Microstates

Showing 2701 through 2800 of 6099
Rank Microstate SMILES ΔG / kcal M-1
2701 EN300-1968342_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@H](CF)O −6.9 ± 0.2
2702 EN300-1968342_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@H](CF)O −6.9 ± 0.2
2703 EN300-94856_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCC5CC(C5)O −6.9 ± 0.2
2704 EN300-6474647_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCN6[C@@H](C5)CCNC6=O −6.9 ± 0.2
2705 EN300-6474647_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCN6[C@@H](C5)CCNC6=O −6.9 ± 0.2
2706 EN300-255498_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC6(C5)CS(=O)(=O)C6 −6.9 ± 0.3
2707 EN300-210553_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@@](C5)(C(=O)N)O −6.9 ± 0.3
2708 EN300-210553_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@@](C5)(C(=O)N)O −6.9 ± 0.3
2709 EN300-82181_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCC(=O)NCCO −6.9 ± 0.3
2710 EN300-6494158_4_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOC[C@H]5C[C@H](CO5)CO −6.9 ± 0.3
2711 EN300-318344_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)c5ncco5 −6.9 ± 0.2
2712 EN300-318344_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)c5ncco5 −6.9 ± 0.2
2713 EN300-52009_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)C5(CCC5)O −6.9 ± 0.2
2714 EN300-213215_1_6 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@H](C5)[N@@H+]6CC[C@H](C6)O −6.9 ± 0.3
2715 EN300-1702911_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC5CC(C5)NC(=O)N −6.9 ± 0.3
2716 EN300-05277_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CCC(=O)N5CCOCC5 −6.9 ± 0.3
2717 EN300-69993_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[N@@H+](CC5)CCO −6.9 ± 0.4
2718 EN300-154156_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC(=O)NC5 −6.9 ± 0.2
2719 EN300-7542483_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCC5COCCOC5 −6.9 ± 0.3
2720 EN300-368758_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cn(nn5)C[C@H]6CCCO6 −6.9 ± 0.3
2721 EN300-1425608_1_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@H]([C@@H](C5)CO)CCO −6.9 ± 0.2
2722 EN300-267219_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CC[C@@H](O5)C(=O)N6CCCC6 −6.9 ± 0.3
2723 EN300-1071940_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C[C@]5(CCCOC5)O −6.9 ± 0.3
2724 EN300-6503694_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCCCNS(=O)(=O)C(F)F −6.9 ± 0.4
2725 EN300-1215738_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CC[C@H]5CCC(=O)NC5 −6.9 ± 0.3
2726 EN300-67573_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)NC5CCOCC5 −6.9 ± 0.3
2727 EN300-92635_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5nc6ncc(cn6n5)CCO −6.9 ± 0.2
2728 EN300-6498726_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@H](CO)CF −6.9 ± 0.3
2729 EN300-746646_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cn6cc[nH]c(=O)c6[nH+]5 −6.9 ± 0.2
2730 EN300-226314_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)[C@H]5CCS(=O)(=O)C5 −6.9 ± 0.3
2731 EN300-203118_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC[C@@](C5)(CO)F −6.9 ± 0.4
2732 EN300-49064_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC5COC5 −6.9 ± 0.2
2733 EN300-1718675_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cnnn5C6CC6 −6.9 ± 0.3
2734 EN300-2010267_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC6(C5)CCC(=O)N6 −6.9 ± 0.3
2735 EN300-210933_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC[C@H]5CCN(C5)C(=O)N −6.9 ± 0.3
2736 EN300-123291_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC5CS(=O)(=O)C5 −6.9 ± 0.3
2737 EN300-7549555_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5coc(n5)CO −6.9 ± 0.3
2738 EN300-2009745_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC(=O)NC[C@H]5C(=O)N −6.9 ± 0.3
2739 EN300-7500408_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC[C@@]5(CCCOC5)CO −6.9 ± 0.3
2740 EN300-46832_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)NC[C@H]5CCOC5 −6.9 ± 0.3
2741 EN300-1653482_4_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@@H]5CCn6c(nnn6)C5 −6.9 ± 0.2
2742 EN300-783124_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]([C@@H]5CCOC5)F −6.9 ± 0.3
2743 EN300-1699332_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC(CC5)[C@H](CO)O −6.9 ± 0.3
2744 EN300-7537340_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@]5(CCC(=O)NC5=O)CO −6.9 ± 0.3
2745 EN300-151756_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cc6c(cn5)nc[nH]c6=O −6.9 ± 0.3
2746 EN300-1387104_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCS5(=O)=O −6.9 ± 0.2
2747 EN300-1265948_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC(=O)N5CCS(=O)(=O)CC5 −6.9 ± 0.3
2748 EN300-23792_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cc(sc5)S(=O)(=O)N −6.9 ± 0.3
2749 EN300-7438227_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C5(CCC5)CCS(=O)(=O)N −6.9 ± 0.5
2750 EN300-262136_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC(C5)[NH+]6CCC6 −6.9 ± 0.2
2751 EN300-169955_3_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5[C@@H](CC(=O)N5)C(F)(F)F −6.9 ± 0.3
2752 EN300-120586_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCC(=O)NCC(F)F −6.9 ± 0.2
2753 EN300-818709_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@H](C5)Cc6n[n-]nn6 −6.9 ± 0.3
2754 EN300-7430501_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCn6c(cnn6)C5 −6.9 ± 0.2
2755 EN300-7430501_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCn6c(cnn6)C5 −6.9 ± 0.2
2756 EN300-74200_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N(CCCO)CCO −6.9 ± 0.3
2757 EN300-64297_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cncnc5 −6.9 ± 0.2
2758 EN300-7537194_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5ccn6cnnc6c5 −6.9 ± 0.2
2759 EN300-7427115_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCc6c([nH]c(=O)[nH]c6=O)C5 −6.9 ± 0.3
2760 EN300-93074_2_1 molecule CN(C(=O)CC[C@@]1(c2c(ccc(c2)Cl)OCC1)C(=O)Nc3c4c(cnc3)cccc4)[C@H]5C[C@@H](C5)O −6.9 ± 0.3
2761 EN300-80083_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CCCCC(=O)N5 −6.9 ± 0.3
2762 EN300-6746631_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)c5nnc6n5CCCC6 −6.9 ± 0.3
2763 EN300-248521_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@H]([C@H](C5)O)CO −6.9 ± 0.3
2764 EN300-61086_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N([C@@H]5CC(=O)NC5=O)C6CC6 −6.9 ± 0.3
2765 EN300-151423_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)CC5(CCOCC5)O −6.9 ± 0.3
2766 EN300-59733_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC[C@@H]5CCNC(=O)C5 −6.9 ± 0.2
2767 EN300-7534935_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC6(C5)CCC(=O)O6 −6.9 ± 0.2
2768 EN300-20496_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)O[C@H]5CCOC5=O −6.9 ± 0.2
2769 EN300-298869_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC[C@@]5(CCOC5)OCCO −6.9 ± 0.3
2770 ALP-UNI-44c99a80-3_1 molecule c1ccc2c(c1)cncc2N(Cc3cnco3)C(=O)[C@@H]4CCOc5c4cc(cc5)Cl −6.9 ± 0.2
2771 EN300-171752_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@H]5CCOC5 −6.9 ± 0.2
2772 EN300-171752_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@H]5CCOC5 −6.9 ± 0.2
2773 EN300-43206_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[N@@]5CCCS5(=O)=O −6.9 ± 0.3
2774 EN300-130656_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cccc(n5)C(=O)N −6.9 ± 0.2
2775 EN300-42007_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[N@@H+](CC5)CC(=O)N −6.9 ± 0.3
2776 EN300-59487_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@@H]5CC(=O)NC5 −6.9 ± 0.2
2777 EN300-253187_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC[C@H]5COCO5 −6.9 ± 0.3
2778 EN300-1627945_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CO[C@H]5CCCOC5 −6.9 ± 0.3
2779 EN300-7355519_3_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C[C@H]5C[C@H]6[C@@H](O5)CCO6 −6.9 ± 0.3
2780 EN300-1074262_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cccn6c5cnn6 −6.9 ± 0.3
2781 EN300-146051_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5ccc(nc5)CO −6.9 ± 0.3
2782 EN300-378343_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC=C[C@@H]5CO −6.9 ± 0.3
2783 EN300-6488240_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)Cc5nncs5 −6.9 ± 0.2
2784 EN300-1452069_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H](CC5CCOCC5)O −6.9 ± 0.4
2785 EN300-1272295_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC(C5)[N@]6CCCS6(=O)=O −6.9 ± 0.3
2786 EN300-6740040_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCCNS(=O)(=O)N −6.9 ± 0.6
2787 EN300-383904_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CCNC(=O)CO −6.9 ± 0.3
2788 MAK-UNK-8be7dca9-3_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@H]3c4cc(ccc4OC[C@@H]3C[NH3+])Cl −6.9 ± 0.1
2789 DAR-DIA-23e5a6a0-9_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4C[C@@H]5CC6(CC6)C[NH2+]5)Cl −6.9 ± 0.4
2790 EN300-269863_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccnc6c5CC(=O)N6 −6.9 ± 0.2
2791 EN300-1440100_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC5CC6(C5)CC(=O)NC6 −6.9 ± 0.3
2792 EN300-172481_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@](C5)(C(=O)N)O −6.9 ± 0.3
2793 EN300-7426383_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5c6c(ccn5)n[nH]n6 −6.9 ± 0.3
2794 EN300-103219_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]5CC(=O)N5 −6.9 ± 0.2
2795 EN300-321558_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCO[C@@H](C5)CC(=O)N −6.9 ± 0.2
2796 EN300-6474341_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CCn6cnnc6C5 −6.9 ± 0.2
2797 EN300-6499164_1_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC(=O)N[C@@H]6[C@@H]5CC6 −6.9 ± 0.3
2798 EN300-195173_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@@H]5c6n[n-]nn6 −6.9 ± 0.3
2799 EN300-127487_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5CC(=O)NC5 −6.9 ± 0.2
2800 EN300-1273172_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cnc(cn5)C(=O)N −6.9 ± 0.2
Last updated 2020-12-09T19:38:12.118034+00:00
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