Microstates

Showing 1601 through 1700 of 11295
Rank Microstate SMILES ΔG / kcal M-1
1601 EN300-13343_1_1 molecule Cc1c(c(n2c(n1)ncn2)C)CC(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −11.0 ± 0.4
1602 EN300-59478_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCCC(=O)N −11.0 ± 0.3
1603 DAR-DIA-5ff57136-16_2 molecule C[C@H](C#C)N(c1cncc2c1cccc2)C(=O)[C@@H]3CCOc4c3cc(cc4)Cl −11.0 ± 0.1
1604 EN300-244403_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]5CNC(=O)O5 −11.0 ± 0.2
1605 EN300-658559_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5(CC5)n6ccnn6 −11.0 ± 0.3
1606 EN300-131572_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cnn6c5cncc6 −11.0 ± 0.3
1607 EN300-55072_2_1 molecule C[C@@H](CO)C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.0 ± 0.3
1608 EN300-18074_4_1 molecule CC(=O)NCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.0 ± 0.2
1609 EN300-220536_3_1 molecule CS(=O)(=O)C1(CCOCC1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.0 ± 0.4
1610 EN300-102901_3_1 molecule CCC[C@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)N −11.0 ± 0.3
1611 EN300-207873_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CC5(CC5)O −11.0 ± 0.3
1612 EN300-6792206_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H](C5CCOCC5)O −11.0 ± 0.3
1613 EN300-214800_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCCN5CCNC5=O −11.0 ± 0.3
1614 EN300-7444950_1_1 molecule COc1cc(ncn1)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.0 ± 0.3
1615 EN300-101443_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C5(COC5)O −11.0 ± 0.3
1616 EN300-47657_1_2 molecule C[C@H](C(=O)N(C)C)NC(=O)CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.0 ± 0.3
1617 EN300-6743433_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5ccn6c(c5)cnn6 −10.9 ± 0.3
1618 EN300-159633_2_1 molecule C[C@@](C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)(C(F)(F)F)O −10.9 ± 0.3
1619 EN300-2010317_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@H]6C[C@@H]5[C@@H](C6)O −10.9 ± 0.3
1620 EN300-214800_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCCN5CCNC5=O −10.9 ± 0.3
1621 EN300-263669_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@]56C[C@H]5COC6 −10.9 ± 0.2
1622 EN300-270710_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCCS(=O)(=O)N −10.9 ± 0.3
1623 EN300-120586_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)NCC(F)F −10.9 ± 0.3
1624 EN300-75875_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccnnc5 −10.9 ± 0.2
1625 EN300-172640_3_2 molecule C[C@H]1[C@@H](NC(=O)O1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.9 ± 0.3
1626 EN300-254840_1_1 molecule C[C@@H]([C@@H]1CN(CCO1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −10.9 ± 0.3
1627 EN300-53677_1_1 molecule CS(=O)(=O)CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.9 ± 0.2
1628 EN300-185727_1_1 molecule Cn1c2c(nn1)C[C@@H](CC2)C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −10.9 ± 0.3
1629 EN300-127156_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc(no5)C(=O)N −10.9 ± 0.3
1630 EN300-98648_2_2 molecule CN1CC[C@H](C1=O)OC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.9 ± 0.2
1631 EN300-98648_2_2 molecule CN1CC[C@H](C1=O)OC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.9 ± 0.2
1632 EN300-366687_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCc6nncn6CC5 −10.9 ± 0.3
1633 EN300-316193_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@H]6COC(=O)[C@H]6C5 −10.9 ± 0.3
1634 EN300-69727_1_1 molecule CC(C)(C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)OC −10.9 ± 0.3
1635 EN300-120436_1_1 molecule Cn1cnn(c1=O)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.9 ± 0.3
1636 EN300-137784_1_1 molecule CC1CCN(CC1)C(=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.9 ± 0.3
1637 EN300-378044_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CC=CCO5 −10.9 ± 0.3
1638 EN300-3044054_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCC(=O)N5C6CC6 −10.9 ± 0.3
1639 EN300-23318_2_2 molecule C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)OC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.9 ± 0.3
1640 EN300-299806_1_1 molecule CO[C@@]1(CCCN(C1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)CO −10.9 ± 0.4
1641 EN300-220676_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C[C@@H]5CCCS(=O)(=O)C5 −10.9 ± 0.3
1642 EN300-174603_3_1 molecule CN(C(=O)CCOCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)OC −10.9 ± 0.3
1643 EN300-55109_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@H]5CO −10.9 ± 0.3
1644 EN300-88819_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5c6c(on5)CCOC6 −10.9 ± 0.2
1645 EN300-172640_3_3 molecule C[C@@H]1[C@H](NC(=O)O1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.9 ± 0.3
1646 EN300-193399_3_1 molecule CC(C)(C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)S(=O)(=O)C5CC5 −10.9 ± 0.3
1647 EN300-23318_3_3 molecule C[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)OCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.9 ± 0.4
1648 EN300-55072_1_1 molecule C[C@@H](CO)C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.9 ± 0.3
1649 EN300-6738732_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@]56COC[C@H]5C6(F)F −10.9 ± 0.3
1650 EN300-80522_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)COC[C@@H]5CCOC5 −10.9 ± 0.3
1651 EN300-6763507_1_1 molecule CO[C@@H]1C[C@@H](CN(C1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −10.9 ± 0.3
1652 EN300-203940_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cnn6c5[nH]ccc6=O −10.9 ± 0.2
1653 EN300-1644723_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H]5[C@@H]6[C@@H]5COCC6 −10.9 ± 0.2
1654 EN300-23214_3_1 molecule CCCNC(=O)[C@@H](C)NC(=O)COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.9 ± 0.3
1655 EN300-52325_3_1 molecule CCCS(=O)(=O)CC(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.9 ± 0.5
1656 EN300-92472_1_1 molecule Cn1c(ccn1)COCC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.9 ± 0.3
1657 EN300-172640_1_1 molecule C[C@@H]1[C@@H](NC(=O)O1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.9 ± 0.2
1658 EN300-159633_1_2 molecule C[C@](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)(C(F)(F)F)O −10.9 ± 0.3
1659 EN300-85760_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]5CCO5 −10.9 ± 0.2
1660 EN300-77359_1_2 molecule C[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)OCCOC −10.9 ± 0.3
1661 EN300-1273362_1_2 molecule C[C@]1(CN(C1=O)C)CO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.9 ± 0.3
1662 EN300-201346_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5COC(=O)N5 −10.9 ± 0.3
1663 EN300-6498856_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC[C@H]5C(=O)NC(=O)N5 −10.9 ± 0.3
1664 EN300-6759637_1_1 molecule C[C@@H]1CN(C[C@H](O1)CO)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.9 ± 0.3
1665 EN300-51350_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H]5CCc6nncn6C5 −10.9 ± 0.3
1666 EN300-358956_1_1 molecule Cc1cc(c(=O)[nH]c1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C#N −10.9 ± 0.3
1667 EN300-75342_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CCn5ccnc5 −10.9 ± 0.4
1668 EN300-75342_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CCn5ccnc5 −10.9 ± 0.4
1669 EN300-36096_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CN5CCCNC5=O −10.9 ± 0.4
1670 EN300-160080_3_1 molecule CS(=O)(=O)c1nnc(s1)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.9 ± 0.3
1671 EN300-195924_3_1 molecule C[C@@]1(CCC(=O)NC1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.9 ± 0.3
1672 EN300-1253178_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)NC5CC5 −10.9 ± 0.2
1673 EN300-1253178_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)NC5CC5 −10.9 ± 0.2
1674 EN300-1258964_3_1 molecule C[C@@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)NC −10.9 ± 0.4
1675 EN300-79022_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cccnn5 −10.9 ± 0.2
1676 EN300-250836_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CCc5c[nH]nc5 −10.9 ± 0.3
1677 EN300-35612_3_1 molecule CN(CC(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)C(=O)COC −10.9 ± 0.3
1678 EN300-331941_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5C[C@H]5C(=O)N −10.9 ± 0.3
1679 EN300-12440_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CC(=O)N(C5)C6CC6 −10.9 ± 0.4
1680 EN300-360157_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C[C@]5(CCOC5)O −10.9 ± 0.3
1681 EN300-51257_3_1 molecule C[C@@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)OC −10.9 ± 0.3
1682 EN300-141628_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccnc(c5)S(=O)(=O)N −10.9 ± 0.4
1683 EN300-302058_1_1 molecule CON1CC[C@@H](C1=O)O[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.9 ± 0.3
1684 EN300-124918_3_1 molecule Cn1c(=O)[nH]c(n1)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.9 ± 0.3
1685 EN300-322332_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cc5ccc(nc5)C(=O)N −10.9 ± 0.4
1686 EN300-55072_3_2 molecule C[C@H](CO)C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.9 ± 0.3
1687 EN300-05754_3_1 molecule C[C@@H](C(=O)N1CCOCC1)OCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.9 ± 0.5
1688 EN300-97904_1_1 molecule CS(=O)(=O)CC1(CC1)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.9 ± 0.4
1689 EN300-259849_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CN5CCCC[C@H](C5=O)O −10.9 ± 0.3
1690 EN300-139167_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@@H]5COCCO5 −10.9 ± 0.3
1691 EN300-139167_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@@H]5COCCO5 −10.9 ± 0.3
1692 EN300-139167_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@@H]5COCCO5 −10.9 ± 0.3
1693 EN300-1696962_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCCCn5cnnn5 −10.9 ± 0.3
1694 EN300-71558_3_1 molecule COC(=O)NCCC(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.9 ± 0.3
1695 EN300-18928_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CSCN5C(=O)C6CC6 −10.9 ± 0.3
1696 EN300-180532_1_2 molecule C[C@H]1CN(CCS(=O)(=O)C1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.9 ± 0.4
1697 EN300-159633_3_1 molecule C[C@@](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)(C(F)(F)F)O −10.9 ± 0.3
1698 EN300-33513_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)CSCC(=O)N −10.9 ± 0.3
1699 EN300-120119_2_1 molecule CN([C@@H]1CCNC1=O)C(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.9 ± 0.3
1700 EN300-174668_3_2 molecule CO[C@]1(CCOC1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.9 ± 0.4
Last updated 2021-02-11T07:27:27.453800+00:00
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