Microstates

Showing 1601 through 1700 of 7698
Rank Microstate SMILES ΔG / kcal M-1
1601 EN300-139167_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@@H]5COCCO5 −10.4 ± 0.3
1602 EN300-139167_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@@H]5COCCO5 −10.4 ± 0.3
1603 EN300-222357_4_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCCc5cn[nH]n5 −10.4 ± 0.4
1604 EN300-373791_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)c5ccnn5CC#N −10.4 ± 0.3
1605 EN300-1081277_1_1_1 molecule CNC(=O)CCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.4 ± 0.3
1606 EN300-02067_1_2_1 molecule C[C@H](COC)NC(=O)CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.4 ± 0.3
1607 EN300-2983332_1_2_1 molecule CC(C)[C@H]1CNC(=O)CN1C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.4 ± 0.3
1608 EN300-1138792_3_1_1 molecule Cn1cnnc1CCC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.4 ± 0.3
1609 EN300-74089_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5(CCOCC5)C#N −10.4 ± 0.4
1610 EN300-52983_3_2_1 molecule CN1C[C@H](CCC1=O)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.4 ± 0.3
1611 EN300-26147_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCn5cncn5 −10.4 ± 0.3
1612 EN300-181492_1_2_1 molecule C=C[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −10.4 ± 0.2
1613 EN300-6479181_1_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CC[C@H]6N5C(=O)CC6 −10.4 ± 0.3
1614 EN300-5638430_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC5CS(=O)(=O)C5 −10.4 ± 0.3
1615 EN300-370280_1_1_1 molecule C[C@]1(CCC(=O)N1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.4 ± 0.2
1616 EN300-154201_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCOC[C@@H]5CO −10.4 ± 0.3
1617 EN300-154201_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCOC[C@@H]5CO −10.4 ± 0.3
1618 EDG-MED-90036822-104_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ncc(cn5)[C@H]6CC[NH2+]C6 −10.4 ± 0.4
1619 BEN-BAS-c2bc0d80-1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CC=Nc4c3cc(cc4)Cl −10.4 ± 0.3
1620 EN300-6734171_3_2_1 molecule C[C@]1(CCC(=O)N(C1)C)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.4 ± 0.4
1621 EN300-197715_4_1_1 molecule Cc1nnnn1CCCOCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.4 ± 0.3
1622 EN300-94900_4_1_1 molecule CS(=O)(=O)Cc1nc(on1)COCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.4 ± 0.3
1623 EN300-2855057_1_1_1 molecule C[C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)C(=O)N5CCOCC5 −10.4 ± 0.3
1624 EN300-325738_1_2_1 molecule CN1[C@H](CCCC1=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.4 ± 0.2
1625 EN300-128431_1_1_1 molecule Cn1c2c(cc(cn2)C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6)nn1 −10.4 ± 0.2
1626 EN300-18561_1_1_1 molecule CC(=O)NCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.4 ± 0.2
1627 EN300-75875_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccnnc5 −10.4 ± 0.2
1628 EN300-193399_1_1_1 molecule CC(C)(C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)S(=O)(=O)C5CC5 −10.4 ± 0.3
1629 EDJ-MED-d203f206-37_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCS(=O)CC5 −10.4 ± 0.3
1630 EN300-260603_2_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCc5c[nH]c(=O)[nH]5 −10.3 ± 0.3
1631 EN300-203940_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5c[nH]n6c5nccc6=O −10.3 ± 0.3
1632 EN300-321790_2_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5C[C@@H]6C[C@H]5CO6 −10.3 ± 0.3
1633 EN300-31387_1_1_1 molecule CS(=O)(=O)CCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.3 ± 0.3
1634 EN300-214552_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc6c([nH]c(=O)[nH]6)nc5 −10.3 ± 0.3
1635 ALP-UNI-3496895b-5_1 molecule C[C@@H]1C[N@@](CC[C@@H]1NC(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)S(=O)(=O)C −10.3 ± 0.4
1636 EDJ-MED-d203f206-35_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@H]6[C@@H](C5)C(=O)NC6=O −10.3 ± 0.3
1637 EN300-1708620_3_1_1 molecule C[NH+](C)CCSCC(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.3 ± 0.4
1638 EN300-7473354_3_1_1 molecule Cc1ncn(n1)CC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.3 ± 0.4
1639 EN300-207959_1_1_1 molecule C[C@@]1(CCNC1=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.3 ± 0.3
1640 EN300-265285_1_2_1 molecule C[C@H]1Cn2c(cc(n2)C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6)C(=O)N1 −10.3 ± 0.3
1641 EN300-113218_3_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CS[C@H]5CCOC5=O −10.3 ± 0.4
1642 EN300-77359_1_2_1 molecule C[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)OCCOC −10.3 ± 0.2
1643 MIC-UNK-d36ab305-5_1 molecule CN(C)c1ccc(cc1)N(c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 −10.3 ± 0.3
1644 EN300-20496_2_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CO[C@@H]5CCOC5=O −10.3 ± 0.2
1645 EN300-1726340_1_1_1 molecule Cn1ccc(n1)n2cc(nc2)C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −10.3 ± 0.2
1646 EN300-2977549_3_1_1 molecule CNC(=O)COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.3 ± 0.2
1647 EN300-2977549_3_1_1 molecule CNC(=O)COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.3 ± 0.2
1648 EN300-7121836_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cn[nH]c5F −10.3 ± 0.2
1649 EN300-172640_3_4_1 molecule C[C@H]1[C@H](NC(=O)O1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.3 ± 0.3
1650 EN300-658865_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc([nH]n5)CO −10.3 ± 0.2
1651 EN300-71405_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cc5ccn[nH]5 −10.3 ± 0.2
1652 EN300-101505_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CC(=O)N5 −10.3 ± 0.2
1653 EN300-118045_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cnc([nH]c5=O)C6CC6 −10.3 ± 0.4
1654 EN300-85760_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCO5 −10.3 ± 0.2
1655 EN300-205110_2_1_1 molecule C[C@H](CO)N(C)C(=O)CC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.3 ± 0.2
1656 EN300-1664865_1_2_1 molecule Cn1c2c(nn1)CCC[C@H]2C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −10.3 ± 0.3
1657 EN300-7355519_3_7_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C[C@@H]5C[C@H]6[C@H](O5)CCO6 −10.3 ± 0.4
1658 EN300-637424_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cn(nn5)[C@@H]6COC[C@H]6O −10.3 ± 0.3
1659 EN300-155498_1_1_1 molecule CC(C)[C@H](CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −10.3 ± 0.3
1660 EN300-122656_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@]5(CCSC5)O −10.3 ± 0.4
1661 EN300-247951_1_1_1 molecule C[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)OC −10.3 ± 0.2
1662 EDJ-MED-e4b030d8-4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4OC5COC5)Cl −10.3 ± 0.2
1663 EN300-42154_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CS(=O)(=O)C5CCCC5 −10.3 ± 0.4
1664 ALP-UNI-76695c4f-8_2 molecule C[N@](C1CCN(CC1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)S(=O)(=O)C −10.3 ± 0.3
1665 EN300-6745081_3_2_1 molecule C[C@]1(CCCCNC1=O)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.3 ± 0.4
1666 EN300-1719432_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5nc(nn5)C6CC6 −10.3 ± 0.3
1667 EN300-312618_1_1_1 molecule Cn1cc(n(c1=O)C)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.3 ± 0.2
1668 EN300-263346_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5c(=O)n6c(n5)CCCC6 −10.3 ± 0.3
1669 EN300-331828_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)O[C@@H]5COC[C@H]5O −10.3 ± 0.2
1670 EN300-331828_4_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCO[C@@H]5COC[C@H]5O −10.3 ± 0.3
1671 EN300-120068_3_1_1 molecule C[C@@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)OC −10.3 ± 0.3
1672 EN300-11195_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)N5CCC5 −10.3 ± 0.2
1673 ED_-GRI-5b13fbe2-60_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCn5cc6c(n5)CC[C@H](C6)[NH3+] −10.3 ± 0.4
1674 EN300-1452069_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H](CC5CCOCC5)O −10.3 ± 0.3
1675 EN300-39005_1_1_1 molecule CN(CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)C(=O)OC −10.3 ± 0.3
1676 MAK-UNK-83e0a0b4-4_1_1 molecule CCCCc1ccc2c(c1)[C@@H](CCO2)C(=O)N(CCNC3C[NH2+]C3)c4cncc5c4cccc5 −10.3 ± 0.4
1677 EN300-245036_1_1_1 molecule C[C@H]1[C@@H](CCN1C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −10.3 ± 0.3
1678 EN300-95507_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc(on5)CO −10.3 ± 0.2
1679 EDG-MED-90036822-37_1 molecule C[C@@H]([C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)F)O −10.3 ± 0.2
1680 EN300-299532_3_2_1 molecule CC(C)([C@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O)O −10.3 ± 0.3
1681 EN300-104029_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@H]6[C@@H](C5)C(=O)NC6=O −10.3 ± 0.2
1682 EN300-217343_2_1_1 molecule Cn1c2c(nn1)CC[C@@H](C2)C(=O)NC[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −10.3 ± 0.4
1683 EN300-53395_3_1_1 molecule CCS(=O)(=O)CC(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.3 ± 0.4
1684 EN300-783124_2_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H]([C@H]5CCOC5)F −10.3 ± 0.2
1685 EN300-61898_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccc(nn5)n6ccnc6 −10.3 ± 0.3
1686 EN300-76205_1_1_1 molecule CC(C)(C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)S(=O)(=O)C −10.3 ± 0.3
1687 EN300-173562_2_3_1 molecule C[C@@H]1C[C@H](CN1C(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −10.3 ± 0.3
1688 EN300-173562_2_3_1 molecule C[C@@H]1C[C@H](CN1C(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −10.3 ± 0.3
1689 EN300-1241327_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)N5CCOCC5 −10.3 ± 0.3
1690 EN300-1241327_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)N5CCOCC5 −10.3 ± 0.3
1691 EN300-704025_3_1_1 molecule COC1(CS(=O)(=O)C1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.3 ± 0.4
1692 EN300-202757_1_1_1 molecule C[C@@H](CC(=O)N)C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.3 ± 0.3
1693 EN300-1706036_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@@H]5C(=O)NCCO5 −10.3 ± 0.3
1694 EN300-206592_3_1_1 molecule CCC[C@@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)S(=O)(=O)N −10.3 ± 0.3
1695 EN300-1700760_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5CC6(C5)CC(=O)N6 −10.3 ± 0.2
1696 EN300-151461_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cn(nn5)[C@H]6CCOC6 −10.3 ± 0.2
1697 EN300-201553_3_1_1 molecule Cn1cc(cn1)OCC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.3 ± 0.3
1698 EN300-201553_3_1_1 molecule Cn1cc(cn1)OCC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.3 ± 0.3
1699 EN300-6745453_3_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5Cc6nncn6C5 −10.3 ± 0.4
1700 EN300-2958082_1_1_1 molecule C[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)NC −10.3 ± 0.3
Last updated 2021-02-17T18:02:40.003401+00:00
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