Rank |
Microstate |
SMILES |
ΔG / kcal M-1 |
701 |
EN300-5253939_1_2 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5COC(=O)O5 |
−8.5
± 0.2
|
702 |
EN300-97300_3_2 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5C[C@H]5F |
−8.5
± 0.2
|
703 |
EN300-121144_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cc5ccccc5C(=O)N |
−8.5
± 0.2
|
704 |
EN300-47606_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)NC[C@@H]5CCS(=O)(=O)C5 |
−8.5
± 0.3
|
705 |
EN300-101197_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCc5[nH]ncn5 |
−8.5
± 0.2
|
706 |
EN300-101197_3_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CCc5[nH]ncn5 |
−8.5
± 0.3
|
707 |
EN300-345754_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCOC[C@@H]5CCO |
−8.5
± 0.3
|
708 |
EN300-345754_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCOC[C@@H]5CCO |
−8.5
± 0.3
|
709 |
EN300-256798_1_2 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@H]5CCc6nnnn6CC5 |
−8.5
± 0.2
|
710 |
EN300-01527_1_2 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)NC[C@@H]5CCCO5 |
−8.5
± 0.3
|
711 |
EN300-6736413_3_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCO[C@H]5CCNC5=O |
−8.5
± 0.2
|
712 |
EN300-6736413_3_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCO[C@H]5CCNC5=O |
−8.5
± 0.2
|
713 |
EN300-1644723_3_8 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5[C@H]6[C@H]5COCC6 |
−8.5
± 0.2
|
714 |
EN300-14006_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@@H]5CCS(=O)(=O)C5 |
−8.5
± 0.3
|
715 |
EN300-7385389_3_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cn5cnc(n5)C(F)(F)F |
−8.5
± 0.3
|
716 |
EN300-269453_3_2 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CCc6nnnn6C5 |
−8.5
± 0.3
|
717 |
EN300-33513_3_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CSCC(=O)N |
−8.5
± 0.3
|
718 |
EN300-1662365_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCc6ncnn6C5 |
−8.5
± 0.2
|
719 |
EN300-332606_3_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CCC(=O)O5 |
−8.5
± 0.2
|
720 |
EN300-222357_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCc5cn[nH]n5 |
−8.5
± 0.2
|
721 |
EN300-1212400_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@H](C[C@@H]5CO)CO |
−8.5
± 0.3
|
722 |
EN300-12440_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CC(=O)N(C5)C6CC6 |
−8.5
± 0.2
|
723 |
EN300-01527_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)NC[C@H]5CCCO5 |
−8.5
± 0.3
|
724 |
EN300-34636_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cccc(=O)[nH]5 |
−8.5
± 0.2
|
725 |
EN300-250593_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@H]5CC(=O)N5 |
−8.5
± 0.3
|
726 |
EN300-220676_1_2 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@H]5CCCS(=O)(=O)C5 |
−8.5
± 0.4
|
727 |
EN300-250593_1_2 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@@H]5CC(=O)N5 |
−8.5
± 0.3
|
728 |
EN300-73772_3_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCc5[nH]c(=O)[nH]n5 |
−8.5
± 0.2
|
729 |
EN300-52009_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5(CCC5)O |
−8.5
± 0.2
|
730 |
EN300-6238494_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC(=O)[C@@H]5COCCO5 |
−8.5
± 0.3
|
731 |
EN300-21258_3_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCCO |
−8.5
± 0.2
|
732 |
EN300-1704404_1_2 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CNC(=O)CC56CCC6 |
−8.5
± 0.2
|
733 |
EN300-185751_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cc5cncnc5 |
−8.5
± 0.2
|
734 |
EN300-185751_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cc5cncnc5 |
−8.5
± 0.2
|
735 |
EN300-140751_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCc5nnnn5CC6CC6 |
−8.5
± 0.3
|
736 |
EN300-244403_3_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CNC(=O)O5 |
−8.5
± 0.2
|
737 |
EN300-73772_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCc5[nH]c(=O)[nH]n5 |
−8.5
± 0.2
|
738 |
EN300-102347_4_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCC5(COC5)CO |
−8.5
± 0.2
|
739 |
EN300-128715_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CC(=O)NCC(F)(F)F |
−8.5
± 0.2
|
740 |
EN300-44873_3_2 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CC[N@@]5CCCS5(=O)=O |
−8.5
± 0.6
|
741 |
EN300-170463_3_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CCOC5 |
−8.5
± 0.2
|
742 |
EN300-145616_3_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CCc5cnc[nH]5 |
−8.5
± 0.3
|
743 |
EN300-43939_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CNC(=O)CC(F)(F)F |
−8.5
± 0.2
|
744 |
EN300-201551_1_4 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5COCC[N@@]5CC(F)(F)F |
−8.5
± 0.3
|
745 |
EN300-315792_3_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)COCC(F)F |
−8.5
± 0.2
|
746 |
EN300-6736413_2_2 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CO[C@@H]5CCNC5=O |
−8.5
± 0.2
|
747 |
EN300-6736413_2_2 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CO[C@@H]5CCNC5=O |
−8.5
± 0.2
|
748 |
EN300-6760278_2_2 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC[C@@H]5C[C@@H]6[C@@H](O5)CCO6 |
−8.5
± 0.3
|
749 |
EN300-2690393_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc(cnc5)n6cnnn6 |
−8.5
± 0.3
|
750 |
EN300-7355519_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@H]5C[C@@H]6[C@@H](O5)CCO6 |
−8.5
± 0.3
|
751 |
EN300-50514_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)COc5ccc(cc5)CC(=O)N |
−8.5
± 0.2
|
752 |
EN300-399606_1_2 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc6n(n5)CCC[C@H]6O |
−8.5
± 0.2
|
753 |
EN300-189563_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCC5CS(=O)(=O)C5 |
−8.5
± 0.2
|
754 |
EN300-1717166_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CC56CC(C6)O |
−8.5
± 0.2
|
755 |
EN300-6744029_3_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)c5ccsc5n6cnnn6 |
−8.5
± 0.3
|
756 |
EN300-179091_3_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)COC(F)F |
−8.5
± 0.2
|
757 |
EN300-178829_3_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CC(=O)NCC5CC5 |
−8.5
± 0.3
|
758 |
EN300-120569_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cn(nn5)CCCC#N |
−8.5
± 0.2
|
759 |
EN300-05620_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCCNC(=O)N |
−8.5
± 0.2
|
760 |
EN300-1265948_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)N5CCS(=O)(=O)CC5 |
−8.5
± 0.3
|
761 |
EN300-5253939_3_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5COC(=O)O5 |
−8.5
± 0.2
|
762 |
EN300-7355519_1_5 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@H]5C[C@@H]6[C@H](O5)CCO6 |
−8.5
± 0.3
|
763 |
EN300-100768_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCN6[C@H](C5)CNC(=O)C6=O |
−8.5
± 0.2
|
764 |
MAK-UNK-8be7dca9-4_1
|
|
c1cc2cncc(c2cc1N3CC[NH2+]CC3)NC(=O)[C@@H]4CCOc5c4cc(cc5)Cl |
−8.5
± 0.1
|
765 |
EN300-31998_3_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)c5cn[nH]n5 |
−8.5
± 0.2
|
766 |
EN300-1722017_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5(CC5)n6nccn6 |
−8.5
± 0.2
|
767 |
EN300-6745453_3_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5Cc6nncn6C5 |
−8.5
± 0.3
|
768 |
EN300-259849_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CN5CCCC[C@H](C5=O)O |
−8.5
± 0.2
|
769 |
EN300-370967_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCN5CCOC5=O |
−8.5
± 0.3
|
770 |
EN300-370967_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCN5CCOC5=O |
−8.5
± 0.3
|
771 |
EN300-08259_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)NCCCN5CCCC5=O |
−8.5
± 0.3
|
772 |
EN300-135182_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc(=O)n6c(n5)nc[nH]6 |
−8.5
± 0.2
|
773 |
EN300-140582_1_4 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5COCC[N@@]5CC(F)F |
−8.5
± 0.3
|
774 |
EN300-107823_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCCn5ncnn5 |
−8.4
± 0.3
|
775 |
EN300-14767_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCCN(C5)C(=O)N |
−8.4
± 0.2
|
776 |
EN300-142333_1_2 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@H](C6(C5)CC6)O |
−8.4
± 0.2
|
777 |
EN300-261365_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5CS(=O)(=O)C5 |
−8.4
± 0.2
|
778 |
EN300-1911992_2_3 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC[C@H]([C@H]5CCOC5)O |
−8.4
± 0.3
|
779 |
EN300-221518_3_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCCCO |
−8.4
± 0.2
|
780 |
EN300-221518_3_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCCCO |
−8.4
± 0.2
|
781 |
EN300-221518_3_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCCCO |
−8.4
± 0.2
|
782 |
EN300-18928_3_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CSCN5C(=O)C6CC6 |
−8.4
± 0.3
|
783 |
EN300-203293_4_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOC[C@H]5CNC(=O)O5 |
−8.4
± 0.2
|
784 |
EN300-203293_3_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@H]5CNC(=O)O5 |
−8.4
± 0.3
|
785 |
EN300-6491117_3_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cc5cnco5 |
−8.4
± 0.2
|
786 |
EN300-1911992_1_2 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@@H]([C@@H]5CCOC5)O |
−8.4
± 0.3
|
787 |
EN300-310888_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCc5nnc6n5CCOCC6 |
−8.4
± 0.2
|
788 |
EN300-222357_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCCc5cn[nH]n5 |
−8.4
± 0.2
|
789 |
EN300-249764_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H](C5CCC5)O |
−8.4
± 0.3
|
790 |
EN300-317555_4_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCC5=NCCO5 |
−8.4
± 0.2
|
791 |
EN300-68203_3_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C[C@H]5CCC(=O)N5 |
−8.4
± 0.2
|
792 |
EN300-6238494_3_2 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)[C@H]5COCCO5 |
−8.4
± 0.3
|
793 |
EN300-214800_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCN5CCNC5=O |
−8.4
± 0.3
|
794 |
EN300-861925_3_2 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCO[C@@H](CO)F |
−8.4
± 0.2
|
795 |
EN300-107990_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CNC(=O)c5cccnc5 |
−8.4
± 0.2
|
796 |
EN300-6732784_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCc6c(c([nH]n6)CO)C5 |
−8.4
± 0.2
|
797 |
EN300-19242_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CO |
−8.4
± 0.2
|
798 |
EN300-1911992_1_3 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@H]([C@H]5CCOC5)O |
−8.4
± 0.3
|
799 |
EN300-1608590_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCc5nc(on5)N6CCOCC6 |
−8.4
± 0.3
|
800 |
EN300-246747_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC[C@@H]5CC(=O)NC5 |
−8.4
± 0.2
|