Microstates

Showing 701 through 800 of 7698
Rank Microstate SMILES ΔG / kcal M-1
701 EN300-6493972_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@]56C[C@H]5[C@@H](C6)O −11.1 ± 0.2
702 EN300-1709315_3_2_1 molecule C[C@]1(CCCNS1(=O)=O)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.1 ± 0.5
703 EN300-1715993_4_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCCn5ccnn5 −11.1 ± 0.3
704 EN300-385235_1_2_1 molecule C[C@]1(CCS(=O)(=O)N1)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.1 ± 0.3
705 EN300-702714_1_1_1 molecule Cc1c(c(=O)cco1)OCC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.1 ± 0.3
706 EN300-17381_3_2_1 molecule C[C@H](C(=O)N)OCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.1 ± 0.2
707 EN300-17381_3_2_1 molecule C[C@H](C(=O)N)OCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.1 ± 0.2
708 EN300-17381_3_2_1 molecule C[C@H](C(=O)N)OCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.1 ± 0.2
709 EN300-51886_1_1_1 molecule C[NH+]1CCC(CC1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.1 ± 0.4
710 EN300-120820_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5cn[nH]c5=O −11.1 ± 0.2
711 EN300-194199_1_1_1 molecule COCCn1cc(cn1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.1 ± 0.3
712 EN300-306316_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCc5[nH]ncn5 −11.1 ± 0.2
713 EN300-226314_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)[C@@H]5CCS(=O)(=O)C5 −11.1 ± 0.3
714 EN300-93573_1_1_1 molecule CN(C)C(=O)CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.1 ± 0.3
715 EN300-383904_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CCNC(=O)CO −11.1 ± 0.3
716 EN300-04614_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccc(=O)[nH]n5 −11.1 ± 0.2
717 EN300-246423_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CC5(CCC5)O −11.1 ± 0.2
718 EN300-07879_1_1_1 molecule CSCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.1 ± 0.2
719 EN300-1726073_1_1_1 molecule Cn1c(cnn1)C(C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)(F)F −11.1 ± 0.3
720 EN300-297561_3_1_1 molecule CC(C)[C@@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)n5cnnn5 −11.1 ± 0.4
721 EN300-1248250_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5CN(C5)C(=O)N −11.1 ± 0.3
722 PET-UNK-5ecb6237-1_1 molecule c1ccc2c(c1)cncc2N(C#N)C(=O)Cc3cccc(c3)Cl −11.1 ± 0.3
723 EN300-227310_1_1_1 molecule Cn1c(c(cn1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)OC −11.1 ± 0.3
724 EN300-221156_1_1_1 molecule Cn1c(c2n(c1=O)CCCC2)C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −11.1 ± 0.3
725 EN300-100467_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5ccnn5 −11.1 ± 0.2
726 EN300-210552_3_1_1 molecule CC(=O)N1CCC[C@@](C1)(C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −11.1 ± 0.5
727 VLA-UCB-34f3ed0c-1_1_2 molecule C[C@H](C#N)C(=O)N(c1cncc2c1cccc2)C(=O)[C@@H]3CCOc4c3cc(cc4)Cl −11.1 ± 0.2
728 EN300-123489_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C(CO)(F)F −11.1 ± 0.2
729 MIC-UNK-9582b2c5-1_7 molecule CC(=O)N1CC[C@@H]2[C@H](C1)CN(C(=O)[C@H]2c3cccc(c3)Cl)c4cncc5c4cccc5 −11.1 ± 0.3
730 EN300-66849_1_1_1 molecule COCCN(CCO)C(=O)C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.1 ± 0.5
731 EN300-1239522_1_1_1 molecule C[C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)C(=O)OC −11.1 ± 0.2
732 EN300-155176_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@@H]5CCCS5(=O)=O −11.1 ± 0.3
733 EN300-77359_1_1_1 molecule C[C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)OCCOC −11.1 ± 0.3
734 EN300-103638_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CN5CCCOC5=O −11.1 ± 0.3
735 EN300-1664865_1_1_1 molecule Cn1c2c(nn1)CCC[C@@H]2C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −11.1 ± 0.2
736 EN300-128464_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CC(=O)NC5CC5 −11.1 ± 0.3
737 EN300-14628_1_1_1 molecule C[N@](CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)[C@@H]5CCS(=O)(=O)C5 −11.1 ± 0.4
738 CHO-MSK-5891c1ff-2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)[C@H]5COCCO5 −11.1 ± 0.3
739 EDJ-MED-d203f206-19_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5[C@H](CCC[C@H]5CO)CO −11.1 ± 0.5
740 EN300-220527_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cc5[nH]ccn5 −11.1 ± 0.2
741 EN300-250593_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@H]5CC(=O)N5 −11.1 ± 0.2
742 DAR-DIA-5ff57136-14_1 molecule CC(C)(C#C)N(c1cncc2c1cccc2)C(=O)[C@@H]3CCOc4c3cc(cc4)Cl −11.1 ± 0.2
743 EN300-7459768_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5CC(C5)(C6(CCC6)O)O −11.1 ± 0.3
744 EN300-122319_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5c(=O)[nH]c(=O)[nH]n5 −11.1 ± 0.2
745 EN300-72730_3_2_1 molecule C[C@H](C#N)C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.1 ± 0.2
746 EN300-6736413_3_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCO[C@H]5CCNC5=O −11.1 ± 0.3
747 EN300-6736413_3_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCO[C@H]5CCNC5=O −11.1 ± 0.3
748 EN300-98143_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5c(cn[nH]5)F −11.1 ± 0.2
749 EN300-92447_1_2_2 molecule C[C@H]1C[C@@H](ON1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.1 ± 0.3
750 EDG-MED-90036822-6_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cn(nn5)CC6C[NH2+]C6 −11.1 ± 0.3
751 EN300-54837_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CN5C(=O)CCCC5=O −11.1 ± 0.3
752 EN300-7465222_2_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC[C@@H]5C[C@H]5N(=O)=O −11.1 ± 0.2
753 DAR-DIA-6a508060-9_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC5CCCCC5 −11.1 ± 0.2
754 EN300-1911992_2_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC[C@H]([C@@H]5CCOC5)O −11.1 ± 0.3
755 EN300-6729572_1_5_1 molecule C[C@@H]([C@@H]1C[C@H]1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −11.0 ± 0.3
756 EN300-1270299_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccc(cn5)CO −11.0 ± 0.2
757 EN300-141695_1_2_1 molecule CN1CC[C@H](C1=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.0 ± 0.3
758 EN300-1726073_3_1_1 molecule Cn1c(cnn1)C(C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)(F)F −11.0 ± 0.4
759 EN300-124301_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCCn5ccnn5 −11.0 ± 0.3
760 EN300-158292_1_2_1 molecule CC(=O)N[C@H](C1CCOCC1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.0 ± 0.3
761 EN300-321459_1_1_1 molecule CN(C1CC(C1)C(=O)N)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.0 ± 0.2
762 EN300-204936_1_1_1 molecule Cn1c(cnn1)C(=O)CO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.0 ± 0.2
763 EN300-307008_3_2_1 molecule CN1[C@H](CNC1=O)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.0 ± 0.3
764 EN300-255795_1_1_1 molecule CN1C[C@@H](NC1=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.0 ± 0.2
765 EN300-1718194_1_1_1 molecule CO[C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)C(=O)OC −11.0 ± 0.3
766 EN300-23317_3_2_1 molecule C[C@H](C(=O)NCCOC)OCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.0 ± 0.3
767 EN300-1262640_1_1_1 molecule CC(C)NC(=O)C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.0 ± 0.3
768 EN300-55072_3_1_1 molecule C[C@@H](CO)C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.0 ± 0.3
769 EN300-132624_1_1_1 molecule CCC(=O)CNC(=O)CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.0 ± 0.3
770 EN300-44993_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc(cnc5)C(=O)N −11.0 ± 0.2
771 EN300-1706036_3_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@H]5C(=O)NCCO5 −11.0 ± 0.3
772 EN300-160277_1_1_1 molecule COCCn1ccc(n1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.0 ± 0.3
773 EN300-258477_1_1_1 molecule C[C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)OC −11.0 ± 0.3
774 VLA-UCB-1dbca3b4-18_2 molecule c1ccc2c(c1)cncc2N3C(=O)[C@H](CNC3=O)c4cccc(c4)Cl −11.0 ± 0.2
775 EN300-249764_3_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H](C5CCC5)O −11.0 ± 0.4
776 EN300-255422_1_1_1 molecule Cc1cn(nc1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C −11.0 ± 0.2
777 EN300-1688983_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCS(=O)(=O)[N@@]6[C@H]5CCC6 −11.0 ± 0.4
778 EN300-101796_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccnc(c5)OCCO −11.0 ± 0.3
779 EN300-1703718_3_1_1 molecule CC(=O)N1C[C@@H](C[C@H]1C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −11.0 ± 0.4
780 EN300-263392_1_1_1 molecule CS(=O)(=O)Cc1nc(co1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.0 ± 0.3
781 EN300-27672_1_1_1 molecule Cc1c(cn[nH]1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.0 ± 0.2
782 EN300-99391_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CO[C@@H]5CCOC5 −11.0 ± 0.3
783 EN300-222357_2_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCCc5cn[nH]n5 −11.0 ± 0.3
784 EN300-107267_3_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCO[C@H]5CCCNC5=O −11.0 ± 0.3
785 EN300-92664_1_1_1 molecule COCCn1c(ccn1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.0 ± 0.3
786 PET-UNK-7be94445-2_1 molecule c1ccc2c(c1)cncc2N3CCN(C3=O)c4cccc(c4)Cl −11.0 ± 0.3
787 EN300-69368_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5(CCOCC5)O −11.0 ± 0.3
788 EN300-123589_1_1_1 molecule CC(C)(C)S(=O)(=O)CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.0 ± 0.3
789 EN300-366931_1_1_1 molecule COc1cnnc(c1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)OC −11.0 ± 0.3
790 EN300-112500_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N(CC(=O)N)C5CC5 −11.0 ± 0.3
791 EN300-1588613_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CC[N@@H+]6[C@@H]5COCC6 −11.0 ± 0.3
792 EN300-36111_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CN5CCCCC5=O −11.0 ± 0.3
793 EN300-169955_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5[C@@H](CC(=O)N5)C(F)(F)F −11.0 ± 0.3
794 EN300-129455_1_1_1 molecule CCNC(=O)CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.0 ± 0.3
795 EDG-MED-90036822-57_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CC[C@H](C(F)F)N −11.0 ± 0.4
796 ED_-GRI-5b13fbe2-44_1 molecule Cc1c(nnn1CC(CO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)(F)F)C[NH3+] −11.0 ± 0.3
797 EDJ-MED-d203f206-2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)Nc5ncon5 −11.0 ± 0.2
798 EN300-74029_1_1_1 molecule C[C@@H]1CC(=O)NCCN1C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.0 ± 0.3
799 EN300-6505003_1_1_1 molecule C[C@@H]1CC[C@@H](C(=O)N1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.0 ± 0.4
800 EN300-35789_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5cccnc5=O −11.0 ± 0.3
Last updated 2021-02-17T18:02:40.003401+00:00
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