Microstates

Showing 801 through 900 of 7698
Rank Microstate SMILES ΔG / kcal M-1
801 EN300-151330_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cn(nn5)c6cccnc6 −11.0 ± 0.2
802 EN300-21303_1_1_1 molecule CCOCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.0 ± 0.2
803 EN300-42536_1_1_1 molecule Cc1cc(nc(=O)[nH]1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.0 ± 0.2
804 EN300-7430501_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCn6c(cnn6)C5 −11.0 ± 0.3
805 EN300-7430501_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCn6c(cnn6)C5 −11.0 ± 0.3
806 EN300-33478_1_1_1 molecule CCN1C[C@@H](CC1=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.0 ± 0.3
807 EN300-14628_1_2_1 molecule C[N@@](CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)[C@H]5CCS(=O)(=O)C5 −11.0 ± 0.4
808 EN300-246440_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5(CC5)n6cncn6 −11.0 ± 0.3
809 CHO-MSK-a31cca77-4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)Nc5ncon5 −11.0 ± 0.2
810 EN300-6478433_3_1_1 molecule CCn1c(nn(c1=O)CC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C −11.0 ± 0.4
811 EDJ-MED-d203f206-39_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@](C5)(C(=O)N)O −11.0 ± 0.4
812 ED_-GRI-5b13fbe2-32_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCc5cn(nn5)C6C[NH2+]C6 −11.0 ± 0.3
813 DAR-DIA-5ff57136-11_1_1 molecule C/C=C\C(=O)N(c1cncc2c1cccc2)C(=O)[C@@H]3CCOc4c3cc(cc4)Cl −11.0 ± 0.2
814 ALP-UNI-dbbfd3db-3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CN5CCN(C5=O)C6CC6 −11.0 ± 0.3
815 EN300-702756_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CS(=O)(=O)CC(=O)N5 −11.0 ± 0.2
816 ED_-GRI-5b13fbe2-38_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCC[N@@H+]5CCn6c(c(cn6)C[NH3+])C5 −11.0 ± 0.5
817 EN300-1600786_3_1_1 molecule Cn1cc(nn1)CCOCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.0 ± 0.3
818 EN300-366687_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCc6nncn6CC5 −11.0 ± 0.2
819 EN300-262604_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cn5cnc(n5)C(=O)N −11.0 ± 0.3
820 EN300-236175_1_1_1 molecule Cn1cc(c(=O)cc1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)OC −11.0 ± 0.3
821 EN300-746311_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5c[nH]c6c5c(=O)[nH]cn6 −11.0 ± 0.2
822 EN300-10414_3_2_1 molecule C[C@]1(CCS(=O)(=O)C1)NC(=O)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.0 ± 0.4
823 EN300-216063_3_1_1 molecule CN(C)C(=O)COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.0 ± 0.2
824 EN300-216063_3_1_1 molecule CN(C)C(=O)COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.0 ± 0.2
825 EN300-216063_3_1_1 molecule CN(C)C(=O)COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.0 ± 0.2
826 EN300-247343_1_1_1 molecule CC1(CC(C1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −11.0 ± 0.2
827 EN300-55744_1_2_1 molecule CCCC[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)N −11.0 ± 0.4
828 EN300-370967_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCN5CCOC5=O −11.0 ± 0.3
829 EN300-370967_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCN5CCOC5=O −11.0 ± 0.3
830 EN300-316258_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)COCc5cc[nH]c(=O)c5 −11.0 ± 0.2
831 ED_-GRI-5b13fbe2-7_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCc5cn(nn5)C[C@H]6C[NH2+]CCO6 −11.0 ± 0.3
832 KAD-UNI-8a629cb0-17_2 molecule C[N@](C1CCN(CC1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)S(=O)(=O)C −11.0 ± 0.3
833 EN300-96159_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cc5[nH]ncn5 −11.0 ± 0.2
834 EN300-215465_1_1_1 molecule CCn1ncc(n1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.0 ± 0.2
835 EN300-6487407_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@@H]5[C@H](CC(=O)O5)O −10.9 ± 0.3
836 EN300-6487680_3_1_1 molecule Cc1nnn(n1)CC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.9 ± 0.3
837 EN300-697519_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CCOC5 −10.9 ± 0.3
838 EN300-249421_3_3_1 molecule C[C@@H]([C@H]1CCC(=O)N1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.9 ± 0.3
839 EN300-10414_1_2_1 molecule C[C@]1(CCS(=O)(=O)C1)NC(=O)CO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.9 ± 0.4
840 EDG-MED-90036822-94_2 molecule C[C@H]1C[C@@H]1[C@@H]([C@@H](C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)F)O −10.9 ± 0.2
841 EN300-132615_3_2_1 molecule C[C@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)S(=O)(=O)N −10.9 ± 0.3
842 EN300-332002_3_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CCc6n5c(=O)ccc6 −10.9 ± 0.4
843 EN300-7463171_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCCS(=O)(=O)CCO −10.9 ± 0.6
844 EN300-1212400_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@H](C[C@@H]5CO)CO −10.9 ± 0.3
845 EN300-2007627_1_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@@H](C[C@H](C5)CO)CO −10.9 ± 0.4
846 EN300-1600786_1_1_1 molecule Cn1cc(nn1)CCO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.9 ± 0.2
847 EN300-1600786_1_1_1 molecule Cn1cc(nn1)CCO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.9 ± 0.2
848 EN300-116092_3_1_1 molecule CCS(=O)(=O)NCCCOCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.9 ± 0.4
849 ALF-EVA-0b412456-8_1 molecule c1cc2cncc(c2cc1C3C[NH2+]C3)NC(=O)Cc4cc(cc(c4)Cl)O[C@@H]5CC(=O)N5 −10.9 ± 0.4
850 EN300-6482296_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CO[C@@H]6[C@@H]5COC6 −10.9 ± 0.3
851 EN300-185727_1_1_1 molecule Cn1c2c(nn1)C[C@@H](CC2)C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −10.9 ± 0.3
852 EN300-51801_1_2_1 molecule CCC[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)C −10.9 ± 0.3
853 EN300-09334_1_1_1 molecule CCCn1c(=O)ccc(n1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.9 ± 0.3
854 DAR-DIA-5ff57136-18_1 molecule c1ccc2c(c1)cncc2N(C(=O)[C@@H]3CCOc4c3cc(cc4)Cl)N=C=S −10.9 ± 0.1
855 EN300-185398_1_2_1 molecule C[C@H](C(C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)(F)F)O −10.9 ± 0.2
856 EN300-116234_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCCO5 −10.9 ± 0.2
857 EN300-66764_1_3_1 molecule COC(=O)[C@@H]1C[C@H]1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.9 ± 0.2
858 EN300-134855_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H](c5cccnc5)O −10.9 ± 0.2
859 JOH-SUS-a69c159d-6_1 molecule c1ccc2c(c1)c(c(nc2F)F)NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl −10.93 ± 0.06
860 DAR-DIA-23e5a6a0-8_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4C[C@@H]5CC6([NH2+]5)COC6)Cl −10.9 ± 0.3
861 EN300-191495_3_1_1 molecule CS(=O)(=O)C1(CC1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.9 ± 0.4
862 EN300-6277108_1_2_1 molecule CO[C@H]([C@@H]1CCCO1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.9 ± 0.2
863 EN300-7436306_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@@H]5[C@H]6COC[C@H]6ON5 −10.9 ± 0.3
864 EN300-160080_3_1_1 molecule CS(=O)(=O)c1nnc(s1)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.9 ± 0.3
865 EN300-85849_3_1_1 molecule CC(C)(C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NS(=O)(=O)C −10.9 ± 0.3
866 EN300-198240_3_1_1 molecule Cn1cc(cn1)[C@@H](C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)OC −10.9 ± 0.4
867 EN300-155362_3_1_1 molecule C[C@@H]1CC(=O)N[C@@H]1C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.9 ± 0.3
868 EN300-175186_3_1_1 molecule C[C@@H](CO)OCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.9 ± 0.3
869 EN300-109540_1_2_1 molecule C[C@H](c1cn(nn1)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −10.9 ± 0.3
870 VLA-UCB-50c39ae8-1_1_1 molecule CC(=O)N(c1cncc2c1cccc2)C(=O)[C@@H]3CCOc4c3cc(cc4)Cl −10.9 ± 0.1
871 KAD-UNI-8a629cb0-13_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CN5CCN(C5=O)C6CC6 −10.9 ± 0.3
872 EN300-7457159_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCc5cc(on5)C6(COC6)O −10.9 ± 0.4
873 EN300-297872_1_1_1 molecule COCCCn1c(=O)ccc(n1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.9 ± 0.3
874 EN300-248982_1_1_1 molecule Cn1c(cc(n1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C#N −10.9 ± 0.2
875 EN300-6762327_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H](Cc5ccccn5)O −10.9 ± 0.3
876 EN300-1722017_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5(CC5)n6nccn6 −10.9 ± 0.3
877 EN300-315836_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5[nH]ccn5 −10.9 ± 0.2
878 EN300-315836_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5[nH]ccn5 −10.9 ± 0.2
879 EN300-124918_3_1_2 molecule CN1C(=O)N[C@H]([NH2+]1)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.9 ± 0.4
880 EN300-195756_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@@H]5CCC(=O)N5 −10.9 ± 0.3
881 ED_-GRI-5b13fbe2-5_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@@H](c5n[n-]nn5)[NH3+] −10.9 ± 0.3
882 EN300-7426383_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5c6c(ccn5)n[nH]n6 −10.9 ± 0.2
883 EN300-210084_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@@H]5CCCC(=O)N5 −10.9 ± 0.2
884 EDG-MED-90036822-19_1 molecule Cn1ccnc1[C@@H](C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)F −10.9 ± 0.3
885 VLA-UCB-50c39ae8-8_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4O[C@H]5CC(=O)N5)Cl −10.9 ± 0.2
886 EN300-6734171_3_1_1 molecule C[C@@]1(CCC(=O)N(C1)C)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.9 ± 0.4
887 EDG-MED-90036822-35_2 molecule c1cc2c(c(cnc2)NC(=O)[C@]3(c4c(ccc(c4)Cl)OCC3)NC(=O)[C@H](F)[C@H]5C[C@H](C5)[NH3+])cc1 −10.9 ± 0.3
888 EN300-159633_3_1_1 molecule C[C@@](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)(C(F)(F)F)O −10.9 ± 0.3
889 EN300-17161_1_1_1 molecule CCOC(=O)CCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.9 ± 0.3
890 ADA-UCB-dc2b944c-18_1 molecule c1ccc2c(c1)cncc2NC(=O)N(c3cccc(c3)Cl)C(=O)CC4CCOCC4 −10.9 ± 0.3
891 EN300-6746918_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5CC(C5)(CO)F −10.9 ± 0.3
892 EN300-755161_1_1_1 molecule Cn1ncc(n1)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.9 ± 0.2
893 EN300-657320_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CSCC(=O)N5 −10.9 ± 0.2
894 EN300-125140_3_1_1 molecule COCC(=O)COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.9 ± 0.3
895 EN300-40947_1_1_1 molecule C[C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)S(=O)(=O)C(C)C −10.9 ± 0.3
896 EN300-6494474_1_1_1 molecule Cn1cnnc1CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.9 ± 0.3
897 EN300-6495717_1_1_1 molecule C[C@@H]1CC(CN1C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)(CO)CO −10.9 ± 0.3
898 EN300-82179_4_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)CC(=O)N −10.9 ± 0.3
899 EN300-10895_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)NCCC#N −10.9 ± 0.3
900 EN300-157776_1_3_1 molecule C[C@@H]1CN(C[C@H](O1)CO)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.9 ± 0.4
Last updated 2021-02-17T18:02:40.003401+00:00
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