- 2H- quinolizin- 1- ylmethyl1- (4- chlorophenyl)cyclopentanecarboxylate
Smiles: Clc1ccc(cc1)C1(CCCC1)C(=O)OC[C@@H]1CCCN2[C@@H]1CCCC2

STL525426
Synonyms: 6- (benzyloxy)- 1- (4- bromophenyl)- 2,3,4,9- tetrahydro- 1H- beta- carboline
Smiles: Brc1ccc(cc1)C1NCCc2c1[nH]c1c2cc(cc1)OCc1ccccc1

STL525427
Synonyms: 10- phenyl- 3,4,9,10- tetrahydropyrrolo[3,4- b][1,5]benzodiazepin- 1(2H)- one
Smiles: O=C1NCC2=C1C(Nc1c(N2)cccc1)c1ccccc1

STL525428
Synonyms: (5S,10S,13S)- 10,13- dimethylhexadecahydrospiro[cyclopenta[a]phenanthrene- 3,2'- [1,3]dioxolan]- 17- ylbenzoate
Smiles: O=C(c1ccccc1)OC1CCC2[C@]1(C)CCC1C2CC[C@@H]2[C@]1(C)CCC1(C2)OCCO1

STL525429
Synonyms: (8xi,9xi,14xi)- 20- oxopregna- 5,16- diene- 3,21- diyldiacetate
Smiles: CC(=O)OCC(=O)C1=CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CCC(C2)OC(=O)C

STL525430
Synonyms: 5- hydroxy- 4- oxo- 2- phenyl- 4H- chromen- 7- ylN- (tert- butoxycarbonyl)valinate
Smiles: O=C(OC(C)(C)C)NC(C(=O)Oc1cc(O)c2c(c1)oc(cc2=O)c1ccccc1)C(C)C

STL525431
Synonyms: 5,8- dihydroxy- 1,4- dioxo- 1,4- dihydronaphthalen- 2- yl2,3,6- tri- O- acetyl- 4- O- (2,3,4,6- tetra- O- acetyl- alpha- D- glucopyranosyl)- beta- D- glucopyranoside
Smiles: CC(=O)OC[C@H]1O[C@@H](OC2=CC(=O)c3c(C2=O)c(O)ccc3O)[C@@H]([C@H]([C@@H]1O[C@H]1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

STL525432
Synonyms: (13E)- 13- (hydroxyimino)- 3,3,11b- trimethyl- 2,3,4,6,7,11b,12,13- octahydro- 1H- isoquino[2,1- a]quinolin- 1- one
Smiles: O/N=C/1\CC2(C)N(C3=C1C(=O)CC(C3)(C)C)CCc1c2cccc1

STL525433
Synonyms: (3alpha,8xi,14xi,17xi,20xi)- 24,24- diphenyl- 3,9- epoxychol- 23- en- 11- one
Smiles: CC(C1CCC2[C@]1(C)CC(=O)[C@]13C2CCC2[C@]3(C)CC[C@H](O1)C2)C/C=C(/c1ccccc1)\c1ccccc1

STL525434
Synonyms: {(2'R,2''R,5''R,6''S,8a''S)- 2'',5'',8a''- trimethyl- 5- oxo- 6''- [(phenylcarbonyl)oxy]decahydro- 2''H- dispiro[furan- 3,4'- furan- 2',1''- naphthalen]- 5''- yl}methylbenzoate
Smiles: O=C1OCC2(C1)CO[C@]1(C2)[C@H](C)CCC2[C@]1(C)CC[C@@H]([C@@]2(C)COC(=O)c1ccccc1)OC(=O)c1ccccc1

STL525435
Synonyms: N- [(5- hydroxypyridin- 3- yl)carbonyl]asparticacid
Smiles: OC(=O)CC(C(=O)O)NC(=O)c1cncc(c1)O

STL525436
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CN1C[C@H]3C[C@@H](C1)c1n(C3)c(=O)ccc1)C1OC31[C@](C2)(C)CCC[C@@H]3C

STL525437
Synonyms: (8xi,9xi,14xi)- 17- (acetylamino)- 3- (acetyloxy)androst- 5- en- 16- yl5- (acetylamino)- 4- methylpentanoate
Smiles: CC(CCC(=O)OC1CC2[C@](C1NC(=O)C)(C)CCC1C2CC=C2[C@]1(C)CCC(C2)OC(=O)C)CNC(=O)C

STL525438
Synonyms: (1S,2S)- 2- [methyl(nitroso)amino]- 1- phenylpropan- 1- ol
Smiles: O[C@H]([C@@H](N(N=O)C)C)c1ccccc1

STL525439
Synonyms: (1R,5S)- 3- [2- methoxy- 5- (2,3,4,9- tetrahydro- 1H- beta- carbolin- 1- yl)benzyl]- 1,2,3,4,5,6- hexahydro- 8H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 8- one
Smiles: COc1ccc(cc1CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)C1NCCc2c1[nH]c1c2cccc1

STL525440
Synonyms: (9R,10S,13S,17R)- 9- fluoro- 11- hydroxy- 10,13,16- trimethyl- 3- oxo- 17- (3- oxopentanoyl)- 6,7,8,9,10,11,12,13,14,15,16,17- dodecahydro- 3H- cyclopenta[a]phenanthren- 17- ylpropanoate(non- preferredname)
Smiles: CCC(=O)O[C@@]1(C(C)CC2[C@]1(C)CC(O)[C@]1(C2CCC2=CC(=O)C=C[C@]12C)F)C(=O)CC(=O)CC

STL525441
Synonyms: N- {(7S)- 10- [(3,4- dimethoxybenzyl)amino]- 1,2,3- trimethoxy- 9- oxo- 5,6,7,9- tetrahydrobenzo[a]heptalen- 7- yl}acetamide
Smiles: COc1ccc(cc1OC)CNc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C

STL525442
Synonyms: (5Z)- 1- phenyl- 5- ({[2- (pyridin- 3- yl)piperidin- 1- yl]amino}methylidene)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: O=C1NC(=O)N(C(=O)/C/1=C\NN1CCCCC1c1cccnc1)c1ccccc1

STL525443
Synonyms: methyl(3beta,5xi,9xi)- 3- (acetyloxy)- 11- oxooleana- 12,18- dien- 30- oate
Smiles: COC(=O)[C@@]1(C)CC[C@]2(C(=C1)C1=CC(=O)C3[C@@]([C@@]1(CC2)C)(C)CCC1[C@]3(C)CC[C@@H](C1(C)C)OC(=O)C)C

STL525444
Synonyms: methyl2- {[3- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 2- ethyl- 4- oxo- 4H- chromen- 7- yl]oxy}propanoate
Smiles: COC(=O)C(Oc1ccc2c(c1)oc(c(c2=O)c1ccc2c(c1)OCCO2)CC)C

STL525445
Synonyms: {(1R,3S)- 3- [(2E)- 2- (hydroxyimino)propyl]- 2,2- dimethylcyclopropyl}acetonitrile
Smiles: O/N=C(/C[C@H]1[C@H](C1(C)C)CC#N)\C

STL525446
Synonyms: (8xi,9xi,14xi,16alpha)- 16,17- dihydroxy- 3,20- dioxopregna- 1,4- diene- 11,21- diyldiacetate
Smiles: CC(=O)OC1C[C@@]2(C)C(C3C1[C@@]1(C)C=CC(=O)C=C1CC3)C[C@H]([C@]2(O)C(=O)COC(=O)C)O

STL525447
Synonyms: 9,10- dimethoxy- 6- propyl- 6,6a- dihydroisoindolo[2,1- a]quinazoline- 5,11- dione
Smiles: CCCN1C2c3ccc(c(c3C(=O)N2c2c(C1=O)cccc2)OC)OC

STL525448
Synonyms: (3aS,6aS)- 5- benzyl- 3- (quinolin- 2- ylcarbonyl)- 3a,6a- dihydropyrrolo[3,4- c]pyrazole- 4,6(1H,5H)- dione
Smiles: O=C(C1=NN[C@H]2[C@@H]1C(=O)N(C2=O)Cc1ccccc1)c1ccc2c(n1)cccc2

STL525449
Synonyms: 3- methyl- 5- (2- methylpropyl)- 2- thioxoimidazolidin- 4- one
Smiles: CC(CC1NC(=S)N(C1=O)C)C

STL525450
Synonyms: (1S,5R)- 3- [4- (3,5- dimethylphenyl)- 3- methylbutanoyl]- 1,2,3,4,5,6- hexahydro- 8H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 8- one
Smiles: CC(CC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cc1cc(C)cc(c1)C

STL525451
Synonyms: 2- ({[(3Z,8xi,9xi,14xi)- 17- hydroxypregn- 4- en- 20- yn- 3- ylidene]amino}oxy)- N- [2- (1H- imidazol- 4- yl)ethyl]acetamide
Smiles: C[C@@]12CC/C(=N/OCC(=O)NCCc3c[nH]cn3)/C=C2CCC2C1CC[C@]1(C2CC[C@]1(O)C#C)C

STL525452
Synonyms: 10- bromo- 2,4- dimethyl- 5,6- dihydro- 4H- benzo[d]cyclohepta[1,2- b:3,4- b']difuran
Smiles: Brc1ccc2c(c1)c1c(o2)CCC(c2c1oc(c2)C)C

STL525453
Synonyms: 4- hydroxy- 6- methyl- 3- [7- (3,4,5- trimethoxyphenyl)- 2,3,6,7- tetrahydro- 1,4- thiazepin- 5- yl]- 2H- pyran- 2- one
Smiles: COc1cc(cc(c1OC)OC)C1SCCN=C(C1)c1c(O)cc(oc1=O)C

STL525454
Synonyms: (5alpha,8xi,9xi,14xi,17Z)- 17- hydrazinylideneandrostan- 3- ol
Smiles: N/N=C\1/CCC2[C@]1(C)CCC1C2CC[C@@H]2[C@]1(C)CCC(C2)O

STL525455
Synonyms: 3- [(5R)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]propanenitrile
Smiles: N#CCCN1C[C@H]2CC(C1)c1n(C2)c(=O)ccc1

STL525456
Synonyms: methylN- (4- oxo- 4- {[(8xi,9xi,14xi)- 3- oxoandrost- 4- en- 17- yl]oxy}butanoyl)tyrosinate
Smiles: COC(=O)C(Cc1ccc(cc1)O)NC(=O)CCC(=O)OC1CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C

STL525457
Synonyms: (11bR)- 2- butyl- 11b- methyl- 2,3,5,6,11,11b- hexahydro- 1H- indolizino[8,7- b]indole
Smiles: CCCCC1CN2[C@@](C1)(C)c1[nH]c3c(c1CC2)cccc3

STL525458
Synonyms: 4- oxo- 6- propyl- 3- (pyridin- 2- yl)- 4H- chromen- 7- ylD- phenylalaninate
Smiles: CCCc1cc2c(cc1OC(=O)[C@@H](Cc1ccccc1)N)occ(c2=O)c1ccccn1

STL525459
Synonyms: 4- {[(8xi,9xi,14xi)- 17- hydroxy- 3,11,20- trioxopregna- 1,4- dien- 21- yl]oxy}- 4- oxobutanoicacid
Smiles: OC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(=O)C1C2CCC2=CC(=O)C=C[C@]12C

STL525460
Synonyms: 2- {3- oxo- 3- [2- (pyridin- 3- yl)piperidin- 1- yl]propyl}- 1H- isoindole- 1,3(2H)- dione
Smiles: O=C(N1CCCCC1c1cccnc1)CCN1C(=O)c2c(C1=O)cccc2

STL525461
Synonyms: (8xi,9xi,14xi)- 11,17- dihydroxy- 3,20- dioxopregna- 1,4- dien- 21- yl2,2- dimethylpropanoate
Smiles: O=C1C=C[C@]2(C(=C1)CCC1C2C(O)C[C@]2(C1CC[C@]2(O)C(=O)COC(=O)C(C)(C)C)C)C

STL525462
Synonyms: 3- methylphenyl2,3,4,6- tetra- O- acetyl- beta- D- glucopyranoside
Smiles: CC(=O)OC[C@H]1O[C@@H](Oc2cccc(c2)C)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C

STL525463
Synonyms: (8xi,14xi)- 17- hydroxy- 3,20- dioxopregna- 1,4,9(11)- trien- 21- ylacetate
Smiles: CC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC=C1C2CCC2=CC(=O)C=C[C@]12C

STL525464
Synonyms: 1- (4- methoxyphenyl)- 5- {[(1S,5R)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]methyl}- 5- (3,4,5- trimethoxybenzyl)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: COc1ccc(cc1)N1C(=O)NC(=O)C(C1=O)(CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cc1cc(OC)c(c(c1)OC)OC

STL525465
Synonyms: (2S,3E)- 4- (quinolin- 2- yl)but- 3- en- 2- ol
Smiles: C[C@@H](/C=C/c1ccc2c(n1)cccc2)O

STL525466
Synonyms:
Smiles: CC1CN(CC(O1)C)CC1C(=O)O[C@H]2[C@H]1CC[C@@]1(C2=C(C)C(=O)C=C1)C

STL525467
Synonyms: 4- (3- methyl- 1,2- oxazol- 5- yl)- 5- phenylcyclohexane- 1,3- dione
Smiles: O=C1CC(=O)C(C(C1)c1ccccc1)c1onc(c1)C

STL525468
Synonyms: (4R)- 4- amino- 5- {2- [(10R,13S,17R)- 11,17- dihydroxy- 10,13- dimethyl- 3- oxo- 2,3,6,7,8,9,10,11,12,13,14,15,16,17- tetradecahydro- 1H- cyclopenta[a]phenanthren- 17- yl]- 2- oxoethoxy}- 5- oxopentanoicacid(non- prefer
Smiles: OC(=O)CC[C@H](C(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)CC[C@]12C)N

STL525469
Synonyms: N- [(7S)- 1,2,3- trimethoxy- 9- oxo- 10- {[2- (trifluoromethyl)benzyl]amino}- 5,6,7,9- tetrahydrobenzo[a]heptalen- 7- yl]acetamide
Smiles: COc1cc2CC[C@@H](c3c(c2c(c1OC)OC)ccc(c(=O)c3)NCc1ccccc1C(F)(F)F)NC(=O)C

STL525470
Synonyms: (10b'S)- 8',9'- dimethoxy- 4,4- dimethyl- 6',10b'- dihydro- 2H,5'H,6H- spiro[cyclohexane- 1,1'- pyrrolo[2,1- a]isoquinoline]- 2,3',6(2'H)- trione
Smiles: COc1cc2CCN3C(c2cc1OC)C1(CC3=O)C(=O)CC(CC1=O)(C)C

STL525471
Synonyms: (8xi,9xi,14xi)- 17- {[(4- methylphenyl)sulfonyl]oxy}androst- 5- en- 3- ylacetate
Smiles: CC(=O)OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3CCC2OS(=O)(=O)c2ccc(cc2)C)C)C1)C

STL525472
Synonyms: N- {2- [(2- oxo- 4- phenyl- 2H- chromen- 7- yl)oxy]propanoyl}- D- alanine
Smiles: O=C(C(Oc1ccc2c(c1)oc(=O)cc2c1ccccc1)C)N[C@@H](C(=O)O)C

STL525473
Synonyms: methyl{[({[(3Z,8xi,9xi,14xi)- 17- hydroxypregn- 4- en- 20- yn- 3- ylidene]amino}oxy)acetyl]amino}(phenyl)acetate
Smiles: COC(=O)C(c1ccccc1)NC(=O)CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C#C)C)C

STL525474
Synonyms: (8xi,14xi)- 17,21- dihydroxypregna- 4,9(11)- diene- 3,20- dione
Smiles: OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC=C1C2CCC2=CC(=O)CC[C@]12C

STL525475
Synonyms: (11aS)- 2- cyclohexyl- 5- (4- fluorophenyl)- 3- thioxo- 2,3,5,6,11,11a- hexahydro- 1H- imidazo[1',5':1,6]pyrido[3,4- b]indol- 1- one
Smiles: Fc1ccc(cc1)C1N2[C@@H](Cc3c1[nH]c1c3cccc1)C(=O)N(C2=S)C1CCCCC1

STL525476
Synonyms: N- [(4- hydroxyphenyl)carbonyl]valine
Smiles: CC(C(C(=O)O)NC(=O)c1ccc(cc1)O)C

STL525477
Synonyms: diethyl6,7,8,9,9a,10,11,12,13,14- decahydro- 2H- benzimidazo[2,1- e]acridin- 2- ylidenepropanedioate
Smiles: CCOC(=O)C(=c1ccc2=NC34N(c2c1)C1=C(CCCC1)CC4CCCC3)C(=O)OCC

STL525478
Synonyms: (5xi,6alpha,8xi,9beta,17xi,24S)- 25- hydroxy- 6- [(2,3,4,6- tetra- O- acetylhexopyranosyl)oxy]- 3- [(2,3,4- tri- O- acetylpentopyranosyl)oxy]- 20,24- epoxy- 9,19- cyclolanostan- 16- ylacetate
Smiles: CC(=O)OCC1OC(O[C@H]2CC3[C@]4([C@@]5(C2C(C)(C)C(CC5)OC2OCC(C(C2OC(=O)C)OC(=O)C)OC(=O)C)C4)CC[C@]2([C@@]3(C)CC(C2[C@]2(C)CC[C@H](O2)C(O)(C)C)OC(=O)C)C)C(C(C1OC(=O)C)OC(=O)C)OC(=O)C

STL525479
Synonyms: methyl(2S,4aS,6aS,6bR,15aS)- 2,4a,6a,6b,9,9,15a- heptamethyl- 16- oxo- 2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,15,15a,15b,16,17b- octadecahydro- 1H- chryseno[2,1- b]carbazole- 2- carboxylate
Smiles: COC(=O)[C@@]1(C)CC[C@]2(C(C1)C1=CC(=O)C3[C@@]([C@@]1(CC2)C)(C)CCC1[C@]3(C)Cc2c3ccccc3[nH]c2C1(C)C)C

STL525480
Synonyms: 1''- benzyldispiro[cyclopentane- 1,2'- pyrrolidine- 3',3''- indol]- 2''(1''H)- one
Smiles: O=C1N(Cc2ccccc2)c2c(C31CCNC13CCCC1)cccc2

STL525481
Synonyms: 4- oxo- 3- phenoxy- 4H- chromen- 7- ylisoleucinate
Smiles: CCC(C(C(=O)Oc1ccc2c(c1)occ(c2=O)Oc1ccccc1)N)C

STL525482
Synonyms: 2- benzyl- 4,5- dimethoxy- N- (4- methoxyphenyl)- 3- oxo- 2,3- dihydro- 1H- isoindole- 1- carboxamide
Smiles: COc1ccc(cc1)NC(=O)C1c2ccc(c(c2C(=O)N1Cc1ccccc1)OC)OC

STL525483
Synonyms: (8xi,14xi,17xi)- 3,12- bis(acetyloxy)- 14- hydroxycard- 20(22)- enolide
Smiles: CC(=O)OC1C[C@H]2C(C3([C@@]1(C)C(CC3)C1=CC(=O)OC1)O)CCC1[C@]2(C)CCC(C1)OC(=O)C

STL525484
Synonyms: 3- [2- (1,3- benzodioxol- 5- yl)- 2,3- dihydro- 1,5- benzothiazepin- 4- yl]- 4- hydroxy- 6- methyl- 2H- pyran- 2- one
Smiles: Cc1cc(O)c(c(=O)o1)C1=Nc2ccccc2SC(C1)c1ccc2c(c1)OCO2

STL525485
Synonyms: 4- methyl- 1,2,5,9b- tetrahydronaphtho[2,1- b]thiophene- 6,9- diol3,3- dioxide
Smiles: CC1=C2C(c3c(C1)c(O)ccc3O)CCS2(=O)=O

STL525486
Synonyms: (1R)- 3- [2- hydroxy- 3- (prop- 2- en- 1- ylsulfanyl)propyl]- 1,2,3,4,5,6- hexahydro- 8H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 8- one
Smiles: C=CCSCC(CN1CC2C[C@@H](C1)c1n(C2)c(=O)ccc1)O

STL525487
Synonyms: 4- (8- ethyl- 8- methyl- 9- oxa- 2- azaspiro[5.5]undec- 2- yl)- N,N- dimethylbut- 2- yn- 1- amine
Smiles: CCC1(C)OCCC2(C1)CCCN(C2)CC#CCN(C)C

STL525488
Synonyms: 1,3,4,6,8- pentamethyl- 5- [(E)- 2- phenylethenyl]hexahydropyrimido[4,5- d]pyrimidine- 2,7(1H,3H)- dione
Smiles: CC1N(C)C(=O)N(C2C1C(/C=C/c1ccccc1)N(C)C(=O)N2C)C

STL525489
Synonyms: (8xi,9xi,14xi,17xi,20xi)- cholest- 5- en- 3- ylformate
Smiles: O=COC1CC[C@]2(C(=CCC3C2CC[C@]2(C3CCC2C(CCCC(C)C)C)C)C1)C

STL525490
Synonyms: 1- (1- methyl- 1,3,4,9- tetrahydro- 2H- beta- carbolin- 2- yl)hexadecan- 1- one
Smiles: CCCCCCCCCCCCCCCC(=O)N1CCc2c(C1C)[nH]c1c2cccc1

STL525491
Synonyms: but- 3- ene- 1,2,3- tricarboxylicacid
Smiles: OC(=O)CC(C(=C)C(=O)O)C(=O)O

STL525492
Synonyms: (8xi,9xi,14xi,17xi)- 16- chloro- 20- oxopregn- 5- en- 3- ylacetate
Smiles: CC(=O)OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3CC(C2C(=O)C)Cl)C)C1)C

STL525493
Synonyms: (3S,10R,13R)- 3- chloro- 10,13- dimethyl- 17- octyl- 2,3,4,7,8,9,10,11,12,13,14,15,16,17- tetradecahydro- 1H- cyclopenta[a]phenanthrene(non- preferredname)
Smiles: CCCCCCCCC1CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CC[C@@H](C2)Cl

STL525494
Synonyms: 3- hydroxy- 1,4- dioxo- 1,4- dihydronaphthalen- 2- yl2,3,4,6- tetra- O- acetyl- 1- thio- beta- D- glucopyranoside
Smiles: CC(=O)OC[C@H]1O[C@@H](SC2=C(O)C(=O)c3c(C2=O)cccc3)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C

STL525495
Synonyms: 2,2- dimethyl- N- [4- (propan- 2- yloxy)benzyl]tetrahydro- 2H- pyran- 4- amine
Smiles: CC(Oc1ccc(cc1)CNC1CCOC(C1)(C)C)C

STL525496
Synonyms: (4aR,9bR)- N- cyclohexyl- 2,8- dimethyl- 1,2,3,4,4a,9b- hexahydro- 5H- pyrido[4,3- b]indole- 5- carbothioamide
Smiles: CN1CC[C@@H]2[C@@H](C1)c1cc(C)ccc1N2C(=S)NC1CCCCC1

STL525497
Synonyms: (3alpha,5alpha,8xi,9xi,14xi,16alpha)- 17- hydroxy- 16- methyl- 20- oxopregnan- 3- ylbenzoate
Smiles: C[C@@H]1CC2[C@]([C@@]1(O)C(=O)C)(C)CCC1C2CC[C@@H]2[C@]1(C)CC[C@H](C2)OC(=O)c1ccccc1

STL525498
Synonyms: S- [(3S,10R,13R)- 10,13- dimethyl- 17- octyl- 2,3,4,7,8,9,10,11,12,13,14,15,16,17- tetradecahydro- 1H- cyclopenta[a]phenanthren- 3- yl]2- bromopropanethioate(non- preferredname)
Smiles: CCCCCCCCC1CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CC[C@@H](C2)SC(=O)C(Br)C

STL525499
Synonyms: 8- hydroxy- 1,4- dioxo- 1,4- dihydronaphthalen- 2- yl2,3,4,6- tetra- O- acetyl- 1- thio- D- glucopyranoside
Smiles: CC(=O)OC[C@H]1OC(SC2=CC(=O)c3c(C2=O)c(O)ccc3)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C

STL525500
Synonyms: (8xi,9xi,14xi)- 20- oxopregna- 5,16- dien- 3- yl3- (morpholin- 4- yl)propanoate
Smiles: O=C(OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3CC=C2C(=O)C)C)C1)C)CCN1CCOCC1

STL525501
Synonyms: N- [2- (1- benzyl- 5- methyl- 2- oxo- 2,3- dihydro- 1H- indol- 3- yl)ethyl]acetamide
Smiles: CC(=O)NCCC1c2cc(C)ccc2N(C1=O)Cc1ccccc1

STL525502
Synonyms: (8xi,9xi,14xi,17xi,20xi)- 24,24- diphenylchola- 4,23- dien- 3- one
Smiles: O=C1CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2C(C/C=C(/c1ccccc1)\c1ccccc1)C)C)C

STL525503
Synonyms: 1- {4- [(2- chlorobenzyl)oxy]- 3- ethoxyphenyl}- 2,3,4,9- tetrahydro- 1H- beta- carboline
Smiles: CCOc1cc(ccc1OCc1ccccc1Cl)C1NCCc2c1[nH]c1c2cccc1

STL525504
Synonyms: N,N- dibenzyl- 3- (2,5,5- trimethyl- 3,4,4a,10b- tetrahydro- 2H,5H- pyrano[3,2- c]chromen- 2- yl)prop- 2- yn- 1- amine
Smiles: CC1(C#CCN(Cc2ccccc2)Cc2ccccc2)CCC2C(O1)c1ccccc1OC2(C)C

STL525505
Synonyms: ({[(3Z,8xi,9xi,14xi,17xi)- 20- oxopregn- 4- en- 3- ylidene]amino}oxy)aceticacid
Smiles: OC(=O)CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2C(=O)C)C)C

STL525506
Synonyms: methylN- ({[3- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 5- hydroxy- 4- oxo- 4H- chromen- 7- yl]oxy}acetyl)- D- tryptophanate
Smiles: COC(=O)[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)COc1cc(O)c2c(c1)occ(c2=O)c1ccc2c(c1)OCCO2

STL525507
Synonyms: (8xi,9xi,14xi,20E)- 20- [(acetyloxy)imino]pregna- 5,16- dien- 3- ylacetate
Smiles: CC(=O)O/N=C(/C1=CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CCC(C2)OC(=O)C)\C

STL525508
Synonyms:
Smiles: COc1ccc(cc1)N1CCN(CC1)CC1C(=O)O[C@H]2[C@@H]1C=C1[C@@H](C)CCC[C@@]1(C2)C

STL525509
Synonyms: 2- [4- (4- methoxyphenyl)- 2,2- dimethyltetrahydro- 2H- pyran- 4- yl]ethanamine
Smiles: NCCC1(CCOC(C1)(C)C)c1ccc(cc1)OC

STL525510
Synonyms: (8xi,9xi,14xi,17xi)- 3,20- dioxopregn- 4- en- 21- yl2,2- dimethylpropanoate
Smiles: O=C1CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2C(=O)COC(=O)C(C)(C)C)C)C

STL525511
Synonyms: 2,4- dimethyl- 4- phenyl- 5,6- dihydro- 4H- benzo[d]cyclohepta[1,2- b:3,4- b']difuran
Smiles: Cc1oc2c(c1)C(C)(CCc1c2c2ccccc2o1)c1ccccc1

STL525512
Synonyms: (17E)- 17- (2- phenylhydrazinylidene)- 2,16- didehydrocur- 19- en
Smiles: C/C=C\1/CN2CCC34[C@@H]2C[C@@H]1C(=C3Nc1c4cccc1)/C=N/Nc1ccccc1

STL525513
Synonyms: methyl(3beta,5xi,9xi)- 3- hydroxy- 11- oxooleana- 12,18- dien- 30- oate
Smiles: COC(=O)[C@@]1(C)CC[C@]2(C(=C1)C1=CC(=O)C3[C@@]([C@@]1(CC2)C)(C)CCC1[C@]3(C)CC[C@@H](C1(C)C)O)C

STL525514
Synonyms: methylN- {[(2- methyl- 4- oxo- 3- phenoxy- 4H- chromen- 7- yl)oxy]acetyl}- D- leucinate
Smiles: COC(=O)[C@H](NC(=O)COc1ccc2c(c1)oc(c(c2=O)Oc1ccccc1)C)CC(C)C

STL525515
Synonyms: (2S)- 4- oxo- 2- phenyl- 3,4- dihydro- 2H- chromene- 5,7- diyldiacetate
Smiles: CC(=O)Oc1cc2O[C@@H](CC(=O)c2c(c1)OC(=O)C)c1ccccc1

STL525516
Synonyms: 1- (4- ethylphenyl)- 5- (2- methoxybenzyl)- 5- {[(1R,5R)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]methyl}pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCc1ccc(cc1)N1C(=O)NC(=O)C(C1=O)(CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cc1ccccc1OC

STL525517
Synonyms: (8xi,14xi,16alpha)- 9- fluoro- 16- methyl- 3,20- dioxopregna- 1,4- diene- 11,17,21- triyltriacetate
Smiles: CC(=O)OC1C[C@@]2(C)C(C3[C@@]1(F)[C@@]1(C)C=CC(=O)C=C1CC3)C[C@H]([C@]2(OC(=O)C)C(=O)COC(=O)C)C

STL525518
Synonyms: (8xi,9xi,14xi,16xi,17xi,20xi)- 28- acetylspirosol- 5- en- 3- ylbenzoate
Smiles: CC1CCC2(N(C1)C(=O)C)OC1C(C2C)[C@@]2(C(C1)C1CC=C3[C@](C1CC2)(C)CCC(C3)OC(=O)c1ccccc1)C

STL525519
Synonyms: N- dodecanoyltryptophan
Smiles: CCCCCCCCCCCC(=O)NC(C(=O)O)Cc1c[nH]c2c1cccc2

STL525520
Synonyms: 7,7- dimethyl- 4- (2- methyl- 1,3- thiazol- 4- yl)- 1,8- dioxaspiro[4.5]decan- 2- one
Smiles: O=C1CC(C2(O1)CCOC(C2)(C)C)c1csc(n1)C

STL525521
Synonyms: 1- [5- bromo- 2- (pyridin- 2- ylmethoxy)phenyl]- 2,3,4,9- tetrahydro- 1H- beta- carboline- 3- carboxylicacid
Smiles: Brc1ccc(c(c1)C1NC(Cc2c1[nH]c1c2cccc1)C(=O)O)OCc1ccccn1

STL525522
Synonyms: 2- ethoxy- 4- (2,3,4,9- tetrahydro- 1H- beta- carbolin- 1- yl)phenol
Smiles: CCOc1cc(ccc1O)C1NCCc2c1[nH]c1c2cccc1

STL525523
Synonyms: 5- (1,3- benzodioxol- 5- ylmethyl)- 1- (4- ethylphenyl)- 5- {[(1S,5R)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]methyl}pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCc1ccc(cc1)N1C(=O)NC(=O)C(C1=O)(CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cc1ccc2c(c1)OCO2

STL525524
Synonyms: (2Z,2'Z)- 2,2'- (3Z,5alpha,8xi,9xi,14xi,17Z)- androstane- 3,17- diylidenedihydrazinecarbothioamide
Smiles: NC(=S)N/N=C\1/CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CC/C/2=N/NC(=S)N)C)C

STL525525
Synonyms: N- [(7S)- 1,2,3- trimethoxy- 10- {[2- (2- methoxyphenyl)ethyl]amino}- 9- oxo- 5,6,7,9- tetrahydrobenzo[a]heptalen- 7- yl]acetamide
Smiles: COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1[C@H](CC2)NC(=O)C)NCCc1ccccc1OC

STL525526
Synonyms: N- [(1,3- dimethyl- 2,4,6- trioxotetrahydropyrimidin- 5(2H)- ylidene)methyl]glycyltryptophan
Smiles: O=C(NC(C(=O)O)Cc1c[nH]c2c1cccc2)CNC=C1C(=O)N(C)C(=O)N(C1=O)C

STL525527
Synonyms: ethyl(2Z)- 2- [(8xi,9xi,14xi,16alpha,20Z)- 3,16- bis(acetyloxy)- 17- hydroxypregn- 5- en- 20- ylidene]hydrazinecarboxylate
Smiles: CCOC(=O)N/N=C(\[C@@]1(O)[C@H](OC(=O)C)CC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CCC(C2)OC(=O)C)/C

STL525528
Synonyms: N- ({[3- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 2- methyl- 4- oxo- 4H- chromen- 7- yl]oxy}acetyl)- L- leucylglycinamide
Smiles: CC(C[C@@H](C(=O)NCC(=O)N)NC(=O)COc1ccc2c(c1)oc(c(c2=O)c1ccc2c(c1)OCCO2)C)C

STL525529
Synonyms: 1- benzyl- 5- (4,5- dimethoxy- 3- oxo- 1,3- dihydro- 2- benzofuran- 1- yl)- 6- hydroxypyrimidine- 2,4(1H,3H)- dione
Smiles: COc1c(OC)ccc2c1C(=O)OC2c1c(=O)[nH]c(=O)n(c1O)Cc1ccccc1

STL525530
Synonyms: (8xi,9xi,14xi)- 3,20- dioxopregn- 4- en- 17- ylpropanoate
Smiles: CCC(=O)O[C@@]1(CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)C(=O)C

STL525531
Synonyms: (7S)- 10- [(2,3- dimethoxybenzyl)amino]- 1,2,3- trimethoxy- 7- (methylamino)- 6,7- dihydrobenzo[a]heptalen- 9(5H)- one
Smiles: CN[C@H]1CCc2c(c3c1cc(=O)c(cc3)NCc1cccc(c1OC)OC)c(OC)c(c(c2)OC)OC

STL525532
Synonyms: (1R,5R)- N- (naphthalen- 1- yl)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocine- 3(4H)- carboxamide
Smiles: O=C(N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Nc1cccc2c1cccc2

STL525533
Synonyms: (8xi,9xi,14xi,17xi)- 3- [(bromoacetyl)oxy]- 14- hydroxycard- 20(22)- enolide
Smiles: BrCC(=O)OC1CC[C@]2(C(C1)CCC1C2CC[C@]2(C1(O)CCC2C1=CC(=O)OC1)C)C

STL525534
Synonyms: N- [(7S)- 1,2,3- trimethoxy- 10- (morpholin- 4- yl)- 9- oxo- 5,6,7,9- tetrahydrobenzo[a]heptalen- 7- yl]acetamide
Smiles: COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N2CCOCC2)NC(=O)C)cc(c1OC)OC

STL525535
Synonyms: (5alpha,6alpha,8xi,9xi,14xi)- 17- oxo- 5,6- epoxyandrostan- 3- ylacetate
Smiles: CC(=O)OC1CC[C@]2([C@@]3(C1)O[C@H]3CC1C2CC[C@]2(C1CCC2=O)C)C

STL525536
Synonyms: 3- [2- (4- fluorophenyl)ethyl]- 5- (4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium- 5- yl)- 2,6- dioxo- 1,2,3,6- tetrahydropyrimidin- 4- olate
Smiles: COc1c2OCOc2cc2c1C([NH+](CC2)C)c1c(=O)[nH]c(=O)n(c1[O-])CCc1ccc(cc1)F

STL525537
Synonyms: (4aR,6aR)- 4a,6a- dimethyl- 8- (6- methylheptan- 2- yl)- 1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11- hexadecahydrochrysen- 2- yl[(6- chloro- 2- oxo- 4- phenyl- 2H- chromen- 7- yl)oxy]acetate
Smiles: CC(CCCC(C1CCC2[C@](C1)(C)CCC1C2CC=C2[C@]1(C)CCC(C2)OC(=O)COc1cc2oc(=O)cc(c2cc1Cl)c1ccccc1)C)C

STL525538
Synonyms: 1- {4- [(2- chlorobenzyl)oxy]- 3- ethoxyphenyl}- 6- methoxy- 2,3,4,9- tetrahydro- 1H- beta- carboline
Smiles: CCOc1cc(ccc1OCc1ccccc1Cl)C1NCCc2c1[nH]c1c2cc(cc1)OC

STL525539
Synonyms: 1- (3,4,4- trimethyl- 3b,4,4a,5- tetrahydro- 1H- cyclopropa[3,4]cyclopenta[1,2- c]pyrazol- 1- yl)ethanone
Smiles: Cc1nn(c2c1C1C(C2)C1(C)C)C(=O)C

STL525540
Synonyms: (8xi,9xi,14xi,17beta)- 4- chloro- 17- hydroxy- 17- methylandrosta- 1,4- dien- 3- one
Smiles: O=C1C=C[C@]2(C(=C1Cl)CCC1C2CC[C@]2(C1CC[C@]2(C)O)C)C

STL525541
Synonyms: (2E)- N- (2- acetyl- 6,6- dimethylbicyclo[3.1.0]hex- 2- en- 3- yl)- 3- phenylprop- 2- enamide
Smiles: O=C(NC1=C(C(=O)C)C2C(C1)C2(C)C)/C=C/c1ccccc1

STL525542
Synonyms: 4- hydroxy- 3- {2- [2- hydroxy- 3- (prop- 2- en- 1- yl)phenyl]- 2,3- dihydro- 1,5- benzothiazepin- 4- yl}- 6- methyl- 2H- pyran- 2- one
Smiles: C=CCc1cccc(c1O)C1Sc2ccccc2N=C(C1)c1c(O)cc(oc1=O)C

STL525543
Synonyms: N- {2- [(2- oxo- 4- phenyl- 2H- chromen- 7- yl)oxy]propanoyl}- D- leucine
Smiles: CC(C[C@H](C(=O)O)NC(=O)C(Oc1ccc2c(c1)oc(=O)cc2c1ccccc1)C)C

STL525544
Synonyms: [(1R,9R)- 6,8,9- trimethyl- 4- (2- phenylethyl)- 3- oxabicyclo[3.3.1]non- 6- en- 1- yl]methylphenylcarbamate
Smiles: O=C(Nc1ccccc1)OC[C@]12COC(C([C@H]2C)C(=CC1C)C)CCc1ccccc1

STL525545
Synonyms: methyl(2R)- 2- {[(3,4- dihydroxy- 6- {[(6aR,6bS,8aS,11S,14bS)- 11- {[(2S)- 1- methoxy- 3- methyl- 1- oxobutan- 2- yl]carbamoyl}- 4,4,6a,6b,8a,11,14b- heptamethyl- 14- oxo- 1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,1
Smiles: COC(=O)[C@@H](C(C)C)NC(=O)C1OC(OC2CC[C@]3(C(C2(C)C)CC[C@@]2(C3C(=O)C=C3[C@@]2(C)CC[C@@]2(C3C[C@](C)(CC2)C(=O)N[C@H](C(=O)OC)C(C)C)C)C)C)C(C(C1O)O)OC1OC(C(=O)N[C@@H](C(=O)OC)C(C)C)C(C(C1O)O)O

STL525546
Synonyms: methylN- [({[(3Z,8xi,9xi,14xi)- 17- hydroxypregn- 4- en- 20- yn- 3- ylidene]amino}oxy)acetyl]tyrosinate
Smiles: COC(=O)C(Cc1ccc(cc1)O)NC(=O)CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C#C)C)C

STL525547
Synonyms: methylN- [(benzyloxy)carbonyl]- D- histidyl- L- methioninate
Smiles: CSCC[C@@H](C(=O)OC)NC(=O)[C@@H](Cc1[nH]cnc1)NC(=O)OCc1ccccc1

STL525548
Synonyms: (5R)- 3- {[(5Z)- 5- (3- methoxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]acetyl}- 1,2,3,4,5,6- hexahydro- 8H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 8- one
Smiles: COc1cccc(c1)/C=C/1\SC(=S)N(C1=O)CC(=O)N1C[C@H]2CC(C1)c1n(C2)c(=O)ccc1

STL525549
Synonyms: (3beta,5xi,9xi)- 3- (hydroxymethoxy)- 11- oxooleana- 12,18- dien- 30- oicacid
Smiles: OCO[C@H]1CC[C@]2(C(C1(C)C)CC[C@@]1(C2C(=O)C=C2[C@@]1(C)CC[C@@]1(C2=C[C@](C)(CC1)C(=O)O)C)C)C

STL525550
Synonyms: (3'E)- 3'- benzylidene- 8a- hydroxy- 2- phenylhexahydro- 2'H,4H- spiro[chromene- 3,1'- cyclopentan]- 2'- one
Smiles: O=C1/C(=C/c2ccccc2)/CCC21CC1CCCCC1(OC2c1ccccc1)O

STL525551
Synonyms: (8xi,14xi,17xi)- 3,5,14- trihydroxy- 19- nitrilocard- 20(22)- enolide
Smiles: N#C[C@@]12CCC(CC2(O)CCC2[C@@H]1CC[C@]1(C2(O)CCC1C1=CC(=O)OC1)C)O

STL525552
Synonyms: 4- methyl- 1,2,5,11b- tetrahydroanthra[2,1- b]thiophene- 6,11- dione3,3- dioxide
Smiles: CC1=C2C(C3=C(C1)C(=O)c1c(C3=O)cccc1)CCS2(=O)=O

STL525553
Synonyms: 2- (6,7- dimethoxy- 1- methyl- 3,4- dihydroisoquinolin- 2(1H)- yl)- 1- (3- nitrophenyl)ethanol
Smiles: COc1cc2CCN(C(c2cc1OC)C)CC(c1cccc(c1)[N+](=O)[O-])O

STL525554
Synonyms: methyl1- (2,3,4- trimethoxyphenyl)- 2,3,4,9- tetrahydro- 1H- beta- carboline- 3- carboxylate
Smiles: COC(=O)C1NC(c2ccc(c(c2OC)OC)OC)c2c(C1)c1ccccc1[nH]2

STL525555
Synonyms:
Smiles: COc1ccccc1N1CCN(CC1)CC1C(=O)O[C@H]2[C@@H]1C=C1[C@@H](C)CCC[C@@]1(C2)C

STL525556
Synonyms: 2,3,9,10- tetramethoxy- 6- (4- methoxyphenyl)- 6,6a- dihydroisoindolo[2,1- a]quinazoline- 5,11- dione
Smiles: COc1ccc(cc1)N1C(=O)c2cc(OC)c(cc2N2C1c1ccc(c(c1C2=O)OC)OC)OC

STL525557
Synonyms: (8xi,9xi,14xi)- 20- oxopregn- 4- ene- 3,17- diyldiacetate
Smiles: CC(=O)OC1CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(OC(=O)C)C(=O)C)C)C

STL525558
Synonyms: N- (2,3- dimethoxybenzyl)- 4- oxo- 4- [(1R,5R)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]butanamide
Smiles: COc1cccc(c1OC)CNC(=O)CCC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

STL525559
Synonyms: (8xi,9xi,14xi,17xi)- 3- [(chloroacetyl)oxy]- 5,14- dihydroxy- 19- oxocard- 20(22)- enolide
Smiles: ClCC(=O)OC1CC[C@]2(C(C1)(O)CCC1C2CC[C@]2(C1(O)CCC2C1=CC(=O)OC1)C)C=O

STL525560
Synonyms: 4- methoxy- 6- methyl- 5- (3- phenoxyprop- 1- yn- 1- yl)- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinoline
Smiles: COc1c2c(CCN(C2C#CCOc2ccccc2)C)cc2c1OCO2

STL525561
Synonyms: (2R,4aR,6aS)- 6b- acetyl- 4a,6a- dimethyl- 2,3,4,4a,4b,5,6,6a,6b,7,10,10a,11,11a,11b,12- hexadecahydro- 1H- indeno[2,1- a]phenanthren- 2- ylacetate
Smiles: CC(=O)O[C@@H]1CC[C@]2(C(=CCC3C2CC[C@]2(C3CC3C2(CC=CC3)C(=O)C)C)C1)C

STL525562
Synonyms: 5- (4,5- dimethoxy- 3- oxo- 1,3- dihydro- 2- benzofuran- 1- yl)- 6- hydroxy- 1- (prop- 2- en- 1- yl)pyrimidine- 2,4(1H,3H)- dione
Smiles: C=CCn1c(=O)[nH]c(=O)c(c1O)C1OC(=O)c2c1ccc(c2OC)OC

STL525563
Synonyms: (8xi,14xi,16alpha)- 9- fluoro- 16- methyl- 3,20- dioxo- 17,21- bis(propanoyloxy)pregna- 1,4- dien- 11- ylhexanoate
Smiles: CCCCCC(=O)OC1C[C@@]2(C)C(C3[C@@]1(F)[C@@]1(C)C=CC(=O)C=C1CC3)C[C@H]([C@]2(OC(=O)CC)C(=O)COC(=O)CC)C

STL525564
Synonyms: (6aR,6bS,11aS,12S)- 11a- methyl- 12- (phenylcarbonyl)- 6a,6b,10,11,11a,12- hexahydro- 8,11- epoxyoxepino[4',5':3,4]pyrrolo[1,2- a]quinolin- 7(8H)- one
Smiles: O=C1C2OCC(O2)[C@]2([C@H]1[C@H]1C=Cc3c(N1[C@@H]2C(=O)c1ccccc1)cccc3)C

STL525565
Synonyms: N- {(7S)- 10- [(1,3- benzodioxol- 5- ylmethyl)amino]- 1,2,3- trimethoxy- 9- oxo- 5,6,7,9- tetrahydrobenzo[a]heptalen- 7- yl}acetamide
Smiles: COc1cc2CC[C@@H](c3c(c2c(c1OC)OC)ccc(c(=O)c3)NCc1ccc2c(c1)OCO2)NC(=O)C

STL525566
Synonyms: 1- (5- bromo- 2- hydroxyphenyl)- 2,3,4,9- tetrahydro- 1H- beta- carboline- 3- carboxylicacid
Smiles: Brc1ccc(c(c1)C1NC(Cc2c1[nH]c1c2cccc1)C(=O)O)O

STL525567
Synonyms: 5- hydroxy- 4- oxo- 2- phenyl- 4H- chromen- 7- ylN- (tert- butoxycarbonyl)alaninate
Smiles: O=C(OC(C)(C)C)NC(C(=O)Oc1cc(O)c2c(c1)oc(cc2=O)c1ccccc1)C

STL525568
Synonyms: 10,10- dimethyl- 10a- [(1E,3E)- 4- phenylbuta- 1,3- dien- 1- yl]- 3,4,10,10a- tetrahydropyrimido[1,2- a]indol- 2(1H)- one
Smiles: O=C1CCN2C(N1)(/C=C/C=C/c1ccccc1)C(C)(C)c1c2cccc1

STL525569
Synonyms:
Smiles: OCC(C(C([C@H]1OC(=O)[C@@H]([C@@H]1O)O)O)O)O

STL525570
Synonyms: (3aR,9aS)- 2- (4- methoxyphenyl)- 5,5- dimethyl- 3a,4,5,6,7,8,9,9a- octahydro- 1H- benzo[f]isoindole- 1,3(2H)- dione
Smiles: COc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)CC1=C(C2)CCCC1(C)C

STL525571
Synonyms: 3- {2- [4- (dimethylamino)phenyl]- 2,3- dihydro- 1,5- benzothiazepin- 4- yl}- 4- hydroxy- 6- methyl- 2H- pyran- 2- one
Smiles: Cc1cc(O)c(c(=O)o1)C1=Nc2ccccc2SC(C1)c1ccc(cc1)N(C)C

STL525572
Synonyms: N,N'- propane- 1,2- diylbis(5- hydroxypyridine- 3- carboxamide)
Smiles: CC(NC(=O)c1cncc(c1)O)CNC(=O)c1cncc(c1)O

STL525573
Synonyms: 3- (4- ethoxyphenyl)- 6,7- dimethoxy- 1- (trichloromethyl)- 1H- isochromene
Smiles: CCOc1ccc(cc1)C1=Cc2cc(OC)c(cc2C(O1)C(Cl)(Cl)Cl)OC

STL525574
Synonyms: (7S)- 1,2,3- trimethoxy- 10- {[2- (2- methoxyphenyl)ethyl]amino}- 7- (methylamino)- 6,7- dihydrobenzo[a]heptalen- 9(5H)- one
Smiles: CN[C@H]1CCc2c(c3c1cc(=O)c(cc3)NCCc1ccccc1OC)c(OC)c(c(c2)OC)OC

STL525575
Synonyms: 6- (hydroxymethyl)- 2,2- dimethyldihydrofuro[3,4- d][1,3]dioxol- 4(3aH)- one(non- preferredname)
Smiles: OCC1OC(=O)C2C1OC(O2)(C)C

STL525576
Synonyms:
Smiles: COc1ccccc1N1CCN(CC1)CC1C(=O)O[C@H]2[C@@H]1C[C@H]1C(=C)CCC[C@@]1(C2)C

STL525577
Synonyms: 1- ({[3- (4- fluorophenyl)- 2- methyl- 4- oxo- 4H- chromen- 7- yl]oxy}acetyl)- D- prolyl- N- (aminoacetyl)- D- leucinamide
Smiles: NCC(=O)NC(=O)[C@H](NC(=O)[C@H]1CCCN1C(=O)COc1ccc2c(c1)oc(c(c2=O)c1ccc(cc1)F)C)CC(C)C

STL525578
Synonyms: 8- (4- methylpiperazin- 1- yl)- 9- pentofuranosyl- 9H- purin- 6- amine
Smiles: OCC1OC(C(C1O)O)n1c(nc2c1ncnc2N)N1CCN(CC1)C

STL525579
Synonyms: dimethylN,O- bis(tert- butoxycarbonyl)- D- tyrosyl- L- alanylglycyl- L- aspartate
Smiles: COC(=O)C[C@@H](C(=O)OC)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](Cc1ccc(cc1)OC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C

STL525580
Synonyms: 9,10- dimethoxy- 6- (2- methylphenyl)- 6,6a- dihydroisoindolo[2,1- a]quinazoline- 5,11- dione
Smiles: COc1ccc2c(c1OC)C(=O)N1C2N(C(=O)c2c1cccc2)c1ccccc1C

STL525581
Synonyms: (5Z)- 1- methyl- 5- ({[2- (pyridin- 3- yl)piperidin- 1- yl]amino}methylidene)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CN1C(=O)NC(=O)/C(=C/NN2CCCCC2c2cccnc2)/C1=O

STL525582
Synonyms: (3S,10R,13R)- 10,13- dimethyl- 17- octyl- 2,3,4,7,8,9,10,11,12,13,14,15,16,17- tetradecahydro- 1H- cyclopenta[a]phenanthren- 3- yl2- chloroheptanoate(non- preferredname)
Smiles: CCCCCCCCC1CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CC[C@@H](C2)OC(=O)C(CCCCC)Cl

STL525583
Synonyms: (8xi,9xi,14xi,17xi)- 20- oxopregn- 5- en- 3- yl3- (morpholin- 4- yl)propanoate
Smiles: O=C(OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3CCC2C(=O)C)C)C1)C)CCN1CCOCC1

STL525584
Synonyms: (8xi,9xi,14xi,17xi,20xi)- 3- (acetyloxy)chol- 5- en- 24- oicacid
Smiles: OC(=O)CCC(C1CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CCC(C2)OC(=O)C)C

STL525585
Synonyms: (8xi,14xi,17xi,19E)- 3,5,14- trihydroxy- 19- [(2- hydroxyethyl)imino]card- 20(22)- enolide
Smiles: OCC/N=C/[C@@]12CCC(CC2(O)CCC2[C@@H]1CC[C@]1(C2(O)CCC1C1=CC(=O)OC1)C)O

STL525586
Synonyms: 3,4,6- tri- O- acetyl- 1,2- O- [(1S)- 1- cyanoethylidene]- alpha- D- glucopyranose
Smiles: N#C[C@]1(C)O[C@@H]2[C@H](O1)[C@@H](OC(=O)C)[C@@H]([C@H](O2)COC(=O)C)OC(=O)C

STL525587
Synonyms: 6,7- dimethoxy- 3- {[4- (propan- 2- yl)phenyl]amino}- 2- benzofuran- 1(3H)- one
Smiles: COc1ccc2c(c1OC)C(=O)OC2Nc1ccc(cc1)C(C)C

STL525588
Synonyms: 2- [(dimethylamino)methyl]- 4- methylidene- 1,5- diphenylpentane- 1,5- dione
Smiles: CN(CC(C(=O)c1ccccc1)CC(=C)C(=O)c1ccccc1)C

STL525589
Synonyms: 4- {[(4- methoxybenzyl)amino]methyl}- 2,2- dimethyltetrahydro- 2H- pyran- 4- ol
Smiles: COc1ccc(cc1)CNCC1(O)CCOC(C1)(C)C

STL525590
Synonyms: (1R,2S)- 2- [(2- hydroxyethyl)(methyl)amino]- 1- phenylpropan- 1- ol
Smiles: OCCN([C@H]([C@@H](c1ccccc1)O)C)C

STL525591
Synonyms: 6- methoxy- 2- (2,3,4,5- tetrahydro- 1,6- benzodioxocin- 8- yl)- 2,3- dihydro- 4H- chromen- 4- one
Smiles: COc1ccc2c(c1)C(=O)CC(O2)c1ccc2c(c1)OCCCCO2

STL525592
Synonyms: 8a- methyl- 1,2,6,7,8,8a- hexahydro- 5H- pyrimido[2,1- k]carbazol- 3(4H)- one
Smiles: O=C1CCN2C3(N1)CCCCC3(C)c1c2cccc1

STL525593
Synonyms: N- {(7S)- 10- [(6- aminohexyl)amino]- 1,2,3- trimethoxy- 9- oxo- 5,6,7,9- tetrahydrobenzo[a]heptalen- 7- yl}acetamide
Smiles: NCCCCCCNc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C

STL525594
Synonyms: 3- (4- methoxyphenyl)- 3- methylpyrrolidine- 2,5- dione
Smiles: COc1ccc(cc1)C1(C)CC(=O)NC1=O

STL525595
Synonyms: (1S)- 3- {2- methoxy- 5- [(1E)- 3- oxo- 3- phenylprop- 1- en- 1- yl]benzyl}- 1,2,3,4,5,6- hexahydro- 8H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 8- one
Smiles: COc1ccc(cc1CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)/C=C/C(=O)c1ccccc1

STL525596
Synonyms: 3- benzyl- 8- methyl- 2,3,3a,4,5,6- hexahydro- 1H- pyrazino[3,2,1- jk]carbazole
Smiles: Cc1ccc2c(c1)c1CCCC3c1n2CCN3Cc1ccccc1

STL525597
Synonyms: 10- chloro- 2,4- dimethyl- 4- phenyl- 5,6- dihydro- 4H- benzo[d]cyclohepta[1,2- b:3,4- b']difuran
Smiles: Clc1ccc2c(c1)c1c(o2)CCC(c2c1oc(c2)C)(C)c1ccccc1

STL525598
Synonyms: (8xi,9xi,14xi)- 17- hydroxy- 3,11,20- trioxopregn- 4- en- 21- ylpropanoate
Smiles: CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(=O)C1C2CCC2=CC(=O)CC[C@]12C

STL525599
Synonyms: (9xi,17xi,20xi)- 3- hydroxycholest- 8(14)- en- 15- one
Smiles: CC(CCCC(C1CC(=O)C2=C3C(CC[C@]12C)[C@@]1(C)CCC(CC1CC3)O)C)C

STL525600
Synonyms: [(3S,4S)- 4- acetyl- 1- benzyl- 5- methyl- 2- oxopyrrolidin- 3- yl]aceticacid
Smiles: OC(=O)C[C@H]1[C@H](C(=O)C)C(N(C1=O)Cc1ccccc1)C

STL525601
Synonyms: N- (4- {[(8xi,9xi,14xi)- 11,17- dihydroxy- 3,20- dioxopregn- 4- en- 21- yl]oxy}- 4- oxobutanoyl)tryptophan
Smiles: O=C(NC(C(=O)O)Cc1c[nH]c2c1cccc2)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)CC[C@]12C

STL525602
Synonyms: 1'- methyl- 2,3,4,9- tetrahydrospiro[beta- carboline- 1,4'- piperidine]- 3- carboxylicacid
Smiles: CN1CCC2(CC1)NC(Cc1c2[nH]c2c1cccc2)C(=O)O

STL525603
Synonyms: 4- oxo- 3- phenoxy- 4H- chromen- 7- ylN- [(2,2- dimethylpropanoyl)oxy]- D- isoleucinate
Smiles: CCC([C@H](C(=O)Oc1ccc2c(c1)occ(c2=O)Oc1ccccc1)NOC(=O)C(C)(C)C)C

STL525604
Synonyms: 1- [({[(3Z,8xi,9xi,14xi)- 17- hydroxy- 20- oxopregn- 4- en- 3- ylidene]amino}oxy)acetyl]proline
Smiles: O=C(N1CCCC1C(=O)O)CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C(=O)C)C)C

STL525605
Synonyms: methylN- (2- {[6- ethyl- 3- (4- methyl- 1,3- thiazol- 2- yl)- 4- oxo- 4H- chromen- 7- yl]oxy}propanoyl)- D- tryptophanate
Smiles: COC(=O)[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)C(Oc1cc2occ(c(=O)c2cc1CC)c1scc(n1)C)C

STL525606
Synonyms: (1S,5R)- 1,3,3- trimethyl- 6- (3- phenylprop- 2- yn- 1- yl)- 6- azabicyclo[3.2.1]octane
Smiles: CC1(C)C[C@H]2C[C@@](C1)(C)CN2CC#Cc1ccccc1

STL525607
Synonyms: 1,4- dihydroxy- 7- methoxy- 6- methyl- 5,8- dioxo- 3- [(2,3,4,6- tetra- O- acetyl- beta- L- glucopyranosyl)thio]- 5,8- dihydronaphthalen- 2- yl2,3,4,6- tetra- O- acetyl- 1- thio- beta- D- glucopyranoside
Smiles: COC1=C(C)C(=O)c2c(C1=O)c(O)c(c(c2O)S[C@H]1O[C@@H](COC(=O)C)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C)S[C@@H]1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C

STL525608
Synonyms: (6R,7R)- 7- amino- 3- {[(2- methyl- 5,6- dioxo- 1,2,5,6- tetrahydro- 1,2,4- triazin- 3- yl)sulfanyl]methyl}- 8- oxo- 5- thia- 1- azabicyclo[4.2.0]oct- 2- ene- 2- carboxylicacid
Smiles: O=C1[C@@H](N)[C@@H]2N1C(=C(CS2)CSc1nc(=O)c(=O)[nH]n1C)C(=O)O

STL525609
Synonyms: O- [(1R,9aR)- octahydro- 2H- quinolizin- 1- ylmethyl]ethylcarbamothioate
Smiles: CCNC(=S)OC[C@@H]1CCCN2[C@@H]1CCCC2

STL525610
Synonyms: 4- azidobutyl3,4,6- tri- O- acetyl- 2- (acetylamino)- 2- deoxy- beta- D- glucopyranoside
Smiles: [N-]=[N+]=NCCCCO[C@@H]1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1NC(=O)C)OC(=O)C)OC(=O)C

STL525611
Synonyms: 8,9- dimethoxy- 3- methyl- 3,5,6,10b,11,12- hexahydro- 1H- furo[3',4':5,6]pyrido[2,1- a]isoquinolin- 1- one
Smiles: COc1cc2c(cc1OC)CCN1C2CCC2=C1C(C)OC2=O

STL525612
Synonyms: 1- (4- ethylphenyl)- 5- {[(5R)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]methyl}- 5- [4- (propan- 2- yl)benzyl]pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCc1ccc(cc1)N1C(=O)NC(=O)C(C1=O)(CN1C[C@H]2CC(C1)c1n(C2)c(=O)ccc1)Cc1ccc(cc1)C(C)C

STL525613
Synonyms: (8aR)- 3- (hydroxymethyl)- 8a- methyl- 2- phenylhexahydro- 5H- [1,3]oxazolo[3,2- a]pyridin- 5- one
Smiles: OCC1C(O[C@]2(N1C(=O)CCC2)C)c1ccccc1

STL525614
Synonyms: 8- methyl- 3- (1- phenylethyl)- 3a,4,5,6- tetrahydro- 1H- pyrazino[3,2,1- jk]carbazol- 2(3H)- one
Smiles: Cc1ccc2c(c1)c1CCCC3c1n2CC(=O)N3C(c1ccccc1)C

STL525615
Synonyms: 4- methyl- 2- oxo- 2H- chromen- 7- ylD- leucinate
Smiles: CC(C[C@H](C(=O)Oc1ccc2c(c1)oc(=O)cc2C)N)C

STL525616
Synonyms: N- {(7S)- 1,2,3- trimethoxy- 10- [(2- methoxybenzyl)amino]- 9- oxo- 5,6,7,9- tetrahydrobenzo[a]heptalen- 7- yl}acetamide
Smiles: COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1[C@H](CC2)NC(=O)C)NCc1ccccc1OC

STL525617
Synonyms: (3E,8xi,9xi,14xi)- 3- {(2Z)- [(3Z,8xi,9xi,14xi)- 17- hydroxyandrostan- 3- ylidene]hydrazinylidene}androstan- 17- ol
Smiles: OC1CCC2[C@]1(C)CCC1C2CCC2[C@]1(C)CC/C(=N/N=C/1\CC[C@]3(C(C1)CCC1C3CC[C@]3(C1CCC3O)C)C)/C2

STL525618
Synonyms: (3'E)- 3'- benzylidene- 8- (cyclohex- 1- en- 1- yl)- 2- phenyl- 5,6,7,8- tetrahydro- 2'H,4H- spiro[chromene- 3,1'- cyclopentan]- 2'- one
Smiles: O=C1/C(=C/c2ccccc2)/CCC21CC1=C(OC2c2ccccc2)C(CCC1)C1=CCCCC1

STL525619
Synonyms: S- {3- [(3aS)- 8- methyl- 1,2,3a,4,5,6- hexahydro- 3H- pyrazino[3,2,1- jk]carbazol- 3- yl]- 3- oxopropyl}ethanethioate
Smiles: CC(=O)SCCC(=O)N1CCn2c3[C@@H]1CCCc3c1c2ccc(c1)C

STL525620
Synonyms: N- {(2S)- 1- oxo- 1- [(5S)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]- 3- phenylpropan- 2- yl}- 2- phenoxyacetamide
Smiles: O=C(N[C@H](C(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cc1ccccc1)COc1ccccc1

STL525621
Synonyms: (4aR,6aS,6bS,9aR)- 5- hydroxy- 4a,6a- dimethyl- 2- oxo- 8- propyl- 2,4a,4b,5,6,6a,9a,10,10a,10b,11,12- dodecahydro- 6bH- naphtho[2',1':4,5]indeno[1,2- d][1,3]dioxole- 6b- carboxylicacid
Smiles: CCCC1O[C@H]2[C@](O1)(C(=O)O)[C@@]1(C(C2)C2CCC3=CC(=O)C=C[C@@]3(C2C(C1)O)C)C

STL525622
Synonyms: 6- (4- ethylphenyl)- 10,11- dimethoxy- 7,7a- dihydro- 12H- isoindolo[2,1- a][1,5]benzodiazepin- 12- one
Smiles: CCc1ccc(cc1)C1=Nc2ccccc2N2C(C1)c1ccc(c(c1C2=O)OC)OC

STL525623
Synonyms: 5- (4,5- dimethoxy- 3- oxo- 1,3- dihydro- 2- benzofuran- 1- yl)- 6- hydroxy- 1- (4- methoxyphenyl)pyrimidine- 2,4(1H,3H)- dione
Smiles: COc1ccc(cc1)n1c(=O)[nH]c(=O)c(c1O)C1OC(=O)c2c1ccc(c2OC)OC

STL525624
Synonyms: 1- [4- (trifluoromethoxy)phenyl]- 2,3,4,9- tetrahydro- 1H- beta- carboline- 3- carboxylicacid
Smiles: OC(=O)C1NC(c2ccc(cc2)OC(F)(F)F)c2c(C1)c1ccccc1[nH]2

STL525625
Synonyms: (9aS)- 9,9- dimethyl- 9a- [(E)- 2- (thiophen- 2- yl)ethenyl]- 9,9a- dihydro- 1H- imidazo[1,2- a]indol- 2(3H)- one
Smiles: O=C1CN2[C@@](N1)(/C=C/c1cccs1)C(c1c2cccc1)(C)C

STL525626
Synonyms: 1- [(4aS,6aS,6bS,9aR,12aS)- 2- hydroxy- 4a,6a,8,8- tetramethylhexadecahydro- 6bH- naphtho[2',1':4,5]indeno[1,2- d][1,3]dioxol- 6b- yl]ethanone
Smiles: OC1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1C[C@@H]1[C@]2(OC(O1)(C)C)C(=O)C)C)C

STL525627
Synonyms: 1- (tert- butoxycarbonyl)- L- prolyl- L- arginine
Smiles: NC(=N)NCCC[C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C

STL525628
Synonyms: 4- (hexyloxy)phenyl6- deoxy- 6- iodohexopyranoside
Smiles: CCCCCCOc1ccc(cc1)OC1OC(CI)C(C(C1O)O)O

STL525629
Synonyms: methylN- {[(4- oxo- 3- phenoxy- 4H- chromen- 7- yl)oxy]acetyl}- D- tyrosinate
Smiles: COC(=O)[C@@H](Cc1ccc(cc1)O)NC(=O)COc1ccc2c(c1)occ(c2=O)Oc1ccccc1

STL525630
Synonyms: 4- [(1S,5S)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]butanenitrile
Smiles: N#CCCCN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

STL525631
Synonyms: 3- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 4- oxo- 2- (trifluoromethyl)- 4H- chromen- 7- ylD- alaninate
Smiles: O=C([C@H](N)C)Oc1ccc2c(c1)oc(c(c2=O)c1ccc2c(c1)OCCO2)C(F)(F)F

STL525632
Synonyms: (2R)- 1- (methylamino)- 2- phenylpropan- 2- ol
Smiles: CNC[C@@](c1ccccc1)(O)C

STL525633
Synonyms: (5xi,6alpha,8xi,9beta,17xi,24S)- 3- {[3,4- di- O- acetyl- 2- O- (2,3,4- tri- O- acetylpentopyranosyl)pentopyranosyl]oxy}- 25- hydroxy- 6- [(2,3,4- tri- O- acetylpentopyranosyl)oxy]- 20,24- epoxy- 9,19- cyclolanostan- 16- yl
Smiles: CC(=O)OC1COC(C(C1OC(=O)C)OC1OCC(C(C1OC(=O)C)OC(=O)C)OC(=O)C)OC1CC[C@]23C(C1(C)C)[C@@H](OC1OCC(C(C1OC(=O)C)OC(=O)C)OC(=O)C)CC1[C@@]3(C2)CC[C@]2([C@@]1(C)CC(C2[C@]1(C)CC[C@H](O1)C(O)(C)C)OC(=O)C)C

STL525634
Synonyms: (8xi,14xi,17xi)- 3,16- bis(acetyloxy)- 14- hydroxycard- 20(22)- enolide
Smiles: CC(=O)OC1CC2([C@](C1C1=CC(=O)OC1)(C)CC[C@H]1C2CCC2[C@]1(C)CCC(C2)OC(=O)C)O

STL525635
Synonyms: (8xi,9xi,14xi,16xi,17xi)- 26- (acetylamino)furosta- 5,20(22)- dien- 3- ylbutanoate
Smiles: CCCC(=O)OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3CC3C2C(=C(O3)CCC(CNC(=O)C)C)C)C)C1)C

STL525636
Synonyms: methylN- {[(4- oxo- 3- phenoxy- 4H- chromen- 7- yl)oxy]acetyl}- L- valinate
Smiles: COC(=O)[C@H](C(C)C)NC(=O)COc1ccc2c(c1)occ(c2=O)Oc1ccccc1

STL525637
Synonyms: (8xi,9xi,14xi,16alpha)- 17- hydroxy- 16- methyl- 20- oxopregn- 5- en- 3- yldihydrogenphosphate
Smiles: C[C@@H]1CC2[C@]([C@@]1(O)C(=O)C)(C)CCC1C2CC=C2[C@]1(C)CCC(C2)OP(=O)(O)O

STL525638
Synonyms: 4- oxo- 6- propyl- 3- (pyridin- 2- yl)- 4H- chromen- 7- ylN- (tert- butoxycarbonyl)- D- valinate
Smiles: CCCc1cc2c(cc1OC(=O)[C@@H](C(C)C)NC(=O)OC(C)(C)C)occ(c2=O)c1ccccn1

STL525639
Synonyms: (5S)- 3- {3- [(5E)- 4- oxo- 5- (thiophen- 2- ylmethylidene)- 2- thioxo- 1,3- thiazolidin- 3- yl]propanoyl}- 1,2,3,4,5,6- hexahydro- 8H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 8- one
Smiles: O=C(N1C[C@H]2CC(C1)c1n(C2)c(=O)ccc1)CCN1C(=S)S/C(=C/c2cccs2)/C1=O

STL525640
Synonyms: (8Z,8'Z)- 8,8'- bis[(abieta- 8,11,13- trien- 18- ylamino)methylidene]- 1,1',6,6'- tetrahydroxy- 3,3'- dimethyl- 5,5'- di(propan- 2- yl)- 2,2'- binaphthalene- 7,7'(8H,8'H)- dione
Smiles: CC(C1=C(O)C(=O)/C(=C\NCC2(C)CCCC3(C2CCc2c3ccc(c2)C(C)C)C)/c2c1cc(C)c(c2O)c1c(C)cc2c(c1O)/C(=C/NCC1(C)CCCC3(C1CCc1c3ccc(c1)C(C)C)C)/C(=O)C(=C2C(C)C)O)C

STL525641
Synonyms: (6alpha,8xi,9xi,14xi)- 11,17- dihydroxy- 6- methyl- 3,20- dioxopregn- 4- en- 21- ylacetate
Smiles: CC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2C[C@@H](C2=CC(=O)CC[C@]12C)C

STL525642
Synonyms: ethyl(13bS)- 13b- (acetyloxy)- 13- amino- 11- methoxy- 6- methyl- 13bH- diindeno[1,2- b:1',2',3'- de][1,6]naphthyridine- 7- carboxylate
Smiles: CCOC(=O)c1c(C)nc2c3c1N=C1c4ccc(cc4C(=C1[C@]3(OC(=O)C)c1c2cccc1)N)OC

STL525643
Synonyms: (3S,10R,13R)- 10,13- dimethyl- 17- octyl- 2,3,4,7,8,9,10,11,12,13,14,15,16,17- tetradecahydro- 1H- cyclopenta[a]phenanthren- 3- yl3- chloropropanoate(non- preferredname)
Smiles: CCCCCCCCC1CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CC[C@@H](C2)OC(=O)CCCl

STL525644
Synonyms: N- [2- (3,4- dimethoxyphenyl)ethyl]- 4- oxo- 4- [(1S,5R)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]butanamide
Smiles: COc1ccc(cc1OC)CCNC(=O)CCC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

STL525645
Synonyms: 5- (1H- indol- 3- yl)- 4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinoline
Smiles: COc1c2c(CCN(C2c2c[nH]c3c2cccc3)C)cc2c1OCO2

STL525646
Synonyms: (4R)- 10- bromo- 4- (2- methoxyphenyl)- 2,4- dimethyl- 5,6- dihydro- 4H- benzo[d]cyclohepta[1,2- b:3,4- b']difuran
Smiles: COc1ccccc1[C@@]1(C)CCc2c(c3c1cc(o3)C)c1c(o2)ccc(c1)Br

STL525647
Synonyms: ({[(3Z,8xi,9xi,14xi)- 17- hydroxyandrost- 4- en- 3- ylidene]amino}oxy)aceticacid
Smiles: OC(=O)CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2O)C)C

STL525648
Synonyms: 4- (2,4- dimethoxyphenyl)butan- 2- amine
Smiles: COc1cc(OC)ccc1CCC(N)C

STL525649
Synonyms: methyl(2Z,5xi,9xi,13xi,17xi,18xi)- 2- (2,3- dimethoxybenzylidene)- 3- oxolup- 20(29)- en- 28- oate
Smiles: COC(=O)C12CC[C@H](C2C2[C@](CC1)(C)[C@]1(C)CCC3[C@](C1CC2)(C)C/C(=C/c1cccc(c1OC)OC)/C(=O)C3(C)C)C(=C)C

STL525650
Synonyms: N- [(7R)- 10- {[3- (1H- imidazol- 1- yl)propyl]amino}- 1,2,3- trimethoxy- 9- oxo- 5,6,7,9- tetrahydrobenzo[a]heptalen- 7- yl]acetamide
Smiles: COc1c2c(CC[C@H](c3c2ccc(c(=O)c3)NCCCn2cncc2)NC(=O)C)cc(c1OC)OC

STL525651
Synonyms: 6- methyl- 2- (2,3,4,5- tetrahydro- 1,6- benzodioxocin- 8- yl)- 2,3- dihydro- 4H- chromen- 4- one
Smiles: Cc1ccc2c(c1)C(=O)CC(O2)c1ccc2c(c1)OCCCCO2

STL525652
Synonyms: 3- (4- hydroxyphenyl)butanoicacid
Smiles: OC(=O)CC(c1ccc(cc1)O)C

STL525653
Synonyms: (6alpha,8xi,14xi)- 17- hydroxy- 6- methyl- 3,20- dioxopregna- 4,9(11)- dien- 21- ylacetate
Smiles: CC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC=C1C2C[C@@H](C2=CC(=O)CC[C@]12C)C

STL525654
Synonyms: 5- (1,3- benzodioxol- 5- ylmethyl)- 5- {[(1R,5R)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]methyl}- 1- (prop- 2- en- 1- yl)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: C=CCN1C(=O)NC(=O)C(C1=O)(CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cc1ccc2c(c1)OCO2

STL525655
Synonyms: 2- (6- chloro- 4H- 1,3- benzodioxin- 8- yl)- 7- methyl- 2,3- dihydro- 4H- chromen- 4- one
Smiles: Clc1cc(C2CC(=O)c3c(O2)cc(cc3)C)c2c(c1)COCO2

STL525656
Synonyms: (5xi,9xi,13xi,17xi,18xi,19xi)- lup- 20(29)- ene- 3,28- diyl(2E,2'E)bis(3- phenylprop- 2- enoate)
Smiles: O=C(OCC12CCC(C2C2[C@](CC1)(C)[C@]1(C)CCC3[C@](C1CC2)(C)CCC(C3(C)C)OC(=O)/C=C/c1ccccc1)C(=C)C)/C=C/c1ccccc1

STL525657
Synonyms: 3- (2- methyl- 1,3- thiazol- 4- yl)- 4- oxo- 4H- chromen- 7- ylN- (tert- butoxycarbonyl)- D- isoleucinate
Smiles: CCC([C@H](C(=O)Oc1ccc2c(c1)occ(c2=O)c1csc(n1)C)NC(=O)OC(C)(C)C)C

STL525658
Synonyms: 5- phenyl- 1,3,4,5- tetrahydroisoindolo[2,1- a]quinolin- 11(2H)- one
Smiles: O=C1N2C3=C(CCCC3)C(C=C2c2c1cccc2)c1ccccc1

STL525659
Synonyms: 1- (2,4- dichlorophenyl)- 2,3,4,9- tetrahydro- 1H- beta- carboline
Smiles: Clc1ccc(c(c1)Cl)C1NCCc2c1[nH]c1c2cccc1

STL525660
Synonyms: 4- bromophenyl2,3,4,6- tetra- O- acetyl- beta- D- glucopyranoside
Smiles: CC(=O)OC[C@H]1O[C@@H](Oc2ccc(cc2)Br)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C

STL525661
Synonyms: methyl1- (2- bromophenyl)- 2,3,4,9- tetrahydro- 1H- beta- carboline- 3- carboxylate
Smiles: COC(=O)C1NC(c2ccccc2Br)c2c(C1)c1ccccc1[nH]2

STL525662
Synonyms: (5R)- 3- {3- [(5E)- 5- (2- methoxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]propanoyl}- 1,2,3,4,5,6- hexahydro- 8H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 8- one
Smiles: COc1ccccc1/C=C\1/SC(=S)N(C1=O)CCC(=O)N1C[C@H]2CC(C1)c1n(C2)c(=O)ccc1

STL525663
Synonyms: 2- [(4aR,5aS,9R,9aS,11bR)- 9- hydroxy- 9a,11b- dimethyltetradecahydrospiro[cyclopenta[1,2]phenanthro[8a,9- b]oxirene- 3,2'- [1,3]dioxolan]- 9- yl]- 2- oxoethylacetate
Smiles: CC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CCC1C2C[C@H]2[C@@]3([C@]1(C)CCC1(C3)OCCO1)O2

STL525664
Synonyms: 2- {[(1- {4- (benzyloxy)- 2- [(tert- butoxycarbonyl)amino]- 4- oxobutanoyl}pyrrolidin- 2- yl)carbonyl]amino}- 5- carbamimidamidopentanoicacid(non- preferredname)
Smiles: O=C(CC(C(=O)N1CCCC1C(=O)NC(C(=O)O)CCCNC(=N)N)NC(=O)OC(C)(C)C)OCc1ccccc1

STL525665
Synonyms: (5alpha,8xi,9xi,14xi,17Z)- 17- (hydroxyimino)androstan- 3- ylacetate
Smiles: O/N=C\1/CCC2[C@]1(C)CCC1C2CC[C@@H]2[C@]1(C)CCC(C2)OC(=O)C

STL525666
Synonyms: (7S)- 1,2,3- trimethoxy- 7- (methylamino)- 10- [(3,4,5- trimethoxybenzyl)amino]- 6,7- dihydrobenzo[a]heptalen- 9(5H)- one
Smiles: CN[C@H]1CCc2c(c3c1cc(=O)c(cc3)NCc1cc(OC)c(c(c1)OC)OC)c(OC)c(c(c2)OC)OC

STL525667
Synonyms: (4R,5E,11aS)- 4- hydroxy- 6,10- dimethyl- 3- (piperidin- 1- ylmethyl)- 3a,4,7,8,11,11a- hexahydrocyclodeca[b]furan- 2(3H)- one
Smiles: CC1=CCCC(=C[C@H](C2[C@H](C1)OC(=O)C2CN1CCCCC1)O)C

STL525668
Synonyms: (8xi,9xi,14xi,16xi,17xi,22alpha)- spirosola- 3,5- diene
Smiles: CC1CC[C@@]2(NC1)OC1C([C@@H]2C)[C@@]2(C(C1)C1CC=C3[C@](C1CC2)(C)CCC=C3)C

STL525669
Synonyms: (8xi,9xi,14xi,17beta)- 17- ethyl- 3- methoxyestra- 1(10),2,4- trien- 17- ol
Smiles: CC[C@]1(O)CCC2[C@]1(C)CCC1C2CCc2c1ccc(c2)OC

STL525670
Synonyms: (2R,3S,4R,5R,2'R,3'S,4'R,5'R)- N,N'- [({4- [(3R,10S,12S,13R,17R)- 3,12- dihydroxy- 10,13- dimethylhexadecahydro- 1H- cyclopenta[a]phenanthren- 17- yl]pentanoyl}imino)dipropane- 3,1- diyl]bis(2,3,4,5,6- pentahydroxy
Smiles: OC[C@H]([C@H]([C@@H]([C@H](C(=O)NCCCN(C(=O)CC[C@H]([C@H]1CCC2[C@]1(C)[C@@H](O)CC1C2CCC2[C@]1(C)CC[C@H](C2)O)C)CCCNC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O)O)O)O

STL525671
Synonyms: N- (4- methyl- 2- nitrophenyl)- D- ribofuranosylamine
Smiles: OC[C@H]1OC([C@@H]([C@@H]1O)O)Nc1ccc(cc1[N+](=O)[O-])C

STL525672
Synonyms: 6- (benzyloxy)- 1- {3- [(4- bromophenoxy)methyl]- 4- methoxyphenyl}- 2,3,4,9- tetrahydro- 1H- beta- carboline
Smiles: COc1ccc(cc1COc1ccc(cc1)Br)C1NCCc2c1[nH]c1c2cc(cc1)OCc1ccccc1

STL525673
Synonyms: ethyl9- oxo- 1,2,3,9- tetrahydropyrrolo[2,1- b]quinazoline- 1- carboxylate
Smiles: CCOC(=O)C1CCc2n1c(=O)c1c(n2)cccc1

STL525674
Synonyms: 1- deoxy- 1- [(3,4- dimethylphenyl)(nitroso)amino]pentitol
Smiles: OCC(C(C(CN(c1ccc(c(c1)C)C)N=O)O)O)O