| Rank |
Microstate |
SMILES |
ΔG / kcal M-1 |
| 601 |
PET-UNK-aa57768f-3_1
|
|
C#CCN1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl |
−7.9
± 0.3
|
| 602 |
PET-UNK-aa57768f-3_1
|
|
C#CCN1C[C@]2(CCN(C2=O)c3c[nH+]cc4c3cccc4)c5cc(ccc5C1=O)Cl |
−7.9
± 0.3
|
| 603 |
EDJ-MED-98c0a822-1_1
|
|
CNC(=O)C1(CCC1)[N@@]2C[C@]3(CCN(C3=O)c4c[nH+]cc5c4cccc5)c6cc(ccc6S2(=O)=O)Cl |
−7.9
± 0.7
|
| 604 |
EDJ-MED-98c0a822-1_1
|
|
CNC(=O)C1(CCC1)[N@@]2C[C@]3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6S2(=O)=O)Cl |
−7.9
± 0.7
|
| 605 |
LUO-POS-e1dab717-18_2
|
|
CC1(C[C@]2(C[N@H+](Cc3c2cc(cc3)Cl)CC(=O)NC)C(=O)N1c4cncc5c4cccc5)C |
−7.9
± 0.3
|
| 606 |
LUO-POS-e1dab717-18_2
|
|
CC1(C[C@]2(C[N@H+](Cc3c2cc(cc3)Cl)CC(=O)NC)C(=O)N1c4c[nH+]cc5c4cccc5)C |
−7.9
± 0.3
|
| 607 |
PET-UNK-626a1084-3_1
|
|
c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC#N |
−7.9
± 0.2
|
| 608 |
EDJ-MED-40e596c8-3_2
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@H+](Cc5c4cc(cc5)Cl)CCNC(=O)C6CC6 |
−7.8
± 0.6
|
| 609 |
EDJ-MED-40e596c8-3_2
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)C[N@H+](Cc5c4cc(cc5)Cl)CCNC(=O)C6CC6 |
−7.8
± 0.6
|
| 610 |
MAT-POS-e75f6e44-12_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)CC(=O)NCC6(CC6)CO |
−7.8
± 0.3
|
| 611 |
MAT-POS-e75f6e44-12_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@H+](Cc5c4cc(cc5)Cl)CC(=O)NCC6(CC6)CO |
−7.8
± 0.3
|
| 612 |
MAT-POS-e75f6e44-12_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)CC(=O)NCC6(CC6)CO |
−7.8
± 0.3
|
| 613 |
PET-UNK-14142a25-10_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl |
−7.8
± 0.3
|
| 614 |
PET-UNK-14142a25-10_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3c[nH+]cc4c3cccc4)c5cc(ccc5C1=O)Cl |
−7.8
± 0.3
|
| 615 |
EDJ-MED-ede5c6cb-1_1
|
|
CS(=O)(=O)Nc1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl |
−7.8
± 0.4
|
| 616 |
EDJ-MED-ede5c6cb-1_1
|
|
CS(=O)(=O)Nc1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl |
−7.8
± 0.4
|
| 617 |
EDJ-MED-33064c06-4_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC(=O)NCC6CS(=O)(=O)C6 |
−7.8
± 0.4
|
| 618 |
EDJ-MED-33064c06-4_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC(=O)NCC6CS(=O)(=O)C6 |
−7.8
± 0.4
|
| 619 |
ALP-POS-ecbed2ba-15_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CCCC6)C#N |
−7.8
± 1.0
|
| 620 |
ALP-POS-ecbed2ba-15_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CCCC6)C#N |
−7.8
± 1.0
|
| 621 |
LUO-POS-e1dab717-3_1
|
|
CNC(=O)C1(CC1)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cc(cc6)Cl)Cl |
−7.8
± 0.2
|
| 622 |
LUO-POS-e1dab717-3_1
|
|
CNC(=O)C1(CC1)[N@@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cc(cc6)Cl)Cl |
−7.8
± 0.2
|
| 623 |
MIC-UNK-c85ea37c-1_1
|
|
c1ccc2c(c1)cncc2N3C[C@@H]([C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N)CC7CCCCC7 |
−7.8
± 0.9
|
| 624 |
MIC-UNK-c85ea37c-1_1
|
|
c1ccc2c(c1)c[nH+]cc2N3C[C@@H]([C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N)CC7CCCCC7 |
−7.8
± 0.9
|
| 625 |
MIK-ENA-5d9157e9-1_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−7.7
± 0.6
|
| 626 |
MIK-ENA-5d9157e9-1_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−7.7
± 0.6
|
| 627 |
PET-UNK-626a1084-1_1
|
|
c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC#N |
−7.7
± 0.3
|
| 628 |
EDJ-MED-4138fde9-3_2
|
|
CNCCOc1ccc2cncc(c2c1)N3CC[C@@]4(C3=O)C[N@H+](Cc5c4cc(cc5)Cl)C6(CC6)C(=O)NC |
−7.7
± 0.4
|
| 629 |
EDJ-MED-4138fde9-3_2
|
|
CNCCOc1ccc2c[nH+]cc(c2c1)N3CC[C@@]4(C3=O)C[N@H+](Cc5c4cc(cc5)Cl)C6(CC6)C(=O)NC |
−7.7
± 0.4
|
| 630 |
JOH-MSK-4bb3d434-2_1
|
|
COC(=O)CN1C[C@]2(CC(=O)N(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl |
−7.7
± 0.3
|
| 631 |
EDJ-MED-59d5ca70-1_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)C6(CC6)C(=O)NCC7CC7 |
−7.7
± 0.3
|
| 632 |
EDJ-MED-59d5ca70-1_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)C6(CC6)C(=O)NCC7CC7 |
−7.7
± 0.3
|
| 633 |
MAT-POS-e75f6e44-16_1
|
|
C[NH+]1CC(C1)CNC(=O)C[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−7.7
± 0.3
|
| 634 |
MAT-POS-e75f6e44-16_1
|
|
C[NH+]1CC(C1)CNC(=O)C[N@@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−7.7
± 0.3
|
| 635 |
MAT-POS-e75f6e44-16_1
|
|
C[NH+]1CC(C1)CNC(=O)C[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5c[nH+]cc6c5cccc6)Cl |
−7.7
± 0.3
|
| 636 |
MAT-POS-e75f6e44-16_1
|
|
CN1CC(C1)CNC(=O)C[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−7.7
± 0.3
|
| 637 |
MAT-POS-50a80394-4_2
|
|
C[C@H]1CN(C(=O)[C@@]12C[N@@](Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5 |
−7.7
± 0.4
|
| 638 |
MAT-POS-50a80394-4_2
|
|
C[C@H]1CN(C(=O)[C@@]12C[N@@H+](Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5 |
−7.7
± 0.4
|
| 639 |
MAT-POS-50a80394-4_2
|
|
C[C@H]1CN(C(=O)[C@@]12C[N@@](Cc3c2cc(cc3)Cl)CC(=O)NC)c4c[nH+]cc5c4cccc5 |
−7.7
± 0.4
|
| 640 |
MAT-POS-e75f6e44-20_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@H+](Cc5c4cc(cc5)Cl)CC(=O)NCC6CS(=O)(=O)C6 |
−7.6
± 0.6
|
| 641 |
MAT-POS-e75f6e44-20_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)CC(=O)NCC6CS(=O)(=O)C6 |
−7.6
± 0.6
|
| 642 |
MAT-POS-e75f6e44-20_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)CC(=O)NCC6CS(=O)(=O)C6 |
−7.6
± 0.6
|
| 643 |
MAT-POS-e75f6e44-3_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)CC(=O)NC6(CC6)CN |
−7.6
± 0.3
|
| 644 |
MAT-POS-e75f6e44-3_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@H+](Cc5c4cc(cc5)Cl)CC(=O)NC6(CC6)CN |
−7.6
± 0.3
|
| 645 |
MAT-POS-e75f6e44-3_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)CC(=O)NC6(CC6)CN |
−7.6
± 0.3
|
| 646 |
MAT-POS-e75f6e44-21_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)CC(=O)NCC6CC(C6)(F)F |
−7.6
± 0.3
|
| 647 |
MAT-POS-e75f6e44-21_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@H+](Cc5c4cc(cc5)Cl)CC(=O)NCC6CC(C6)(F)F |
−7.6
± 0.3
|
| 648 |
MAT-POS-e75f6e44-21_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)CC(=O)NCC6CC(C6)(F)F |
−7.6
± 0.3
|
| 649 |
JOH-MSK-4bb3d434-1_1
|
|
COC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl |
−7.6
± 0.3
|
| 650 |
JOH-MSK-4bb3d434-1_1
|
|
COC(=O)CN1C[C@]2(CCN(C2=O)c3c[nH+]cc4c3cccc4)c5cc(ccc5C1=O)Cl |
−7.6
± 0.3
|
| 651 |
MAT-POS-b4d6b7fc-7_1
|
|
CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4ccc(c5)NS(=O)(=O)C)Cl |
−7.6
± 0.7
|
| 652 |
MAT-POS-b4d6b7fc-7_1
|
|
CNC(=O)C[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4ccc(c5)NS(=O)(=O)C)Cl |
−7.6
± 0.7
|
| 653 |
MAT-POS-b4d6b7fc-7_1
|
|
CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4c[nH+]cc5c4ccc(c5)NS(=O)(=O)C)Cl |
−7.6
± 0.7
|
| 654 |
MAT-POS-b4d6b7fc-7_1
|
|
CNC(=O)C[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4c[nH+]cc5c4ccc(c5)NS(=O)(=O)C)Cl |
−7.6
± 0.7
|
| 655 |
EDJ-MED-40e596c8-4_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CCNC(=O)C6CC6 |
−7.6
± 0.3
|
| 656 |
EDJ-MED-40e596c8-4_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CCNC(=O)C6CC6 |
−7.6
± 0.3
|
| 657 |
LUO-POS-e1dab717-11_1
|
|
CCNC(=O)C[N@]1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5S1(=O)=O)Cl |
−7.6
± 0.5
|
| 658 |
LUO-POS-e1dab717-11_1
|
|
CCNC(=O)C[N@]1C[C@]2(CCN(C2=O)c3c[nH+]cc4c3cccc4)c5cc(ccc5S1(=O)=O)Cl |
−7.6
± 0.5
|
| 659 |
EDJ-MED-6b23330e-3_1
|
|
CC(C)(CNC(=O)C[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl)C#N |
−7.6
± 0.2
|
| 660 |
EDJ-MED-6b23330e-3_1
|
|
CC(C)(CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl)C#N |
−7.6
± 0.2
|
| 661 |
EDJ-MED-6b23330e-3_1
|
|
CC(C)(CNC(=O)C[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4c[nH+]cc5c4cccc5)Cl)C#N |
−7.6
± 0.2
|
| 662 |
MAT-POS-c7726e07-5_1
|
|
CNC(=O)C[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−7.56
± 0.08
|
| 663 |
MAT-POS-c7726e07-5_1
|
|
CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−7.56
± 0.08
|
| 664 |
MAT-POS-c7726e07-5_1
|
|
CNC(=O)C[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4c[nH+]cc5c4cccc5)Cl |
−7.56
± 0.08
|
| 665 |
EDJ-MED-6b23330e-5_1
|
|
CC1(CC1)CNC(=O)C[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−7.6
± 0.2
|
| 666 |
EDJ-MED-6b23330e-5_1
|
|
CC1(CC1)CNC(=O)C[N@@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−7.6
± 0.2
|
| 667 |
EDJ-MED-6b23330e-5_1
|
|
CC1(CC1)CNC(=O)C[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5c[nH+]cc6c5cccc6)Cl |
−7.6
± 0.2
|
| 668 |
LUO-POS-868e8996-11_1
|
|
CNC(=O)C[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−7.54
± 0.09
|
| 669 |
LUO-POS-868e8996-11_1
|
|
CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−7.54
± 0.09
|
| 670 |
LUO-POS-868e8996-11_1
|
|
CNC(=O)C[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4c[nH+]cc5c4cccc5)Cl |
−7.54
± 0.09
|
| 671 |
MAT-POS-853c0ffa-12_1
|
|
CC(C)(c1ccc2cncc(c2c1)N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)OC)O |
−7.5
± 0.8
|
| 672 |
MAT-POS-853c0ffa-12_1
|
|
CC(C)(c1ccc2c[nH+]cc(c2c1)N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)OC)O |
−7.5
± 0.8
|
| 673 |
EDJ-MED-33064c06-11_1
|
|
CNC(=O)C1(CCOCC1)N2C[C@]3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl |
−7.5
± 0.5
|
| 674 |
EDJ-MED-33064c06-11_1
|
|
CNC(=O)C1(CCOCC1)N2C[C@]3(CCN(C3=O)c4c[nH+]cc5c4cccc5)c6cc(ccc6C2=O)Cl |
−7.5
± 0.5
|
| 675 |
VLA-UNK-61877630-4_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(cc(c5C1=O)F)Cl |
−7.5
± 0.3
|
| 676 |
VLA-UNK-61877630-4_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3c[nH+]cc4c3cccc4)c5cc(cc(c5C1=O)F)Cl |
−7.5
± 0.3
|
| 677 |
EDJ-MED-33064c06-5_1
|
|
CN(C)C1(CC1)CNC(=O)CN2C[C@]3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl |
−7.5
± 0.4
|
| 678 |
EDJ-MED-33064c06-5_1
|
|
C[NH+](C)C1(CC1)CNC(=O)CN2C[C@]3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl |
−7.5
± 0.4
|
| 679 |
EDJ-MED-33064c06-5_1
|
|
C[NH+](C)C1(CC1)CNC(=O)CN2C[C@]3(CCN(C3=O)c4c[nH+]cc5c4cccc5)c6cc(ccc6C2=O)Cl |
−7.5
± 0.4
|
| 680 |
MAT-POS-e75f6e44-8_2
|
|
C[C@H](C1CC1)NC(=O)C[N@@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−7.5
± 0.4
|
| 681 |
MAT-POS-e75f6e44-8_2
|
|
C[C@H](C1CC1)NC(=O)C[N@@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−7.5
± 0.4
|
| 682 |
MAT-POS-e75f6e44-8_2
|
|
C[C@H](C1CC1)NC(=O)C[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5c[nH+]cc6c5cccc6)Cl |
−7.5
± 0.4
|
| 683 |
MAT-POS-38eb6498-4_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cc(cc4)OCC[NH+](C)C)c5cc(ccc5C1=O)Cl |
−7.5
± 0.5
|
| 684 |
MAT-POS-38eb6498-4_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cc(cc4)OCCN(C)C)c5cc(ccc5C1=O)Cl |
−7.5
± 0.5
|
| 685 |
MAT-POS-38eb6498-4_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3c[nH+]cc4c3cc(cc4)OCC[NH+](C)C)c5cc(ccc5C1=O)Cl |
−7.5
± 0.5
|
| 686 |
MAT-POS-be048f2c-6_1
|
|
CC(C)n1c(ccn1)C(=O)N2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−7.4
± 0.4
|
| 687 |
MAT-POS-be048f2c-6_1
|
|
CC(C)n1c(ccn1)C(=O)N2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5c[nH+]cc6c5cccc6)Cl |
−7.4
± 0.4
|
| 688 |
VLA-UNK-61877630-8_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(c(c5)F)Cl)S(=O)(=O)CC6(CC6)C#N |
−7.4
± 0.8
|
| 689 |
VLA-UNK-61877630-8_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(c(c5)F)Cl)S(=O)(=O)CC6(CC6)C#N |
−7.4
± 0.8
|
| 690 |
VLA-UNK-e334495f-1_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5F)Cl)S(=O)(=O)CC6(CC6)C#N |
−7.4
± 0.8
|
| 691 |
VLA-UNK-e334495f-1_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5F)Cl)S(=O)(=O)CC6(CC6)C#N |
−7.4
± 0.8
|
| 692 |
ALP-POS-c3a90b22-4_1
|
|
CNC(=O)C1(COC1)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−7.4
± 0.3
|
| 693 |
ALP-POS-c3a90b22-4_1
|
|
CNC(=O)C1(COC1)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5c[nH+]cc6c5cccc6)Cl |
−7.4
± 0.3
|
| 694 |
ALP-POS-c3a90b22-4_1
|
|
CNC(=O)C1(COC1)[N@@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−7.4
± 0.3
|
| 695 |
EDJ-MED-b6c6ee2b-3_1
|
|
COc1ccc2cncc(c2c1)N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−7.4
± 0.9
|
| 696 |
EDJ-MED-b6c6ee2b-3_1
|
|
COc1ccc2c[nH+]cc(c2c1)N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−7.4
± 0.9
|
| 697 |
MIK-ENA-be04d1d4-1_1
|
|
CC[C@@H]1CN(C(=O)[C@@]12C[N@@](Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 |
−7.4
± 0.8
|
| 698 |
MIK-ENA-be04d1d4-1_1
|
|
CC[C@@H]1CN(C(=O)[C@@]12C[N@@](Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5c[nH+]cc6c5cccc6 |
−7.4
± 0.8
|
| 699 |
VLA-UNK-8e615992-4_1
|
|
CNC(=O)CN1[C@@H]([C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl)C(F)(F)F |
−7.4
± 0.3
|
| 700 |
VLA-UNK-8e615992-4_1
|
|
CNC(=O)CN1[C@@H]([C@]2(CCN(C2=O)c3c[nH+]cc4c3cccc4)c5cc(ccc5C1=O)Cl)C(F)(F)F |
−7.4
± 0.3
|