| Rank |
Microstate |
SMILES |
ΔG / kcal M-1 |
| 501 |
ALP-POS-ecbed2ba-16_1
|
|
C[N@](CCC#N)S(=O)(=O)[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4c[nH+]cc5c4cccc5)Cl |
−8.4
± 1.0
|
| 502 |
ALP-POS-ecbed2ba-16_1
|
|
C[N@](CCC#N)S(=O)(=O)[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−8.4
± 1.0
|
| 503 |
ALP-POS-c3a90b22-1_1
|
|
CNC(=O)C1(CCC1)N2C[C@]3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl |
−8.4
± 0.7
|
| 504 |
ALP-POS-c3a90b22-1_1
|
|
CNC(=O)C1(CCC1)N2C[C@]3(CCN(C3=O)c4c[nH+]cc5c4cccc5)c6cc(ccc6C2=O)Cl |
−8.4
± 0.7
|
| 505 |
MIK-ENA-37e0b697-1_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl |
−8.4
± 0.3
|
| 506 |
MIK-ENA-37e0b697-1_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3c[nH+]cc4c3cccc4)c5cc(ccc5C1=O)Cl |
−8.4
± 0.3
|
| 507 |
ALP-POS-c3a90b22-5_1
|
|
CNC(=O)CCN1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl |
−8.3
± 0.4
|
| 508 |
ALP-POS-c3a90b22-5_1
|
|
CNC(=O)CCN1C[C@]2(CCN(C2=O)c3c[nH+]cc4c3cccc4)c5cc(ccc5C1=O)Cl |
−8.3
± 0.4
|
| 509 |
VLA-UNK-61877630-3_1
|
|
CNC(=O)CN1[C@@H]([C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl)C(F)(F)F |
−8.3
± 0.3
|
| 510 |
VLA-UNK-61877630-3_1
|
|
CNC(=O)CN1[C@@H]([C@]2(CCN(C2=O)c3c[nH+]cc4c3cccc4)c5cc(ccc5C1=O)Cl)C(F)(F)F |
−8.3
± 0.3
|
| 511 |
MAT-POS-e75f6e44-1_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)CC(=O)NCC6(CC6)O |
−8.3
± 0.2
|
| 512 |
MAT-POS-e75f6e44-1_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@H+](Cc5c4cc(cc5)Cl)CC(=O)NCC6(CC6)O |
−8.3
± 0.2
|
| 513 |
MAT-POS-e75f6e44-1_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)CC(=O)NCC6(CC6)O |
−8.3
± 0.2
|
| 514 |
VLA-UNK-61877630-10_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C(F)(F)F |
−8.3
± 0.9
|
| 515 |
VLA-UNK-61877630-10_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C(F)(F)F |
−8.3
± 0.9
|
| 516 |
EDJ-MED-cc48ee33-3_1
|
|
Cn1c(cc[nH+]1)C(=O)N2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−8.3
± 0.2
|
| 517 |
EDJ-MED-cc48ee33-3_1
|
|
Cn1c(cc[nH+]1)C(=O)N2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5c[nH+]cc6c5cccc6)Cl |
−8.3
± 0.2
|
| 518 |
EDJ-MED-ee81482e-5_1
|
|
c1cc2cncc(c2cc1C[NH+]3CC4(C3)COC4)N5CC[C@@]6(C5=O)C[N@@](Cc7c6cc(cc7)Cl)S(=O)(=O)CC8(CC8)C#N |
−8.3
± 0.9
|
| 519 |
EDJ-MED-ee81482e-5_1
|
|
c1cc2cncc(c2cc1CN3CC4(C3)COC4)N5CC[C@@]6(C5=O)C[N@@](Cc7c6cc(cc7)Cl)S(=O)(=O)CC8(CC8)C#N |
−8.3
± 0.9
|
| 520 |
EDJ-MED-ee81482e-5_1
|
|
c1cc2c[nH+]cc(c2cc1C[NH+]3CC4(C3)COC4)N5CC[C@@]6(C5=O)C[N@@](Cc7c6cc(cc7)Cl)S(=O)(=O)CC8(CC8)C#N |
−8.3
± 0.9
|
| 521 |
PET-UNK-626a1084-2_1
|
|
C#CCN1C[C@]2(CC(=O)N(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl |
−8.3
± 0.4
|
| 522 |
LUO-POS-e1dab717-1_1
|
|
CNC(=O)C1(CC1)[N@@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−8.3
± 0.5
|
| 523 |
LUO-POS-e1dab717-1_1
|
|
CNC(=O)C1(CC1)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−8.3
± 0.5
|
| 524 |
LUO-POS-e1dab717-1_1
|
|
CNC(=O)C1(CC1)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5c[nH+]cc6c5cccc6)Cl |
−8.3
± 0.5
|
| 525 |
MAT-POS-e75f6e44-5_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@H+](Cc5c4cc(cc5)Cl)CC(=O)NCC6(CC6)N |
−8.3
± 0.6
|
| 526 |
MAT-POS-e75f6e44-5_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)CC(=O)NCC6(CC6)N |
−8.3
± 0.6
|
| 527 |
MAT-POS-e75f6e44-5_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)CC(=O)NCC6(CC6)N |
−8.3
± 0.6
|
| 528 |
MAT-POS-69786b79-1_1
|
|
CNC(=O)C1(CC1)[N@@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−8.3
± 0.6
|
| 529 |
MAT-POS-69786b79-1_1
|
|
CNC(=O)C1(CC1)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−8.3
± 0.6
|
| 530 |
MAT-POS-69786b79-1_1
|
|
CNC(=O)C1(CC1)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5c[nH+]cc6c5cccc6)Cl |
−8.3
± 0.6
|
| 531 |
LUO-POS-e1dab717-2_1
|
|
CNC(=O)C1(CC1)N2C[C@]3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl |
−8.2
± 0.3
|
| 532 |
LUO-POS-e1dab717-2_1
|
|
CNC(=O)C1(CC1)N2C[C@]3(CCN(C3=O)c4c[nH+]cc5c4cccc5)c6cc(ccc6C2=O)Cl |
−8.2
± 0.3
|
| 533 |
MAT-POS-853c0ffa-1_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3c(ccc4)Cl)c5cc(ccc5C1=O)Cl |
−8.2
± 0.1
|
| 534 |
MAT-POS-e75f6e44-10_1
|
|
COC1(CC1)CNC(=O)C[N@@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−8.2
± 0.6
|
| 535 |
MAT-POS-e75f6e44-10_1
|
|
COC1(CC1)CNC(=O)C[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−8.2
± 0.6
|
| 536 |
MAT-POS-e75f6e44-10_1
|
|
COC1(CC1)CNC(=O)C[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5c[nH+]cc6c5cccc6)Cl |
−8.2
± 0.6
|
| 537 |
PET-UNK-37c7074c-2_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6ccon6 |
−8.2
± 0.2
|
| 538 |
PET-UNK-37c7074c-2_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6ccon6 |
−8.2
± 0.2
|
| 539 |
EDJ-MED-9f4ac58c-2_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−8.2
± 0.6
|
| 540 |
EDJ-MED-9f4ac58c-2_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−8.2
± 0.6
|
| 541 |
EDJ-MED-94fddcec-5_1
|
|
CS(=O)(=O)c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl |
−8.2
± 0.5
|
| 542 |
PET-UNK-c6bcc80b-11_1
|
|
CS(=O)(=O)Nc1cc2c[nH+]cc(c2cc1F)N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−8.2
± 0.9
|
| 543 |
PET-UNK-c6bcc80b-11_1
|
|
CS(=O)(=O)Nc1cc2cncc(c2cc1F)N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−8.2
± 0.9
|
| 544 |
EDJ-MED-33064c06-13_1
|
|
CNC(=O)C1(COC1)N2C[C@]3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl |
−8.2
± 0.3
|
| 545 |
EDJ-MED-33064c06-13_1
|
|
CNC(=O)C1(COC1)N2C[C@]3(CCN(C3=O)c4c[nH+]cc5c4cccc5)c6cc(ccc6C2=O)Cl |
−8.2
± 0.3
|
| 546 |
EDJ-MED-b6c6ee2b-2_1
|
|
CNC(=O)C[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(cc5)OC)Cl |
−8.17
± 0.10
|
| 547 |
EDJ-MED-b6c6ee2b-2_1
|
|
CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(cc5)OC)Cl |
−8.17
± 0.10
|
| 548 |
EDJ-MED-b6c6ee2b-2_1
|
|
CNC(=O)C[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4c[nH+]cc5c4cc(cc5)OC)Cl |
−8.17
± 0.10
|
| 549 |
EDJ-MED-b6c6ee2b-2_1
|
|
CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4c[nH+]cc5c4cc(cc5)OC)Cl |
−8.17
± 0.10
|
| 550 |
LUO-POS-b4dec3be-2_1
|
|
CNC(=O)C[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(cc5)F)Cl |
−8.15
± 0.09
|
| 551 |
LUO-POS-b4dec3be-2_1
|
|
CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(cc5)F)Cl |
−8.15
± 0.09
|
| 552 |
LUO-POS-b4dec3be-2_1
|
|
CNC(=O)C[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4c[nH+]cc5c4cc(cc5)F)Cl |
−8.15
± 0.09
|
| 553 |
PET-UNK-37c7074c-1_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6ccno6 |
−8.1
± 0.2
|
| 554 |
PET-UNK-37c7074c-1_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6ccno6 |
−8.1
± 0.2
|
| 555 |
PET-UNK-94036022-14_1
|
|
CNC(=O)C[N@@]1Cc2ccc(cc2[C@]3(C1)C(=O)C(=C)N(C3=O)c4cncc5c4cccc5)Cl |
−8.1
± 0.3
|
| 556 |
PET-UNK-94036022-14_1
|
|
CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)C(=O)C(=C)N(C3=O)c4cncc5c4cccc5)Cl |
−8.1
± 0.3
|
| 557 |
VLA-UNK-61877630-6_2
|
|
CNC(=O)CN1[C@H]([C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl)C(F)F |
−8.1
± 0.3
|
| 558 |
VLA-UNK-61877630-6_2
|
|
CNC(=O)CN1[C@H]([C@]2(CCN(C2=O)c3c[nH+]cc4c3cccc4)c5cc(ccc5C1=O)Cl)C(F)F |
−8.1
± 0.3
|
| 559 |
MAT-POS-b4d6b7fc-5_1
|
|
CNC(=O)C[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(cc5)F)Cl |
−8.12
± 0.08
|
| 560 |
MAT-POS-b4d6b7fc-5_1
|
|
CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(cc5)F)Cl |
−8.12
± 0.08
|
| 561 |
MAT-POS-b4d6b7fc-5_1
|
|
CNC(=O)C[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4c[nH+]cc5c4cc(cc5)F)Cl |
−8.12
± 0.08
|
| 562 |
MAT-POS-1d5ab790-3_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3c(ccc4)Cl)c5cc(ccc5C1=O)Cl |
−8.1
± 0.1
|
| 563 |
VLA-UNK-5d8210f0-4_1
|
|
CNC(=O)C[N@@]1Cc2ccc(cc2[C@]3([C@H]1C(F)(F)F)CCN(C3=O)c4cncc5c4cccc5)Cl |
−8.1
± 0.4
|
| 564 |
VLA-UNK-5d8210f0-4_1
|
|
CNC(=O)C[N@]1Cc2ccc(cc2[C@]3([C@H]1C(F)(F)F)CCN(C3=O)c4c[nH+]cc5c4cccc5)Cl |
−8.1
± 0.4
|
| 565 |
EDJ-MED-4138fde9-4_2
|
|
CNC(=O)C1(CC1)[N@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cc(cc6)OCCNCC(F)(F)F)Cl |
−8.1
± 0.5
|
| 566 |
EDJ-MED-4138fde9-4_2
|
|
CNC(=O)C1(CC1)[N@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5c[nH+]cc6c5cc(cc6)OCCNCC(F)(F)F)Cl |
−8.1
± 0.5
|
| 567 |
BEN-BAS-c2bc0d80-6_1
|
|
c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)CCOc5c4cc(cc5)Cl |
−8.1
± 0.1
|
| 568 |
PET-UNK-626a1084-4_1
|
|
C#CCN1C[C@]2(CC(=O)N(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl |
−8.1
± 0.3
|
| 569 |
MAT-POS-e75f6e44-17_2
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@H+](Cc5c4cc(cc5)Cl)CC(=O)NCC6(CCC6)O |
−8.1
± 0.7
|
| 570 |
MAT-POS-e75f6e44-17_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@H+](Cc5c4cc(cc5)Cl)CC(=O)NCC6(CCC6)O |
−8.1
± 0.4
|
| 571 |
MAT-POS-e75f6e44-17_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)CC(=O)NCC6(CCC6)O |
−8.1
± 0.4
|
| 572 |
MAT-POS-e75f6e44-17_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)CC(=O)NCC6(CCC6)O |
−8.1
± 0.4
|
| 573 |
MAT-POS-50a80394-5_2
|
|
CC[C@H]1CN(C(=O)[C@@]12C[N@@](Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5 |
−8.0
± 0.4
|
| 574 |
MAT-POS-50a80394-5_2
|
|
CC[C@H]1CN(C(=O)[C@@]12C[N@@H+](Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5 |
−8.0
± 0.4
|
| 575 |
MAT-POS-50a80394-5_2
|
|
CC[C@H]1CN(C(=O)[C@@]12C[N@@](Cc3c2cc(cc3)Cl)CC(=O)NC)c4c[nH+]cc5c4cccc5 |
−8.0
± 0.4
|
| 576 |
EDJ-MED-33064c06-16_1
|
|
COC1(CC1)CNC(=O)C[N@@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−8.0
± 0.7
|
| 577 |
EDJ-MED-33064c06-16_1
|
|
COC1(CC1)CNC(=O)C[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−8.0
± 0.7
|
| 578 |
EDJ-MED-33064c06-16_1
|
|
COC1(CC1)CNC(=O)C[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5c[nH+]cc6c5cccc6)Cl |
−8.0
± 0.7
|
| 579 |
ALP-POS-4483ae88-1_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)CNS(=O)(=O)c5c4cc(cc5)Cl |
−8.0
± 0.4
|
| 580 |
ALP-POS-4483ae88-1_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CNS(=O)(=O)c5c4cc(cc5)Cl |
−8.0
± 0.4
|
| 581 |
MAT-POS-576f7758-2_1
|
|
CNC(=O)C1(CC1)N2C[C@]3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl |
−8.0
± 0.3
|
| 582 |
MAT-POS-576f7758-2_1
|
|
CNC(=O)C1(CC1)N2C[C@]3(CCN(C3=O)c4c[nH+]cc5c4cccc5)c6cc(ccc6C2=O)Cl |
−8.0
± 0.3
|
| 583 |
ALP-POS-c3a90b22-8_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CS(=O)(=O)CC6(CC6)C#N |
−8.0
± 0.4
|
| 584 |
ALP-POS-c3a90b22-8_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CS(=O)(=O)CC6(CC6)C#N |
−8.0
± 0.4
|
| 585 |
MAT-POS-be048f2c-7_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(Cc5c4cc(cc5)Cl)C(=O)c6ccnn6C7CC7 |
−8.0
± 0.3
|
| 586 |
MAT-POS-be048f2c-7_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)CN(Cc5c4cc(cc5)Cl)C(=O)c6ccnn6C7CC7 |
−8.0
± 0.3
|
| 587 |
VLA-UNK-61877630-3_2
|
|
CNC(=O)CN1[C@H]([C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl)C(F)(F)F |
−8.0
± 0.5
|
| 588 |
VLA-UNK-61877630-3_2
|
|
CNC(=O)CN1[C@H]([C@]2(CCN(C2=O)c3c[nH+]cc4c3cccc4)c5cc(ccc5C1=O)Cl)C(F)(F)F |
−8.0
± 0.5
|
| 589 |
VLA-UNK-5d8210f0-1_1
|
|
CNC(=O)C[N@]1Cc2c(cc(cc2F)Cl)[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5 |
−8.0
± 0.1
|
| 590 |
VLA-UNK-5d8210f0-1_1
|
|
CNC(=O)C[N@@H+]1Cc2c(cc(cc2F)Cl)[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5 |
−8.0
± 0.1
|
| 591 |
VLA-UNK-5d8210f0-1_1
|
|
CNC(=O)C[N@]1Cc2c(cc(cc2F)Cl)[C@]3(C1)CCN(C3=O)c4c[nH+]cc5c4cccc5 |
−8.0
± 0.1
|
| 592 |
EDJ-MED-94fddcec-4_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl |
−8.0
± 0.4
|
| 593 |
EDJ-MED-94fddcec-4_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl |
−8.0
± 0.4
|
| 594 |
MAT-POS-ddfe83c6-1_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cc(cc4)OC)c5cc(ccc5C1=O)Cl |
−7.9
± 0.3
|
| 595 |
MAT-POS-ddfe83c6-1_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3c[nH+]cc4c3cc(cc4)OC)c5cc(ccc5C1=O)Cl |
−7.9
± 0.3
|
| 596 |
MAT-POS-e75f6e44-18_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@H+](Cc5c4cc(cc5)Cl)CC(=O)NCC6CC(C6)F |
−7.9
± 0.3
|
| 597 |
MAT-POS-e75f6e44-18_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)CC(=O)NCC6CC(C6)F |
−7.9
± 0.3
|
| 598 |
MAT-POS-e75f6e44-18_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)CC(=O)NCC6CC(C6)F |
−7.9
± 0.3
|
| 599 |
PET-UNK-94036022-7_1
|
|
CNC(=O)C[N@@]1Cc2ccc(cc2[C@]3(C1)C(=O)C(=C)N(C3=O)c4cncc5c4cccc5)Cl |
−7.9
± 0.4
|
| 600 |
PET-UNK-94036022-7_1
|
|
CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)C(=O)C(=C)N(C3=O)c4cncc5c4cccc5)Cl |
−7.9
± 0.4
|