Microstates

Showing 601 through 700 of 6099
Rank Microstate SMILES ΔG / kcal M-1
601 EN300-11714_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5ccccc5=O −8.6 ± 0.2
602 EN300-4698402_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5C[C@@H]5F −8.6 ± 0.2
603 EN300-1704404_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CNC(=O)CC56CCC6 −8.6 ± 0.3
604 EN300-18249_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)N −8.6 ± 0.2
605 EN300-123712_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cccc(n5)n6cncn6 −8.6 ± 0.2
606 EN300-22879_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)N5CCCC[C@@H]5C(=O)N −8.6 ± 0.3
607 EN300-36158_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5COCCO5 −8.6 ± 0.2
608 EN300-6482296_1_8 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CO[C@@H]6[C@H]5COC6 −8.6 ± 0.3
609 EN300-1723663_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCN(C(=O)C5)CCO −8.6 ± 0.3
610 EN300-6479181_3_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CC[C@H]6N5C(=O)CC6 −8.6 ± 0.3
611 EN300-10170_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H](CO)NC(=O)N −8.6 ± 0.3
612 EN300-7355519_1_6 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@@H]5C[C@@H]6[C@H](O5)CCO6 −8.6 ± 0.2
613 EN300-7385329_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5Cc6[nH+]ccn6C5 −8.6 ± 0.2
614 EN300-1715993_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCn5ccnn5 −8.6 ± 0.2
615 EN300-69070_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5(CC5)C(=O)N −8.6 ± 0.2
616 EN300-53423_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCOC5 −8.6 ± 0.2
617 EN300-2910941_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cn5cc(nn5)C(F)(F)F −8.6 ± 0.3
618 EN300-186943_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CN5CCOCC5=O −8.6 ± 0.3
619 EN300-154942_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5OCCO5 −8.6 ± 0.2
620 EN300-6474341_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCn6cnnc6C5 −8.6 ± 0.3
621 EN300-139167_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@@H]5COCCO5 −8.6 ± 0.2
622 EN300-139167_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@@H]5COCCO5 −8.6 ± 0.2
623 EN300-139167_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@@H]5COCCO5 −8.6 ± 0.2
624 EN300-6494158_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC[C@H]5C[C@@H](CO5)CO −8.6 ± 0.2
625 EN300-1719075_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@@](C6(C5)COC6)(CO)F −8.6 ± 0.3
626 EN300-65063_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCCN(CC5)C(=O)N −8.6 ± 0.3
627 EN300-7463171_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCS(=O)(=O)CCO −8.6 ± 0.4
628 EN300-1644723_3_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5[C@H]6[C@@H]5COCC6 −8.6 ± 0.2
629 EN300-310888_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCc5nnc6n5CCOCC6 −8.6 ± 0.2
630 EN300-704039_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@H]5C[C@@H](C56CCOCC6)O −8.6 ± 0.3
631 EN300-146051_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccc(nc5)CO −8.6 ± 0.2
632 EN300-7459540_1_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@@H]5[C@H](CO)O −8.6 ± 0.4
633 EN300-741926_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC[C@H]([C@H](C5)F)O −8.6 ± 0.3
634 EN300-06030_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccc(cc5)n6cnnn6 −8.6 ± 0.2
635 JOH-SUS-a69c159d-7_1 molecule c1cc2c(cc1F)c(c(nc2F)F)NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl −8.60 ± 0.09
636 EN300-203293_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC[C@H]5CNC(=O)O5 −8.6 ± 0.2
637 EN300-1662365_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCc6ncnn6C5 −8.6 ± 0.2
638 EN300-91314_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cn(nn5)Cc6cccnc6 −8.6 ± 0.2
639 EN300-1590388_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5cc(cn5)C#N −8.6 ± 0.2
640 EN300-7353672_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@H]([C@H](CC5)O)CO −8.6 ± 0.3
641 EN300-6489145_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCNS(=O)(=O)CC5 −8.6 ± 0.3
642 EN300-100467_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cn5ccnn5 −8.6 ± 0.2
643 EN300-364612_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@H]6[C@H]5C(=O)NCCO6 −8.6 ± 0.3
644 EN300-10334_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@]56CCC(=O)N5CCS6 −8.6 ± 0.2
645 EN300-83527_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc6ncccn6n5 −8.6 ± 0.2
646 EN300-6238494_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC(=O)[C@H]5COCCO5 −8.6 ± 0.2
647 EN300-18610_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@H](C5)C(=O)N −8.6 ± 0.3
648 EN300-13890_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CS[C@H]5CCS(=O)(=O)C5 −8.6 ± 0.3
649 EN300-139268_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C(=O)NCC(F)(F)F −8.6 ± 0.2
650 EN300-2910941_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5cc(nn5)C(F)(F)F −8.6 ± 0.2
651 EN300-36158_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5COCCO5 −8.6 ± 0.2
652 EN300-246747_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@@H]5CC(=O)NC5 −8.6 ± 0.2
653 EN300-6479181_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CC[C@@H]6N5C(=O)CC6 −8.6 ± 0.2
654 EN300-217416_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCCn6c5nnn6 −8.6 ± 0.3
655 EN300-205486_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cc5c[nH]ccc5=O −8.6 ± 0.3
656 EN300-97758_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CCF −8.6 ± 0.2
657 FRA-DIA-b66f7109-3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@H]3CCOc4c3cc(cc4Cl)O[C@H]5CC(=O)N5 −8.6 ± 0.2
658 EN300-109535_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@H]5CC(=O)OC5 −8.6 ± 0.2
659 EN300-23792_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc(sc5)S(=O)(=O)N −8.6 ± 0.3
660 EN300-1071940_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@]5(CCCOC5)O −8.6 ± 0.3
661 EN300-5253939_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5COC(=O)O5 −8.6 ± 0.2
662 EN300-6736413_4_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCO[C@@H]5CCNC5=O −8.6 ± 0.2
663 EN300-6736413_4_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCO[C@@H]5CCNC5=O −8.6 ± 0.2
664 EN300-156995_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CCCc5cn[nH]n5 −8.6 ± 0.3
665 EN300-120586_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC(=O)NCC(F)F −8.6 ± 0.2
666 EN300-22245_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccon5 −8.6 ± 0.2
667 EN300-26147_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCn5cncn5 −8.6 ± 0.2
668 EN300-6255179_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCCn5cncn5 −8.6 ± 0.2
669 EN300-6255179_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCCn5cncn5 −8.6 ± 0.2
670 EN300-19507_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C(F)F −8.6 ± 0.2
671 EN300-245265_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CCCn5cnc(n5)C#N −8.6 ± 0.3
672 EN300-77092_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC5OCCO5 −8.6 ± 0.2
673 EN300-107267_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)O[C@@H]5CCCNC5=O −8.6 ± 0.2
674 EN300-118045_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cnc([nH]c5=O)C6CC6 −8.6 ± 0.3
675 EN300-395654_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@@H](C6(C5)COC6)CO −8.6 ± 0.3
676 EN300-10334_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@]56CCC(=O)N5CCS6 −8.6 ± 0.3
677 EN300-94945_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CCNC5=O −8.6 ± 0.2
678 EN300-7434114_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC6(C5)[C@H](CCCO6)O −8.6 ± 0.2
679 EN300-188356_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@]5(CCOC5)F −8.6 ± 0.2
680 EN300-6482296_3_7 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CO[C@@H]6[C@H]5COC6 −8.6 ± 0.3
681 EN300-21258_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCCO −8.6 ± 0.2
682 EN300-153245_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@H](C[C@H]5CO)O −8.5 ± 0.3
683 EN300-306316_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCc5[nH]ncn5 −8.5 ± 0.2
684 EN300-246747_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@H]5CC(=O)NC5 −8.5 ± 0.2
685 EN300-214849_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)Nc5nnc6n5[nH]cn6 −8.5 ± 0.2
686 EN300-254105_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H](CO)[C@@H]5CCCOC5 −8.5 ± 0.3
687 EN300-97746_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@@H](CO)C5CCOCC5 −8.5 ± 0.3
688 EN300-139167_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@H]5COCCO5 −8.5 ± 0.2
689 EN300-139167_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@H]5COCCO5 −8.5 ± 0.2
690 EN300-139167_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@H]5COCCO5 −8.5 ± 0.2
691 EN300-1664603_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCc5ccn[nH]5 −8.5 ± 0.2
692 DAR-DIA-23e5a6a0-3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4O[C@@H]5CC6([NH2+]5)COC6)Cl −8.5 ± 0.4
693 EN300-222620_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cc5cc(cnc5)O −8.5 ± 0.2
694 EN300-314088_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@@H]([C@@H](C5)CO)CO −8.5 ± 0.3
695 EN300-120820_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cn5cn[nH]c5=O −8.5 ± 0.2
696 EN300-872798_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cn5c(nnn5)C6CC6 −8.5 ± 0.3
697 EN300-172179_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CN5CCOC5=O −8.5 ± 0.2
698 EN300-25702_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5(CC5)O −8.5 ± 0.2
699 EN300-6494859_1_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5C[C@@H](OC5)Cn6cccn6 −8.5 ± 0.3
700 EN300-182579_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5CN(C5)CC(F)F −8.5 ± 0.2
Last updated 2020-12-09T19:38:12.118034+00:00
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