Microstates

Showing 3501 through 3600 of 11295
Rank Microstate SMILES ΔG / kcal M-1
3501 EN300-7444533_1_3 molecule C[C@@H]1C[C@H](C(=O)O1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.1 ± 0.2
3502 EN300-1708637_1_2 molecule C[C@H]([C@H]1CN(CCO1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −10.1 ± 0.3
3503 EN300-72272_2_1 molecule C[C@@H]([C@@H](C)O)NC(=O)CC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.1 ± 0.2
3504 EN300-33478_1_2 molecule CCN1C[C@H](CC1=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.1 ± 0.3
3505 EN300-208204_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H](CO)C(=O)N −10.1 ± 0.3
3506 EN300-325738_1_1 molecule CN1[C@@H](CCCC1=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.1 ± 0.3
3507 EN300-1608992_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@](C5)(C#N)C(=O)N −10.1 ± 0.2
3508 EN300-202922_1_3 molecule C[C@@H]([C@](C)(C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O)O −10.1 ± 0.2
3509 EN300-23214_3_2 molecule CCCNC(=O)[C@H](C)NC(=O)COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.1 ± 0.4
3510 EN300-29228_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCn6c(cnn6)C5 −10.1 ± 0.3
3511 EN300-310022_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5C[C@@H](CN5c6ccncn6)O −10.1 ± 0.4
3512 EN300-7439985_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC6(CC5C6)CO −10.1 ± 0.2
3513 DAR-DIA-23e5a6a0-1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4O[C@@H]5CCC6(N5)CCC6)Cl −10.1 ± 0.4
3514 EN300-1911992_3_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@@H]([C@H]5CCOC5)O −10.1 ± 0.3
3515 EN300-111006_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5ccncn5 −10.1 ± 0.2
3516 EN300-6477475_1_1 molecule COCc1cc(no1)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.1 ± 0.3
3517 EN300-365993_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@H]6CS(=O)(=O)C[C@@H]6C5 −10.1 ± 0.3
3518 EN300-37077_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccn[nH]5 −10.1 ± 0.2
3519 EN300-14458_2_1 molecule C[C@@H](C(=O)N(C)C)OC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.1 ± 0.3
3520 EN300-107267_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CO[C@H]5CCCNC5=O −10.1 ± 0.2
3521 EN300-378722_3_2 molecule CN1CC[C@H](C1=O)CC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.1 ± 0.3
3522 EN300-783124_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H]([C@@H]5CCOC5)F −10.1 ± 0.2
3523 EN300-158207_1_1 molecule Cc1nnc(o1)[C@H]2C[C@H](CN2C(=O)C[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6)O −10.1 ± 0.4
3524 EN300-188217_1_1 molecule CC(C)(CS(=O)(=O)C)C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.1 ± 0.3
3525 EN300-7457159_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCc5cc(on5)C6(COC6)O −10.1 ± 0.3
3526 EN300-94945_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H]5CCNC5=O −10.1 ± 0.2
3527 EN300-158067_1_1 molecule Cc1c(c(n(n1)C)n2cncn2)C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −10.1 ± 0.2
3528 EN300-75209_2_1 molecule C[C@@H](CS(=O)(=O)C)N(C)C(=O)CC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.1 ± 0.3
3529 EN300-2855057_1_2 molecule C[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)C(=O)N5CCOCC5 −10.1 ± 0.4
3530 EN300-2011083_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]5CCC(=O)OCC5 −10.1 ± 0.3
3531 EN300-3044054_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CCC(=O)N5C6CC6 −10.1 ± 0.3
3532 EN300-6478434_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC6(CC5)CNC(=O)[C@@H]6O −10.1 ± 0.4
3533 EN300-380827_1_1 molecule Cn1c(cnn1)C2(CN(C2)C(=O)C[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6)OC −10.1 ± 0.4
3534 EN300-702735_1_1 molecule c1ccc(cc1)c2nnnn2CC(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −10.1 ± 0.3
3535 EN300-325737_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5c6ccccn6nn5 −10.1 ± 0.2
3536 EN300-40947_1_2 molecule C[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)S(=O)(=O)C(C)C −10.1 ± 0.3
3537 EN300-31242_1_1 molecule COCC(=O)NCCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.1 ± 0.3
3538 EN300-7444533_2_3 molecule C[C@@H]1C[C@H](C(=O)O1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.1 ± 0.2
3539 EN300-12204_3_1 molecule CCCNC(=O)CN(C)C(=O)COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.1 ± 0.4
3540 EN300-1387104_4_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@H]5CCS5(=O)=O −10.1 ± 0.5
3541 EN300-66432_3_1 molecule CN(C)S(=O)(=O)CCCOCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.1 ± 0.4
3542 EN300-97300_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]5C[C@@H]5F −10.1 ± 0.2
3543 EN300-172640_2_3 molecule C[C@@H]1[C@H](NC(=O)O1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.1 ± 0.2
3544 EN300-321558_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCO[C@@H](C5)CC(=O)N −10.1 ± 0.4
3545 EN300-23019_2_1 molecule CC(C)(C)NC(=O)CN(C)C(=O)COC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.1 ± 0.3
3546 EN300-105110_1_1 molecule Cc1cc(n[nH]1)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.1 ± 0.3
3547 EN300-6744028_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CC6CC5[C@@H]([C@@H]6O)O −10.1 ± 0.3
3548 EN300-6766359_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H]5[C@H]6C[C@H]6C(=O)N5 −10.1 ± 0.3
3549 EN300-718785_1_2 molecule CCN1[C@H](CCC1=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.1 ± 0.2
3550 EN300-14395_1_1 molecule Cn1cc(cn1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.1 ± 0.2
3551 EN300-250593_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@@H]5CC(=O)N5 −10.1 ± 0.2
3552 EN300-393300_2_1 molecule C[C@@H](c1cn(nn1)C)NC(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.1 ± 0.3
3553 EN300-2008102_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@H]5CN6CC(O5)CCC6=O −10.1 ± 0.3
3554 EN300-7444316_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@H]([C@@H](C5)C(=O)N)C(=O)N −10.1 ± 0.4
3555 EN300-119126_3_1 molecule Cc1[nH]c(nn1)CC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.1 ± 0.4
3556 EN300-252961_2_4 molecule COC[C@H]1C[C@H](CN1C(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −10.1 ± 0.3
3557 EN300-75674_2_1 molecule Cc1c(non1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.1 ± 0.3
3558 MAK-UNK-8be7dca9-7_1 molecule c1cc2cncc(c2cc1C(=O)O)NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl −10.09 ± 0.08
3559 EN300-27268_3_1 molecule Cc1nc(on1)CCC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.1 ± 0.3
3560 EN300-45182_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CCCN5CCOC5=O −10.1 ± 0.3
3561 EN300-42195_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@H](C5)CNC(=O)N −10.1 ± 0.3
3562 EN300-39101_1_1 molecule CCOC(=O)N(C)CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.1 ± 0.3
3563 EN300-08063_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)N5CCC(CC5)C(=O)N −10.1 ± 0.3
3564 EN300-1425677_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@]5(CCCO5)CO −10.1 ± 0.3
3565 EN300-70522_1_1 molecule CS(=O)(=O)CCCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.1 ± 0.3
3566 EN300-6505003_3_3 molecule C[C@@H]1CC[C@H](C(=O)N1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.1 ± 0.4
3567 EN300-1644723_2_5 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]5[C@@H]6[C@H]5COCC6 −10.1 ± 0.3
3568 EN300-302058_3_1 molecule CON1CC[C@@H](C1=O)OCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.1 ± 0.3
3569 EN300-132624_2_1 molecule CCC(=O)CNC(=O)COC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.1 ± 0.4
3570 EN300-1273362_4_2 molecule C[C@]1(CN(C1=O)C)COCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.1 ± 0.4
3571 EN300-379533_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC(CC5)O −10.1 ± 0.2
3572 EN300-379533_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC(CC5)O −10.1 ± 0.2
3573 EN300-17381_1_2 molecule C[C@H](C(=O)N)O[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.1 ± 0.2
3574 EN300-17381_1_2 molecule C[C@H](C(=O)N)O[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.1 ± 0.2
3575 EN300-17381_1_2 molecule C[C@H](C(=O)N)O[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.1 ± 0.2
3576 EN300-315854_2_2 molecule C[C@]1(CCNC(=O)C1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.1 ± 0.2
3577 EN300-23792_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc(sc5)S(=O)(=O)N −10.1 ± 0.3
3578 EN300-11195_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCC(=O)N5CCC5 −10.1 ± 0.3
3579 EN300-79536_2_1 molecule C=CCN(CCO)C(=O)CC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.1 ± 0.2
3580 EN300-2923949_1_3 molecule c1ccc(cc1)[C@@H]([C@H](C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O)O −10.1 ± 0.4
3581 EN300-6478631_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CCCc6n5cnn6 −10.1 ± 0.4
3582 EN300-67573_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC(=O)NC5CCOCC5 −10.1 ± 0.3
3583 EN300-11835_1_2 molecule CC(C)C[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NS(=O)(=O)C −10.1 ± 0.5
3584 EN300-19242_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CO −10.1 ± 0.2
3585 EN300-129424_1_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5CC[C@H]5O −10.1 ± 0.3
3586 EN300-239219_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5nc(no5)c6cnccn6 −10.1 ± 0.2
3587 EN300-31099_4_1 molecule CCC(=O)NCC(=O)NCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.1 ± 0.4
3588 EN300-180575_2_1 molecule C[C@@H]1CCS(=O)(=O)CCN1C(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.1 ± 0.5
3589 EN300-173006_4_1 molecule C[C@@H](c1nnnn1C)OCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.1 ± 0.4
3590 EN300-141480_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@H]5CCCN(C5=O)CCO −10.1 ± 0.4
3591 EN300-106781_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CCn5ccc(=O)[nH]c5=O −10.1 ± 0.4
3592 EN300-395954_2_2 molecule C[C@]12CN(CCN1C(=O)OC2)C(=O)CC[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −10.1 ± 0.3
3593 EN300-263346_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5c(=O)n6c(n5)CCCC6 −10.1 ± 0.4
3594 EN300-1968342_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC[C@@H](CF)O −10.1 ± 0.3
3595 EN300-1968342_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC[C@@H](CF)O −10.1 ± 0.3
3596 EN300-151268_1_2 molecule C[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NS(=O)(=O)NC(C)C −10.1 ± 0.7
3597 EN300-6792206_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H](C5CCOCC5)O −10.1 ± 0.3
3598 EN300-325729_2_1 molecule COC[C@@H]1COCCN1C(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.1 ± 0.3
3599 EN300-188585_1_1 molecule CC1(CCS(=O)(=O)CC1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.1 ± 0.3
3600 JAG-UCB-706446eb-6_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)Nc5ccn[nH]5 −10.1 ± 0.2
Last updated 2021-02-11T07:27:27.453800+00:00
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