Microstates

Showing 1501 through 1600 of 6099
Rank Microstate SMILES ΔG / kcal M-1
1501 EN300-370967_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCCN5CCOC5=O −7.8 ± 0.3
1502 EN300-263346_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5c(=O)n6c(n5)CCCC6 −7.8 ± 0.3
1503 EN300-6498856_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC[C@@H]5C(=O)NC(=O)N5 −7.8 ± 0.2
1504 EN300-6482296_3_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CO[C@@H]6[C@@H]5COC6 −7.8 ± 0.3
1505 EN300-06030_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5ccc(cc5)n6cnnn6 −7.8 ± 0.2
1506 EN300-7463176_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)c5cnn6c5c(=O)[nH]cc6 −7.8 ± 0.2
1507 EN300-104088_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC(CC5)OCCO −7.8 ± 0.3
1508 EN300-44873_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CC[N@@]5CCCS5(=O)=O −7.8 ± 0.4
1509 EN300-02623_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)Nc5nc([nH]n5)CCCO −7.8 ± 0.2
1510 EN300-183001_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCCC#N −7.8 ± 0.2
1511 EN300-79180_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H](C5CCOCC5)O −7.8 ± 0.3
1512 EN300-214800_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCCN5CCNC5=O −7.8 ± 0.3
1513 EN300-861925_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCO[C@H](CO)F −7.8 ± 0.2
1514 EN300-12440_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CC(=O)N(C5)C6CC6 −7.8 ± 0.2
1515 EN300-7121836_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)c5cn[nH]c5F −7.8 ± 0.2
1516 EN300-298031_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC6CC5(C6)CO −7.8 ± 0.2
1517 EN300-112500_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N(CC(=O)N)C5CC5 −7.8 ± 0.3
1518 EN300-7456499_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCCS(=O)(=O)CCCO −7.8 ± 0.4
1519 EN300-183231_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCCc5n[n-]nn5 −7.8 ± 0.3
1520 EN300-1932780_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H](C(F)F)O −7.8 ± 0.3
1521 DAR-DIA-23e5a6a0-8_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4C[C@@H]5CC6([NH2+]5)COC6)Cl −7.8 ± 0.3
1522 EN300-233678_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC[C@H]([C@H](C5)CO)O −7.8 ± 0.4
1523 EN300-1605566_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CN6CC[NH+]5CC6 −7.8 ± 0.3
1524 EN300-244100_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5Cc6cncn6C5 −7.8 ± 0.2
1525 ADA-UCB-dc2b944c-16_1 molecule CC1(C[C@H](c2cc(ccc2O1)Cl)C(=O)Nc3cncc4c3cccc4)C −7.77 ± 0.10
1526 EN300-1608590_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCc5nc(on5)N6CCOCC6 −7.8 ± 0.3
1527 EN300-101505_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CC(=O)N5 −7.8 ± 0.2
1528 DAR-DIA-23e5a6a0-2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4O[C@@H]5CC6([NH2+]5)CCC6)Cl −7.8 ± 0.3
1529 EN300-141628_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccnc(c5)S(=O)(=O)N −7.8 ± 0.3
1530 EN300-1590388_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)Cn5cc(cn5)C#N −7.8 ± 0.3
1531 EN300-7457160_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC5=NO[C@@H](C5)CC6(COC6)O −7.8 ± 0.4
1532 EN300-1277662_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC[C@@H]5C[C@@H]5CO −7.8 ± 0.2
1533 EN300-6478054_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCOC[C@H](C5)CO −7.8 ± 0.3
1534 EN300-682529_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC[C@@]5(CCOC5)CO −7.8 ± 0.3
1535 EN300-105693_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5(COC5)CO −7.8 ± 0.2
1536 EN300-11300_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCc5cc(=O)[nH]c(=O)[nH]5 −7.8 ± 0.2
1537 EN300-136080_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC(C5)n6cc(nn6)C(=O)N −7.8 ± 0.2
1538 EN300-07268_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccc6c(c5)[nH]c(=O)c(=O)[nH]6 −7.8 ± 0.3
1539 DAR-DIA-23e5a6a0-3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4O[C@H]5CC6([NH2+]5)COC6)Cl −7.8 ± 0.3
1540 EN300-253187_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC[C@@H]5COCO5 −7.8 ± 0.2
1541 EN300-6499531_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCCCCS5(=O)=O −7.8 ± 0.3
1542 EN300-14437_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CCS(=O)(=O)C5 −7.8 ± 0.3
1543 EN300-1706036_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@@H]5C(=O)NCCO5 −7.8 ± 0.3
1544 EN300-69107_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCC(=O)NCC5 −7.8 ± 0.3
1545 EN300-69107_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCC(=O)NCC5 −7.8 ± 0.3
1546 EN300-128715_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CC(=O)NCC(F)(F)F −7.8 ± 0.3
1547 EN300-59487_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CC(=O)NC5 −7.8 ± 0.2
1548 EN300-311920_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@]5(CCS(=O)(=O)C5)F −7.8 ± 0.2
1549 EN300-316216_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CCCn5cncn5 −7.8 ± 0.3
1550 EN300-316216_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CCCn5cncn5 −7.8 ± 0.3
1551 EN300-1587757_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCCNS5(=O)=O −7.8 ± 0.2
1552 EN300-101443_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C5(COC5)O −7.8 ± 0.2
1553 EN300-42269_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cnns5 −7.8 ± 0.3
1554 EN300-6504325_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCCCNS(=O)(=O)N −7.7 ± 0.6
1555 EN300-370753_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CC[C@H](C5)C(=O)N −7.7 ± 0.3
1556 EN300-1270299_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccc(cn5)CO −7.7 ± 0.2
1557 EN300-135393_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@H](C5)NC(=O)NC6CC6 −7.7 ± 0.3
1558 EN300-269627_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@](C5)(Cn6ccnn6)O −7.7 ± 0.3
1559 EN300-107435_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCCCS5(=O)=O −7.7 ± 0.2
1560 EN300-313410_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc(ncn5)N6CCOCC6 −7.7 ± 0.2
1561 EN300-203118_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@](C5)(CO)F −7.7 ± 0.2
1562 EN300-861925_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)O[C@@H](CO)F −7.7 ± 0.2
1563 EN300-1722713_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC6(C5)CC(=O)NC6 −7.7 ± 0.2
1564 EN300-1662365_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CCc6ncnn6C5 −7.7 ± 0.3
1565 EN300-109535_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C[C@@H]5CC(=O)OC5 −7.7 ± 0.2
1566 EN300-221122_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@](C5)(c6cn[nH]n6)O −7.7 ± 0.3
1567 EN300-1253178_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)NC5CC5 −7.7 ± 0.2
1568 EN300-1253178_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)NC5CC5 −7.7 ± 0.2
1569 EN300-145616_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCc5cnc[nH]5 −7.7 ± 0.2
1570 EN300-1588907_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5[C@H]6CCO[C@H]6C[C@H]5CO −7.7 ± 0.3
1571 EN300-217107_3_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CC[C@@H]5C(=O)N −7.7 ± 0.3
1572 EN300-658355_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC6(C5)CCNC(=O)O6 −7.7 ± 0.2
1573 EN300-36111_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CN5CCCCC5=O −7.7 ± 0.3
1574 EN300-124301_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CCCn5ccnn5 −7.7 ± 0.3
1575 EN300-305294_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@@H]6C[C@@H]([C@@H]6C5)O −7.7 ± 0.2
1576 EN300-26147_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CCn5cncn5 −7.7 ± 0.3
1577 EN300-2011083_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CCC(=O)OCC5 −7.7 ± 0.3
1578 EN300-61636_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5(CC5)C(=O)NC6CC6 −7.7 ± 0.3
1579 EN300-98143_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)c5c(cn[nH]5)F −7.7 ± 0.2
1580 EN300-365993_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@H]6CS(=O)(=O)C[C@H]6C5 −7.7 ± 0.2
1581 EN300-142412_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCCCC(=O)N −7.7 ± 0.3
1582 EN300-1644723_3_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5[C@H]6[C@@H]5COCC6 −7.7 ± 0.2
1583 EN300-143449_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CCCN(=O)=O −7.7 ± 0.3
1584 EN300-04614_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5ccc(=O)[nH]n5 −7.7 ± 0.2
1585 EN300-103722_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)c5cnn6c5OCCC6 −7.7 ± 0.3
1586 EN300-259060_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@@](C5)(CC(=O)N)O −7.7 ± 0.3
1587 EN300-80522_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)COC[C@@H]5CCOC5 −7.7 ± 0.2
1588 EN300-06654_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)Cn5cncn5 −7.7 ± 0.2
1589 EN300-06654_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)Cn5cncn5 −7.7 ± 0.2
1590 EN300-221518_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCCO −7.7 ± 0.2
1591 EN300-221518_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCCO −7.7 ± 0.2
1592 EN300-221518_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCCO −7.7 ± 0.2
1593 EN300-6494859_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5C[C@H](OC5)Cn6cccn6 −7.7 ± 0.3
1594 EN300-249804_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CCOC(=O)N5 −7.7 ± 0.2
1595 EN300-365106_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC(C5)C(=O)N −7.7 ± 0.2
1596 EN300-249764_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H](C5CCC5)O −7.7 ± 0.2
1597 EN300-24297_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)c5csnn5 −7.7 ± 0.2
1598 EN300-7435482_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@@H](C6(C5)CCOCC6)O −7.7 ± 0.3
1599 EN300-7353672_1_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@H]([C@@H](CC5)O)CO −7.7 ± 0.3
1600 EN300-59487_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CC(=O)NC5 −7.7 ± 0.2
Last updated 2020-12-08T20:22:29.488528+00:00
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