Microstates

Showing 1401 through 1500 of 11295
Rank Microstate SMILES ΔG / kcal M-1
1401 EN300-59487_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CC(=O)NC5 −11.1 ± 0.3
1402 EN300-220194_3_1 molecule C[C@@H]([C@@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O)OC −11.1 ± 0.3
1403 EN300-61140_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCc5nc(no5)c6[nH]cnn6 −11.1 ± 0.3
1404 EN300-154156_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC(=O)NC5 −11.1 ± 0.3
1405 EN300-4698402_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5C[C@H]5F −11.1 ± 0.2
1406 EN300-155176_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@@H]5CCCS5(=O)=O −11.1 ± 0.3
1407 EN300-19700_3_1 molecule COC(=O)COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.1 ± 0.2
1408 EN300-19700_3_1 molecule COC(=O)COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.1 ± 0.2
1409 EN300-19700_3_1 molecule COC(=O)COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.1 ± 0.2
1410 EN300-6480588_3_1 molecule COc1ccnc(n1)CC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.1 ± 0.3
1411 EN300-100180_2_2 molecule CC(=O)N1CC[C@H](C1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.1 ± 0.3
1412 EN300-25960_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C5(CCCC5)O −11.1 ± 0.5
1413 EN300-42819_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CCC(=O)NC5 −11.1 ± 0.3
1414 EN300-261210_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@]5(CCOC5)C#N −11.1 ± 0.4
1415 EN300-1644723_4_6 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@H]5[C@@H]6[C@H]5COCC6 −11.1 ± 0.3
1416 EN300-18610_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@H](C5)C(=O)N −11.1 ± 0.3
1417 EN300-649738_3_1 molecule Cc1c(n(nn1)C)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.1 ± 0.3
1418 EN300-6478631_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCCc6n5cnn6 −11.1 ± 0.2
1419 EN300-1588617_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@@H]5C[C@@H]5C#N −11.1 ± 0.3
1420 EN300-92605_1_1 molecule Cn1cc(cn1)C2=NO[C@@H](C2)C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −11.1 ± 0.3
1421 EN300-31148_1_2 molecule CCC(=O)N[C@H](C)C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.1 ± 0.3
1422 EN300-1722072_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@@H]6C[C@H]5[C@H]([C@H]6O)O −11.1 ± 0.3
1423 EN300-191495_3_1 molecule CS(=O)(=O)C1(CC1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.1 ± 0.4
1424 EDJ-MED-28ec730d-2_1 molecule COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.1 ± 0.2
1425 EN300-6504697_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@@H]5CC6(CC6)S(=O)(=O)N5 −11.1 ± 0.3
1426 EN300-1911992_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC[C@H]([C@@H]5CCOC5)O −11.1 ± 0.4
1427 EN300-260696_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5C[C@@H]([C@@H]5n6cccn6)O −11.1 ± 0.4
1428 EN300-261365_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5CS(=O)(=O)C5 −11.1 ± 0.2
1429 EN300-122656_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@]5(CCSC5)O −11.1 ± 0.4
1430 EN300-6238494_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)[C@@H]5COCCO5 −11.1 ± 0.3
1431 EN300-138787_1_1 molecule COC(=O)C1(CC1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.1 ± 0.2
1432 EN300-1440321_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5(CCC5)S(=O)(=O)N −11.1 ± 0.5
1433 EN300-366468_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCCNC(=O)C5 −11.1 ± 0.3
1434 DAR-DIA-5ff57136-1_1 molecule C[C@@H]1COc2ccc(cc2[C@@H]1C(=O)N(c3cncc4c3cccc4)C(=O)C=C)Cl −11.1 ± 0.3
1435 EN300-746187_1_2 molecule Cc1nc2n(n1)C[C@H](CC2)C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −11.1 ± 0.3
1436 DAR-DIA-6a508060-9_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC5CCCCC5 −11.1 ± 0.3
1437 EN300-82616_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCCNC5=O −11.1 ± 0.2
1438 EN300-1664603_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CCc5ccn[nH]5 −11.1 ± 0.3
1439 EN300-260816_2_1 molecule CN1CC[C@@H](C1=O)COC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.1 ± 0.3
1440 EN300-171766_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCc5n[nH]c(=O)s5 −11.1 ± 0.2
1441 EN300-51961_1_1 molecule CC[C@@H](C)C(=O)NCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.1 ± 0.3
1442 EN300-1452069_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H](CC5CCOCC5)O −11.1 ± 0.3
1443 EN300-28871_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCn5ccnn5 −11.1 ± 0.2
1444 EN300-28871_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCn5ccnn5 −11.1 ± 0.2
1445 EN300-25702_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C5(CC5)O −11.1 ± 0.2
1446 EN300-217494_3_2 molecule C[C@]([C@@H]1CCOC1)(C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −11.1 ± 0.6
1447 EN300-1696962_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCCn5cnnn5 −11.1 ± 0.2
1448 EN300-66849_1_1 molecule COCCN(CCO)C(=O)C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.0 ± 0.5
1449 EN300-13890_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CS[C@H]5CCS(=O)(=O)C5 −11.0 ± 0.3
1450 EN300-1212400_1_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@@H](C[C@H]5CO)CO −11.0 ± 0.4
1451 EN300-203293_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC[C@@H]5CNC(=O)O5 −11.0 ± 0.2
1452 EN300-259004_3_1 molecule CC(=O)N1CC(C1)OCC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.0 ± 0.4
1453 EN300-265285_2_2 molecule C[C@H]1Cn2c(cc(n2)C(=O)NC[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6)C(=O)N1 −11.0 ± 0.3
1454 EN300-206592_3_1 molecule CCC[C@@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)S(=O)(=O)N −11.0 ± 0.3
1455 EN300-109535_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C[C@H]5CC(=O)OC5 −11.0 ± 0.3
1456 DAR-DIA-0d514e7d-4_1 molecule C[C@H]1COc2c(cc(cc2OC3CCCC3)Cl)[C@@H]1C(=O)Nc4cncc5c4cccc5 −11.0 ± 0.2
1457 EN300-259849_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CN5CCCC[C@@H](C5=O)O −11.0 ± 0.4
1458 EN300-66082_1_2 molecule C[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)C5CCC5 −11.0 ± 0.3
1459 EN300-1425677_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@]5(CCCO5)CO −11.0 ± 0.3
1460 EN300-188377_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccnc6c5[nH]nn6 −11.0 ± 0.2
1461 EN300-207959_3_2 molecule C[C@]1(CCNC1=O)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.0 ± 0.3
1462 EN300-175186_4_2 molecule C[C@H](CO)OCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.0 ± 0.3
1463 EN300-270710_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCS(=O)(=O)N −11.0 ± 0.2
1464 EN300-217107_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CC[C@@H]5C(=O)N −11.0 ± 0.3
1465 EN300-117414_1_2 molecule C[C@H](CO)N(C)C(=O)C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.0 ± 0.3
1466 EN300-6277108_3_2 molecule CO[C@H]([C@@H]1CCCO1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.0 ± 0.4
1467 EN300-219020_3_1 molecule Cn1ncc(n1)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.0 ± 0.3
1468 EN300-219020_3_1 molecule Cn1ncc(n1)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.0 ± 0.3
1469 EN300-173562_1_3 molecule C[C@@H]1C[C@H](CN1C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −11.0 ± 0.3
1470 EN300-173562_1_3 molecule C[C@@H]1C[C@H](CN1C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −11.0 ± 0.3
1471 EN300-7354033_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C56CC(C5)S(=O)(=O)C6 −11.0 ± 0.3
1472 EN300-157776_1_4 molecule C[C@H]1CN(C[C@H](O1)CO)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.0 ± 0.4
1473 EN300-181558_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CC5(CCC(CC5)O)O −11.0 ± 0.2
1474 MAK-UNK-83e0a0b4-4_1 molecule CCCCc1ccc2c(c1)[C@@H](CCO2)C(=O)N(CCNC3CNC3)c4cncc5c4cccc5 −11.0 ± 0.5
1475 EN300-90142_1_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCC[C@H](C5)C(=O)N −11.0 ± 0.3
1476 EN300-82553_1_1 molecule COc1ccc(nn1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.0 ± 0.2
1477 EN300-100741_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5[nH]cnn5 −11.0 ± 0.2
1478 EN300-76841_1_1 molecule C[C@@](COC)(C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −11.0 ± 0.3
1479 EN300-135530_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cccnc5C(=O)N −11.0 ± 0.2
1480 EN300-93573_3_1 molecule CN(C)C(=O)CC(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.0 ± 0.3
1481 EN300-22880_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)N5CCC[C@H](C5)C(=O)N −11.0 ± 0.4
1482 EN300-41366_1_1 molecule Cc1nc(n(n1)CCC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C −11.0 ± 0.3
1483 EN300-6479181_3_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CC[C@H]6N5C(=O)CC6 −11.0 ± 0.3
1484 EN300-321703_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCOC5COC5 −11.0 ± 0.2
1485 EN300-6746890_2_1 molecule c1cc2c(c(cnc2)NC(=O)[C@]3(c4c(ccc(c4)Cl)OCC3)CNC(=O)[C@H]5C[C@@](C5)(F)CO)cc1 −11.0 ± 0.2
1486 EN300-331828_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CO[C@@H]5COC[C@H]5O −11.0 ± 0.3
1487 EN300-657211_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cc5[nH]c(nn5)C6CC6 −11.0 ± 0.3
1488 EN300-198633_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@H]5CCCCNC5=O −11.0 ± 0.3
1489 EN300-6736413_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCO[C@@H]5CCNC5=O −11.0 ± 0.3
1490 EN300-6736413_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCO[C@@H]5CCNC5=O −11.0 ± 0.3
1491 EN300-265285_1_2 molecule C[C@H]1Cn2c(cc(n2)C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6)C(=O)N1 −11.0 ± 0.3
1492 EN300-6731226_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@]56CCO[C@H]5CC(=O)NC6 −11.0 ± 0.4
1493 EN300-226964_3_1 molecule Cc1ccn(n1)CC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.0 ± 0.4
1494 EN300-70064_1_1 molecule CNC(=O)C1(CCC1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.0 ± 0.3
1495 EN300-155362_3_1 molecule C[C@@H]1CC(=O)N[C@@H]1C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.0 ± 0.3
1496 EN300-90225_1_1 molecule Cn1nc(nn1)CO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.0 ± 0.2
1497 EN300-101505_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CC(=O)N5 −11.0 ± 0.3
1498 EN300-85760_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCO5 −11.0 ± 0.2
1499 EN300-23318_3_2 molecule C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)OCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.0 ± 0.3
1500 EN300-364679_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCCn5cnnn5 −11.0 ± 0.3
Last updated 2021-02-11T07:27:27.453800+00:00
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