Microstates

Showing 801 through 900 of 6099
Rank Microstate SMILES ΔG / kcal M-1
801 EN300-1706036_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC[C@@H]5C(=O)NCCO5 −8.4 ± 0.2
802 EN300-1968342_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC[C@H](CF)O −8.4 ± 0.3
803 EN300-1968342_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC[C@H](CF)O −8.4 ± 0.3
804 EN300-1699871_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC[C@H]5CCS(=O)(=O)N5 −8.4 ± 0.3
805 EN300-82037_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cc5ccon5 −8.4 ± 0.2
806 EN300-237561_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cn5c(=O)cccn5 −8.4 ± 0.3
807 EN300-13252_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCCCCNC(=O)N −8.4 ± 0.3
808 EN300-251396_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@@](C5)(CO)O −8.4 ± 0.3
809 EN300-7121836_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cn[nH]c5F −8.4 ± 0.2
810 EN300-85760_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCO5 −8.4 ± 0.2
811 EN300-7549555_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5coc(n5)CO −8.4 ± 0.2
812 EN300-28871_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CCn5ccnn5 −8.4 ± 0.3
813 EN300-28871_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CCn5ccnn5 −8.4 ± 0.3
814 EN300-100916_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cn5nccn5 −8.4 ± 0.2
815 EN300-783124_4_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@H]([C@@H]5CCOC5)F −8.4 ± 0.2
816 EN300-7355519_4_6 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)C[C@@H]5C[C@@H]6[C@H](O5)CCO6 −8.4 ± 0.3
817 EN300-80083_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCCCC(=O)N5 −8.4 ± 0.2
818 EN300-152337_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCC(=O)NCC5 −8.4 ± 0.2
819 EN300-7354033_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C56CC(C5)S(=O)(=O)C6 −8.4 ± 0.2
820 EN300-270710_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCCS(=O)(=O)N −8.4 ± 0.3
821 EN300-116238_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)Nc5c(n[nH]n5)C(=O)N −8.4 ± 0.2
822 EN300-748981_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CCCn6c5nnc6 −8.4 ± 0.3
823 EN300-80522_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)COC[C@@H]5CCOC5 −8.4 ± 0.2
824 EN300-262599_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@H]6COC(=O)N[C@@H]6C5 −8.4 ± 0.3
825 EN300-1083988_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCNC(=O)C(C5)(F)F −8.4 ± 0.3
826 EN300-52009_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5(CCC5)O −8.4 ± 0.2
827 EN300-41863_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5c[nH]nc5 −8.4 ± 0.2
828 EN300-262409_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccc(cn5)n6cnnn6 −8.4 ± 0.2
829 EN300-122340_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5(CCSCC5)O −8.4 ± 0.3
830 EN300-341337_3_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@]56CCO[C@H]5CCOC6 −8.4 ± 0.3
831 EN300-39305_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CN5CCS(=O)(=O)CC5 −8.4 ± 0.3
832 EN300-20496_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CO[C@@H]5CCOC5=O −8.4 ± 0.2
833 EN300-5309123_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccnc(c5)Cn6cnnc6 −8.4 ± 0.3
834 EN300-109535_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@@H]5CC(=O)OC5 −8.4 ± 0.2
835 EN300-10170_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H](CO)NC(=O)N −8.4 ± 0.3
836 EN300-36096_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CN5CCCNC5=O −8.4 ± 0.3
837 EN300-91609_1_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCO[C@H]6[C@@H]5C6 −8.4 ± 0.2
838 EN300-6745453_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5Cc6nncn6C5 −8.4 ± 0.2
839 EN300-45182_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CCCN5CCOC5=O −8.4 ± 0.3
840 EN300-19926_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CC#N −8.4 ± 0.2
841 MAK-UNK-8be7dca9-1_1 molecule c1cc2c(cc1CN3CC[NH2+]CC3)cncc2NC(=O)[C@@H]4CCOc5c4cc(cc5)Cl −8.4 ± 0.1
842 EN300-37077_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccn[nH]5 −8.4 ± 0.2
843 DAR-DIA-0d514e7d-18_1 molecule C[C@H]1COc2c(cc(cc2OC(F)(F)F)Cl)[C@@H]1C(=O)Nc3cncc4c3cccc4 −8.4 ± 0.1
844 EN300-1717166_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CC56CC(C6)O −8.4 ± 0.2
845 EN300-45049_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCS(=O)(=O)N5 −8.4 ± 0.3
846 EN300-6487134_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CC56CC(C5)C(=O)NC6 −8.4 ± 0.2
847 EN300-35778_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5CCC(CC5)C(=O)N −8.4 ± 0.2
848 EN300-305294_1_7 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@H]6C[C@H]([C@H]6C5)O −8.4 ± 0.2
849 EN300-68203_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C[C@@H]5CCC(=O)N5 −8.4 ± 0.3
850 EN300-7355519_1_7 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@H]5C[C@H]6[C@H](O5)CCO6 −8.4 ± 0.2
851 EN300-35778_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5CCC(CC5)C(=O)N −8.4 ± 0.3
852 EN300-27476_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5c(=O)n6ccccc6n5 −8.4 ± 0.3
853 JAG-UCB-706446eb-7_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5CCCOC5 −8.4 ± 0.2
854 EN300-113564_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccnc6n5ncc6C(=O)N −8.4 ± 0.3
855 EN300-68747_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5(CCC5)C(=O)N −8.4 ± 0.3
856 EN300-226314_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)[C@H]5CCS(=O)(=O)C5 −8.4 ± 0.3
857 EN300-260152_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cc5cnns5 −8.4 ± 0.2
858 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 −8.4 ± 0.3
859 EN300-318305_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5CC6(C5)CS(=O)(=O)C6 −8.4 ± 0.2
860 EN300-1072874_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCCNC(=O)CC5 −8.4 ± 0.3
861 EN300-6494158_3_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@@H]5C[C@H](CO5)CO −8.4 ± 0.3
862 EN300-80083_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CCCCC(=O)N5 −8.4 ± 0.3
863 EN300-7430501_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CCn6c(cnn6)C5 −8.4 ± 0.3
864 EN300-7430501_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CCn6c(cnn6)C5 −8.4 ± 0.3
865 EN300-6255179_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCn5cncn5 −8.4 ± 0.2
866 EN300-6255179_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCn5cncn5 −8.4 ± 0.2
867 EN300-104592_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CC[C@@H]5CCC(=O)N5 −8.4 ± 0.3
868 EN300-111863_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cn5cnc(n5)C#N −8.3 ± 0.3
869 EN300-134855_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H](c5cccnc5)O −8.3 ± 0.2
870 EN300-741926_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@H]([C@H](C5)F)O −8.3 ± 0.2
871 EN300-1911992_4_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOC[C@H]([C@H]5CCOC5)O −8.3 ± 0.3
872 EN300-104592_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CC[C@H]5CCC(=O)N5 −8.3 ± 0.3
873 EN300-70133_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)Nc5c(cnn5CCO)C#N −8.3 ± 0.3
874 EN300-2007627_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@H](C[C@@H](C5)CO)CO −8.3 ± 0.3
875 EN300-249899_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5c6ncccn6cn5 −8.3 ± 0.2
876 EN300-7463176_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cnn6c5c(=O)[nH]cc6 −8.3 ± 0.3
877 EN300-31102_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5CCN(CC5)S(=O)(=O)N −8.3 ± 0.4
878 EN300-104395_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CCCO5 −8.3 ± 0.2
879 EN300-2011576_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5Cc6c(nccn6)C5 −8.3 ± 0.2
880 EN300-108171_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC5COCCOC5 −8.3 ± 0.3
881 EN300-2666483_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cncc(n5)n6cccn6 −8.3 ± 0.2
882 EN300-120920_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CO[C@@H]5CCC(=O)NC5=O −8.3 ± 0.2
883 EN300-28871_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCn5ccnn5 −8.3 ± 0.2
884 EN300-28871_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCn5ccnn5 −8.3 ± 0.2
885 EN300-92031_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCc5nc(no5)c6[nH]ncn6 −8.3 ± 0.2
886 EN300-246486_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5coc(=O)[nH]5 −8.3 ± 0.2
887 EN300-113234_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CC(=O)OC5 −8.3 ± 0.2
888 EN300-221518_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCCCO −8.3 ± 0.2
889 EN300-221518_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCCCO −8.3 ± 0.2
890 EN300-221518_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCCCO −8.3 ± 0.2
891 EN300-99391_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CO[C@@H]5CCOC5 −8.3 ± 0.2
892 EN300-188356_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@]5(CCOC5)F −8.3 ± 0.2
893 EN300-314274_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cncc6c5CCNC6=O −8.3 ± 0.3
894 EN300-212381_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC[C@@H]5CCCN(C5)C(=O)N −8.3 ± 0.3
895 EN300-249804_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CCOC(=O)N5 −8.3 ± 0.3
896 EN300-6953121_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5C[C@@H]5F −8.3 ± 0.2
897 EN300-42252_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cn6cccnc6[nH+]5 −8.3 ± 0.2
898 EN300-1178005_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)c5cc(on5)C#N −8.3 ± 0.2
899 EN300-131132_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)Nc5cn[nH]n5 −8.3 ± 0.2
900 EN300-1653482_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CCn6c(nnn6)C5 −8.3 ± 0.3
Last updated 2020-12-09T19:38:12.118034+00:00
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