Microstates

Showing 4601 through 4700 of 6099
Rank Microstate SMILES ΔG / kcal M-1
4601 EN300-173536_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC[C@H]5CCS5(=O)=O −5.5 ± 0.4
4602 EN300-7440263_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@H]5CCn6c(ncn6)C5 −5.5 ± 0.2
4603 JAG-UCB-706446eb-8_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)Cc5cccc(c5)C[NH3+] −5.5 ± 0.2
4604 EN300-252044_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@@H]5C[C@H]5[NH+]6CCOCC6 −5.5 ± 0.3
4605 EN300-1644723_4_5 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@@H]5[C@@H]6[C@H]5COCC6 −5.5 ± 0.3
4606 EN300-103638_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CN5CCCOC5=O −5.5 ± 0.3
4607 EN300-1110375_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)Nc5cnn(c5)[C@@H]6CCNC6=O −5.5 ± 0.3
4608 EN300-305294_2_5 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5C[C@H]6C[C@@H]([C@H]6C5)O −5.5 ± 0.3
4609 EN300-36089_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CNC(=O)c5ccncc5 −5.5 ± 0.3
4610 EN300-309457_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C5C[NH+](C5)[C@@H]6CCOC6 −5.5 ± 0.3
4611 EN300-186536_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C5(CCCCC5)n6cnnn6 −5.5 ± 0.4
4612 EN300-1215738_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CC[C@@H]5CCC(=O)NC5 −5.5 ± 0.3
4613 EN300-53918_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)CCN5CCOC5=O −5.5 ± 0.3
4614 EN300-122849_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCOC[C@H]5c6ncon6 −5.5 ± 0.3
4615 EN300-133058_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)c5ccc6c(n5)n[nH]n6 −5.5 ± 0.3
4616 EN300-7355777_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCc5ncc(s5)C(=O)N −5.5 ± 0.2
4617 EN300-108422_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[NH+](CC5)CC(=O)N −5.5 ± 0.4
4618 EN300-108422_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[NH+](CC5)CC(=O)N −5.5 ± 0.4
4619 EN300-108422_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[NH+](CC5)CC(=O)N −5.5 ± 0.4
4620 EN300-219496_1_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCC[N@](C5)S(=O)(=O)N −5.5 ± 0.6
4621 EN300-1605058_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC5CC(=O)NC(=O)C5 −5.5 ± 0.2
4622 EN300-186943_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CN5CCOCC5=O −5.5 ± 0.2
4623 EN300-185751_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)Cc5cncnc5 −5.5 ± 0.2
4624 EN300-185751_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)Cc5cncnc5 −5.5 ± 0.2
4625 EN300-333078_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@@H](Cc5cnc[nH]5)CO −5.5 ± 0.3
4626 EN300-14006_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C[C@@H]5CCS(=O)(=O)C5 −5.5 ± 0.4
4627 EN300-1604607_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)C56CC(C5)OC6 −5.5 ± 0.2
4628 EN300-87536_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@@H]5CCCN5C(=O)N −5.5 ± 0.3
4629 EN300-131572_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)c5cnn6c5cncc6 −5.5 ± 0.3
4630 DAR-DIA-0d514e7d-22_1 molecule C[C@H]1COc2c(cc(cc2N3CC[NH+](CC3)C)Cl)[C@@H]1C(=O)Nc4cncc5c4cccc5 −5.5 ± 0.3
4631 EN300-1704404_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]5CNC(=O)CC56CCC6 −5.5 ± 0.3
4632 VLA-UCB-34f3ed0c-19_1 molecule c1ccc2c(c1)cncc2N(C(=O)c3ccco3)C(=O)[C@@H]4CCOc5c4cc(cc5)Cl −5.5 ± 0.2
4633 EN300-313440_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5C[NH+](C5)C6CCOCC6 −5.5 ± 0.3
4634 MAT-POS-11b63608-1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4)Br −5.48 ± 0.06
4635 EN300-6482296_4_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@H]5CO[C@@H]6[C@@H]5COC6 −5.5 ± 0.2
4636 EN300-7444121_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5C[C@H]([C@H](C56CCC6)O)O −5.5 ± 0.3
4637 EN300-378044_4_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@H]5CC=CCO5 −5.5 ± 0.2
4638 EN300-268196_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C5(CC5)[NH+]6CCOCC6 −5.5 ± 0.4
4639 EN300-7547467_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@H]5CCN(C5=O)c6ccn[nH]6 −5.5 ± 0.2
4640 EN300-383824_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cc6c([nH]c5=O)CCOC6 −5.5 ± 0.3
4641 EN300-267089_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5[C@@H](CC[C@H]5CO)CO −5.5 ± 0.4
4642 EN300-6762327_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@@H](Cc5ccccn5)O −5.5 ± 0.3
4643 EN300-69368_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)C5(CCOCC5)O −5.5 ± 0.3
4644 EN300-52212_2_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@H]5CCC[N@H+](C5)CC(=O)N −5.5 ± 0.4
4645 EN300-65063_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCCN(CC5)C(=O)N −5.5 ± 0.2
4646 EN300-220676_4_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)C[C@H]5CCCS(=O)(=O)C5 −5.5 ± 0.3
4647 EN300-270328_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCCCn5cncn5 −5.5 ± 0.2
4648 EN300-270328_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCCCn5cncn5 −5.5 ± 0.2
4649 EN300-270328_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCCCn5cncn5 −5.5 ± 0.2
4650 EN300-62166_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCCC[C@H]5CNC(=O)N −5.5 ± 0.3
4651 EN300-6479181_2_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H]5CC[C@H]6N5C(=O)CC6 −5.5 ± 0.3
4652 EN300-80083_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]5CCCCC(=O)N5 −5.5 ± 0.2
4653 EN300-203306_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCC(CC5)(C(=O)N)O −5.5 ± 0.4
4654 EN300-821316_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC6(C5)CC(=O)NC[C@H]6O −5.5 ± 0.3
4655 EN300-105873_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCCn5ccccc5=O −5.5 ± 0.3
4656 EN300-86732_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CCNC(=O)[C@@H]5CCCO5 −5.5 ± 0.3
4657 EN300-104029_2_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC[C@H]6[C@@H](C5)C(=O)NC6=O −5.5 ± 0.3
4658 EN300-1212491_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCC[C@@H]5CCS(=O)(=O)C5 −5.5 ± 0.3
4659 EN300-755040_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCCCn5ccc(=O)[nH]c5=O −5.5 ± 0.3
4660 EN300-367589_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCC(=O)NCC56COC6 −5.5 ± 0.4
4661 JOH-SUS-a69c159d-2_2 molecule c1ccc2c(c1)c(cnc2F)NC(=O)[C@H]3CCOc4c3cc(cc4)Cl −5.5 ± 0.2
4662 EN300-248618_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)CS(=O)(=O)C5CC5 −5.5 ± 0.3
4663 EN300-1268016_1_12 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@H]5C[C@H]6[C@H]5C[C@@H](C6)C(=O)N −5.5 ± 0.3
4664 EN300-175160_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC[C@@H](C(F)F)O −5.4 ± 0.3
4665 EN300-175160_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC[C@@H](C(F)F)O −5.4 ± 0.3
4666 EN300-1425963_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@@H]5CC[C@H]5[NH+]6CCOCC6 −5.4 ± 0.3
4667 EN300-98447_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H](CC(=O)N)C5CCOCC5 −5.4 ± 0.4
4668 EN300-05620_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CCCNC(=O)N −5.4 ± 0.3
4669 EN300-205779_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCC[C@@H]5CCC(=O)N5 −5.4 ± 0.3
4670 EN300-98802_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC[C@@H](C5)OCC(=O)N −5.4 ± 0.3
4671 DAR-DIA-0d514e7d-10_1 molecule C[C@H]1COc2c(cc(cc2Nc3cnn(c3)C)Cl)[C@@H]1C(=O)Nc4cncc5c4cccc5 −5.4 ± 0.2
4672 EN300-95639_2_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC[C@H]([C@@H](C5)O)CO −5.4 ± 0.3
4673 EN300-208959_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CNC(=O)C[C@H]5C(F)(F)F −5.4 ± 0.2
4674 EN300-67023_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CS(=O)(=O)C[C@H]5CCCO5 −5.4 ± 0.5
4675 EN300-345754_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCOC[C@H]5CCO −5.4 ± 0.3
4676 EN300-345754_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCOC[C@H]5CCO −5.4 ± 0.3
4677 EN300-245318_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCN(C5)C(=O)C6CC6 −5.4 ± 0.2
4678 EN300-62448_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)CNC(=O)C5CCC5 −5.4 ± 0.3
4679 EN300-20980_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)Cn5cnnn5 −5.4 ± 0.3
4680 EN300-19900_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)c5cnccn5 −5.4 ± 0.2
4681 EN300-298807_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCc5[nH]c(=O)cc(n5)[O-] −5.4 ± 0.3
4682 EN300-91886_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H](C5CC5)[NH+]6CCOCC6 −5.4 ± 0.4
4683 EN300-1662365_4_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@H]5CCc6ncnn6C5 −5.4 ± 0.2
4684 EN300-226334_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5CCC[N@@H+](C5)CCCO −5.4 ± 0.3
4685 EN300-106781_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CCn5ccc(=O)[nH]c5=O −5.4 ± 0.3
4686 EN300-192893_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)c5ccn6c(c5)ncn6 −5.4 ± 0.3
4687 EN300-40048_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCN(CC5)CCC#N −5.4 ± 0.4
4688 EN300-120255_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@@]5(CCCOC5)C(=O)N −5.4 ± 0.3
4689 EN300-83864_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C5CCC(CC5)S(=O)(=O)N −5.4 ± 0.3
4690 EN300-157541_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCS(=O)(=O)C[C@@H]5CO −5.4 ± 0.4
4691 EN300-1425677_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@]5(CCCO5)CO −5.4 ± 0.4
4692 EN300-208236_4_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@H]5CCCc6c5n[nH]n6 −5.4 ± 0.3
4693 EN300-1723565_2_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@@H](C[C@H]5CCOC5)CO −5.4 ± 0.3
4694 EN300-249899_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5c6ncccn6cn5 −5.4 ± 0.2
4695 EN300-6488240_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)Cc5nncs5 −5.4 ± 0.2
4696 EN300-6489145_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCNS(=O)(=O)CC5 −5.4 ± 0.4
4697 EN300-249764_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@@H](C5CCC5)O −5.4 ± 0.2
4698 EN300-13287_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)Cn5ccc(=O)[nH]c5=O −5.4 ± 0.3
4699 EN300-731622_4_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)C[C@@H]5COCCO5 −5.4 ± 0.2
4700 EN300-657410_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@@H](CO)c5[nH]ccn5 −5.4 ± 0.4
Last updated 2020-12-08T20:22:29.488528+00:00
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