Microstates

Showing 701 through 800 of 11295
Rank Microstate SMILES ΔG / kcal M-1
701 EN300-92447_1_1 molecule CC1=NO[C@@H](C1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.6 ± 0.3
702 EN300-1694056_1_1 molecule CC1([C@@H](CC(=O)N1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C −11.6 ± 0.3
703 EN300-300519_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cc5csnn5 −11.6 ± 0.2
704 EN300-295132_1_1 molecule Cn1cncc(c1=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.6 ± 0.4
705 EN300-702615_1_1 molecule CCc1nc(on1)COCC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.6 ± 0.3
706 EN300-154942_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5OCCO5 −11.6 ± 0.2
707 EN300-208236_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCCc6c5nn[nH]6 −11.6 ± 0.2
708 EN300-302058_3_2 molecule CON1CC[C@H](C1=O)OCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.6 ± 0.3
709 EN300-6764836_1_8 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CC6[C@H]([C@H](C5O6)O)O −11.6 ± 0.3
710 EN300-12139_1_1 molecule CN(C)C(=O)CSCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.6 ± 0.3
711 EN300-00904_1_1 molecule Cc1cc(n2c(n1)nc(n2)C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6)C −11.6 ± 0.2
712 EN300-60033_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)COC[C@H]5CCCO5 −11.6 ± 0.3
713 EN300-705386_1_1 molecule COC[C@@H]1C[C@H]1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.6 ± 0.2
714 EN300-705386_1_1 molecule COC[C@@H]1C[C@H]1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.6 ± 0.2
715 EN300-1439991_1_1 molecule Cn1nc(c(n1)Br)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.6 ± 0.2
716 EN300-105693_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5(COC5)CO −11.6 ± 0.3
717 EN300-761746_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCc5c(=O)[nH]c(=O)[nH]n5 −11.6 ± 0.3
718 VLA-UCB-34f3ed0c-1_1 molecule C=C(C#N)C(=O)N(c1cncc2c1cccc2)C(=O)[C@@H]3CCOc4c3cc(cc4)Cl −11.6 ± 0.2
719 EN300-7434209_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cncc6c5[nH]c(=O)[nH]6 −11.6 ± 0.3
720 EN300-249421_3_3 molecule C[C@@H]([C@H]1CCC(=O)N1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.6 ± 0.3
721 EN300-1664865_3_1 molecule Cn1c2c(nn1)CCC[C@@H]2C(=O)NCC[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −11.6 ± 0.4
722 EN300-6482296_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CO[C@@H]6[C@@H]5COC6 −11.6 ± 0.3
723 DAR-DIA-5ff57136-17_1 molecule c1ccc2c(c1)cncc2N(CC#CBr)C(=O)[C@@H]3CCOc4c3cc(cc4)Cl −11.6 ± 0.2
724 NAU-LAT-b7d8c353-8_1 molecule c1cc(c2cncc(c2c1)NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl)CN −11.60 ± 0.09
725 EN300-6736394_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C56CC(CCO5)OC6 −11.6 ± 0.3
726 EN300-7456948_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cc5cccnn5 −11.6 ± 0.3
727 EN300-51350_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCc6nncn6C5 −11.6 ± 0.3
728 EN300-223187_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5c6c(nn5)CCCC6 −11.6 ± 0.3
729 EN300-98018_3_1 molecule CC(=O)N1CC[C@@](C1)(C)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.6 ± 0.3
730 EN300-87536_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]5CCCN5C(=O)N −11.6 ± 0.3
731 EN300-297561_1_1 molecule CC(C)[C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)n5cnnn5 −11.6 ± 0.3
732 EN300-199991_1_1 molecule Cc1cc(=O)c(cn1C)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.6 ± 0.3
733 EN300-182124_3_1 molecule COC1(CC1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.6 ± 0.3
734 EN300-3710141_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@]5(CCCO5)C#N −11.6 ± 0.3
735 EN300-05512_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)N[C@@H]5CCS(=O)(=O)C5 −11.6 ± 0.3
736 EN300-120282_3_1 molecule Cn1cc(nn1)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.6 ± 0.3
737 EN300-2983057_1_1 molecule Cn1c(c(cn1)C#N)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.6 ± 0.2
738 EN300-6505003_1_3 molecule C[C@@H]1CC[C@H](C(=O)N1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.6 ± 0.2
739 EN300-69070_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5(CC5)C(=O)N −11.6 ± 0.3
740 EN300-1072199_3_2 molecule CO[C@]1(CCCOC1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.6 ± 0.4
741 EN300-79180_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H](C5CCOCC5)O −11.6 ± 0.4
742 EN300-332002_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCc6n5c(=O)ccc6 −11.6 ± 0.3
743 EN300-80940_1_1 molecule C[C@@H]1[C@@H](S(=O)(=O)CCN1C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C −11.6 ± 0.4
744 EN300-316258_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)COCc5cc[nH]c(=O)c5 −11.6 ± 0.3
745 EN300-38979_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5ccnc5 −11.6 ± 0.2
746 EN300-38979_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5ccnc5 −11.6 ± 0.2
747 EN300-131799_1_1 molecule Cc1nc2nccc(n2n1)C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −11.6 ± 0.2
748 EN300-248883_3_1 molecule COC[C@@]1(CCOC1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.6 ± 0.3
749 EN300-124384_1_1 molecule Cn1c2c(cn1)c(c(cn2)C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6)O −11.6 ± 0.3
750 EN300-216673_2_1 molecule Cn1c(cnn1)COC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.6 ± 0.2
751 EN300-20233_1_1 molecule COCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.6 ± 0.2
752 EN300-1267109_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5c(cn[nH]5)C#N −11.6 ± 0.3
753 EN300-40947_1_1 molecule C[C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)S(=O)(=O)C(C)C −11.6 ± 0.3
754 EN300-169955_3_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 −11.6 ± 0.3
755 EN300-185398_1_2 molecule C[C@H](C(C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)(F)F)O −11.6 ± 0.2
756 JOH-SUS-a69c159d-6_1 molecule c1ccc2c(c1)c(c(nc2F)F)NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl −11.57 ± 0.06
757 EN300-343562_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCC[C@H]([C@H]5CO)CO −11.6 ± 0.5
758 EN300-7437385_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@H]5CN6CCC[C@H]6CO5 −11.6 ± 0.5
759 EN300-157541_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCS(=O)(=O)C[C@H]5CO −11.6 ± 0.5
760 EN300-108236_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5cc(nn5)CO −11.6 ± 0.2
761 EN300-1590388_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5cc(cn5)C#N −11.6 ± 0.3
762 EN300-66845_1_1 molecule COC(=O)N1CCC[C@@H]1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.6 ± 0.3
763 EN300-185727_1_2 molecule Cn1c2c(nn1)C[C@H](CC2)C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −11.6 ± 0.3
764 EN300-702714_1_1 molecule Cc1c(c(=O)cco1)OCC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.6 ± 0.3
765 EN300-6729572_1_5 molecule C[C@@H]([C@@H]1C[C@H]1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −11.6 ± 0.3
766 EN300-142957_1_1 molecule Cn1cc(c(n1)OC)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.6 ± 0.2
767 EN300-177118_1_1 molecule C[C@@]1(CCC(=O)N1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.6 ± 0.3
768 EN300-255422_1_1 molecule Cc1cn(nc1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C −11.6 ± 0.2
769 EN300-156318_1_1 molecule COc1cc[nH]c(=O)c1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.6 ± 0.3
770 EN300-366931_1_1 molecule COc1cnnc(c1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)OC −11.6 ± 0.4
771 EN300-6744028_1_7 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CC6CC5[C@H]([C@H]6O)O −11.6 ± 0.3
772 VLA-UCB-50c39ae8-6_1 molecule c1ccc2c(c1)cncc2N(C(=O)CCl)C(=O)[C@@H]3CCOc4c3cc(cc4)Cl −11.6 ± 0.2
773 EN300-6494158_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@@H]5C[C@@H](CO5)CO −11.5 ± 0.3
774 EN300-325738_1_2 molecule CN1[C@H](CCCC1=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.5 ± 0.3
775 EN300-4254263_1_1 molecule Cn1ccn2c1c(cn2)C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −11.5 ± 0.2
776 EN300-373791_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccnn5CC#N −11.5 ± 0.2
777 EN300-343787_1_1 molecule CN1[C@H](CCC1=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.5 ± 0.3
778 EN300-14767_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CCCN(C5)C(=O)N −11.5 ± 0.4
779 EN300-1717166_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CC56CC(C6)O −11.5 ± 0.2
780 EN300-1644723_3_6 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5[C@@H]6[C@H]5COCC6 −11.5 ± 0.3
781 EN300-92447_1_2 molecule CC1=NO[C@H](C1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.5 ± 0.2
782 EN300-13890_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CS[C@@H]5CCS(=O)(=O)C5 −11.5 ± 0.3
783 EN300-201551_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5COCCN5CC(F)(F)F −11.5 ± 0.3
784 VLA-UCB-34f3ed0c-21_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)C(=O)CC[C@@H]5CC(=O)NC5 −11.5 ± 0.3
785 EN300-90142_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCC[C@@H](C5)C(=O)N −11.5 ± 0.3
786 EN300-6482296_1_5 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CO[C@@H]6[C@H]5COC6 −11.5 ± 0.3
787 EN300-1666501_1_1 molecule Cc1cc(n2c(n1)ncn2)C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −11.5 ± 0.3
788 EN300-3710141_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@]5(CCCO5)C#N −11.5 ± 0.3
789 EN300-1718428_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@]6(CCC[C@]6(C5)CO)CO −11.5 ± 0.4
790 EN300-1239522_1_1 molecule C[C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)C(=O)OC −11.5 ± 0.2
791 EN300-1608240_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC(=O)N6[C@H]5COCC6 −11.5 ± 0.3
792 EN300-224741_1_1 molecule CC[C@@H](CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −11.5 ± 0.2
793 EN300-341337_1_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@]56CCO[C@H]5CCOC6 −11.5 ± 0.4
794 EN300-343474_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@@H]5CCNC5=O −11.5 ± 0.3
795 EN300-217343_1_2 molecule Cn1c2c(nn1)CC[C@H](C2)C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −11.5 ± 0.3
796 EN300-54891_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@@H]5CO −11.5 ± 0.3
797 EN300-105693_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C5(COC5)CO −11.5 ± 0.3
798 EN300-7463176_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cnn6c5c(=O)[nH]cc6 −11.5 ± 0.3
799 EN300-123489_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C(CO)(F)F −11.5 ± 0.2
800 EN300-305282_1_2 molecule COC[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)OC −11.5 ± 0.4
Last updated 2021-02-11T07:27:27.453800+00:00
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