| Rank |
Microstate |
SMILES |
ΔG / kcal M-1 |
| 401 |
EDJ-MED-7e491f08-2_1
|
|
CNC(=O)C1(CC1)N2C[C@]3(c4cc(ccc4C2=O)Cl)C(=O)N(CC3(F)F)c5c[nH+]cc6c5cccc6 |
−8.9
± 0.4
|
| 402 |
MAT-POS-1d5ab790-2_1
|
|
CNC(=O)C[N@@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4c(ccc5)Cl)Cl |
−8.9
± 0.2
|
| 403 |
MAT-POS-1d5ab790-2_1
|
|
CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4c(ccc5)Cl)Cl |
−8.9
± 0.2
|
| 404 |
EDJ-MED-9f4ac58c-5_1
|
|
COC1(CC1)CS(=O)(=O)N2C[C@]3(CCN(C3=O)c4cncc5c4ccc(c5)Cl)c6cc(ccc6C2=O)Cl |
−8.9
± 0.8
|
| 405 |
PET-UNK-7e9559de-1_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)Cc6n[nH+]cs6 |
−8.9
± 0.3
|
| 406 |
PET-UNK-7e9559de-1_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@H+](Cc5c4cc(cc5)Cl)Cc6n[nH+]cs6 |
−8.9
± 0.3
|
| 407 |
PET-UNK-7e9559de-1_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)Cc6n[nH+]cs6 |
−8.9
± 0.3
|
| 408 |
MAT-POS-e75f6e44-7_2
|
|
C[NH+](C)C1(CC1)CNC(=O)C[N@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−8.9
± 0.6
|
| 409 |
EDJ-MED-cc48ee33-2_1
|
|
Cn1c(cc[nH+]1)C(=O)N2C[C@]3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl |
−8.8
± 0.3
|
| 410 |
EDJ-MED-cc48ee33-2_1
|
|
Cn1c(cc[nH+]1)C(=O)N2C[C@]3(CCN(C3=O)c4c[nH+]cc5c4cccc5)c6cc(ccc6C2=O)Cl |
−8.8
± 0.3
|
| 411 |
EDJ-MED-94fddcec-7_1
|
|
CS(=O)(=O)Nc1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl |
−8.8
± 0.5
|
| 412 |
EDJ-MED-94fddcec-7_1
|
|
CS(=O)(=O)Nc1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl |
−8.8
± 0.5
|
| 413 |
LUO-POS-868e8996-12_2
|
|
CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−8.8
± 0.3
|
| 414 |
MAT-POS-e75f6e44-20_2
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@H+](Cc5c4cc(cc5)Cl)CC(=O)NCC6CS(=O)(=O)C6 |
−8.8
± 0.7
|
| 415 |
EDJ-MED-accc2c4d-2_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)[C]6C[C]6C#N |
−8.8
± 1.0
|
| 416 |
EDJ-MED-accc2c4d-2_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)[C]6C[C]6C#N |
−8.8
± 1.0
|
| 417 |
MAT-POS-e75f6e44-8_1
|
|
C[C@@H](C1CC1)NC(=O)C[N@@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−8.8
± 0.6
|
| 418 |
MAT-POS-e75f6e44-8_1
|
|
C[C@@H](C1CC1)NC(=O)C[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−8.8
± 0.6
|
| 419 |
MAT-POS-e75f6e44-8_1
|
|
C[C@@H](C1CC1)NC(=O)C[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5c[nH+]cc6c5cccc6)Cl |
−8.8
± 0.6
|
| 420 |
MAT-POS-50a80394-5_3
|
|
CC[C@@H]1CN(C(=O)[C@@]12C[N@H+](Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5 |
−8.8
± 0.3
|
| 421 |
MAT-POS-c7726e07-5_2
|
|
CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−8.8
± 0.3
|
| 422 |
EDJ-MED-33064c06-12_1
|
|
CC(C)(CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl)O |
−8.8
± 0.4
|
| 423 |
EDJ-MED-33064c06-12_1
|
|
CC(C)(CNC(=O)CN1C[C@]2(CCN(C2=O)c3c[nH+]cc4c3cccc4)c5cc(ccc5C1=O)Cl)O |
−8.8
± 0.4
|
| 424 |
ALP-POS-ecbed2ba-4_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−8.8
± 1.0
|
| 425 |
ALP-POS-ecbed2ba-4_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−8.8
± 1.0
|
| 426 |
LUO-POS-8c3e556a-1_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cc(cc4)Cl)c5cc(ccc5C1=O)Cl |
−8.8
± 0.3
|
| 427 |
VLA-UCB-50c39ae8-2_1
|
|
c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)CCOc5c4cc(cc5)Cl |
−8.8
± 0.1
|
| 428 |
MAT-POS-50a80394-6_3
|
|
CC(C)[C@@H]1CN(C(=O)[C@@]12C[N@H+](Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5 |
−8.8
± 0.2
|
| 429 |
EDJ-MED-accc2c4d-4_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)C6(CC6)C#N |
−8.8
± 0.8
|
| 430 |
EDJ-MED-accc2c4d-4_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)C6(CC6)C#N |
−8.8
± 0.8
|
| 431 |
EDJ-MED-cc48ee33-4_1
|
|
Cc1c[nH+]n(c1C(=O)N2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl)C |
−8.7
± 0.3
|
| 432 |
EDJ-MED-cc48ee33-4_1
|
|
Cc1c[nH+]n(c1C(=O)N2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5c[nH+]cc6c5cccc6)Cl)C |
−8.7
± 0.3
|
| 433 |
PET-UNK-77d5678a-1_1
|
|
c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)Cc6n[nH+]cs6 |
−8.7
± 0.2
|
| 434 |
PET-UNK-77d5678a-1_1
|
|
c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)C[N@@H+](Cc5c4cc(cc5)Cl)Cc6n[nH+]cs6 |
−8.7
± 0.2
|
| 435 |
EDJ-MED-40e596c8-3_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@H+](Cc5c4cc(cc5)Cl)CCNC(=O)C6CC6 |
−8.7
± 0.6
|
| 436 |
EDJ-MED-40e596c8-3_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)C[N@@H+](Cc5c4cc(cc5)Cl)CCNC(=O)C6CC6 |
−8.7
± 0.6
|
| 437 |
EDJ-MED-40e596c8-3_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)CCNC(=O)C6CC6 |
−8.7
± 0.6
|
| 438 |
MAT-POS-38eb6498-5_1
|
|
CNC(=O)C[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(cc5)C(=O)NC)Cl |
−8.7
± 0.1
|
| 439 |
MAT-POS-38eb6498-5_1
|
|
CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(cc5)C(=O)NC)Cl |
−8.7
± 0.1
|
| 440 |
MAT-POS-38eb6498-5_1
|
|
CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4c[nH+]cc5c4cc(cc5)C(=O)NC)Cl |
−8.7
± 0.1
|
| 441 |
MAT-POS-38eb6498-5_1
|
|
CNC(=O)C[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4c[nH+]cc5c4cc(cc5)C(=O)NC)Cl |
−8.7
± 0.1
|
| 442 |
EDJ-MED-98c0a822-3_1
|
|
CNC(=O)C1(CCC1)N2C[C@]3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl |
−8.7
± 0.6
|
| 443 |
EDJ-MED-98c0a822-3_1
|
|
CNC(=O)C1(CCC1)N2C[C@]3(CCN(C3=O)c4c[nH+]cc5c4cccc5)c6cc(ccc6C2=O)Cl |
−8.7
± 0.6
|
| 444 |
MAT-POS-50a80394-5_4
|
|
CC[C@H]1CN(C(=O)[C@@]12C[N@H+](Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5 |
−8.7
± 0.4
|
| 445 |
MIK-ENA-e143773d-1_2
|
|
CC[C@H]1CN(C(=O)[C@@]12C[N@](Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5c[nH+]cc6c5cccc6 |
−8.7
± 0.8
|
| 446 |
MIK-ENA-e143773d-1_2
|
|
CC[C@H]1CN(C(=O)[C@@]12C[N@](Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 |
−8.7
± 0.8
|
| 447 |
VLA-UNK-e334495f-4_2
|
|
c1ccc2c(c1)cncc2N3CC[C@]4(C3=O)c5cc(ccc5C[N@@]([C@@H]4C(F)F)S(=O)(=O)CC6(CC6)C#N)Cl |
−8.7
± 0.5
|
| 448 |
VLA-UNK-e334495f-4_2
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@]4(C3=O)c5cc(ccc5C[N@@]([C@@H]4C(F)F)S(=O)(=O)CC6(CC6)C#N)Cl |
−8.7
± 0.5
|
| 449 |
MAT-POS-e75f6e44-13_2
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@H+](Cc5c4cc(cc5)Cl)CC(=O)NCC6CCC6 |
−8.7
± 0.5
|
| 450 |
JOH-MSK-1f2dff76-1_2
|
|
CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CC(=O)N(C3=O)c4cncc5c4cccc5)Cl |
−8.7
± 0.4
|
| 451 |
EDJ-MED-dfa1d800-3_1
|
|
CNC(=O)C1(CC1)N2C[C@]3(CCN(C3=O)c4cncc5c4cc(cc5)OCC[NH+]6CCS(=O)(=O)CC6)c7cc(ccc7C2=O)Cl |
−8.7
± 0.7
|
| 452 |
EDJ-MED-dfa1d800-3_1
|
|
CNC(=O)C1(CC1)N2C[C@]3(CCN(C3=O)c4cncc5c4cc(cc5)OCCN6CCS(=O)(=O)CC6)c7cc(ccc7C2=O)Cl |
−8.7
± 0.7
|
| 453 |
EDJ-MED-dfa1d800-3_1
|
|
CNC(=O)C1(CC1)N2C[C@]3(CCN(C3=O)c4c[nH+]cc5c4cc(cc5)OCCN6CCS(=O)(=O)CC6)c7cc(ccc7C2=O)Cl |
−8.7
± 0.7
|
| 454 |
EDJ-MED-33064c06-1_1
|
|
CC(C)(CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl)N |
−8.7
± 0.5
|
| 455 |
EDJ-MED-33064c06-1_1
|
|
CC(C)(CNC(=O)CN1C[C@]2(CCN(C2=O)c3c[nH+]cc4c3cccc4)c5cc(ccc5C1=O)Cl)N |
−8.7
± 0.5
|
| 456 |
EDG-MED-b1ef7fe3-3_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3ccc(c4)F)c5cc(ccc5C1=O)Cl |
−8.7
± 0.1
|
| 457 |
JOH-MSK-51c67e7d-2_2
|
|
C[N@H+]1Cc2ccc(cc2[C@]3(C1)CC(=O)N(C3=O)c4cncc5c4cccc5)Cl |
−8.6
± 0.3
|
| 458 |
MAT-POS-853c0ffa-8_1
|
|
COC1(CC1)CS(=O)(=O)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5c(cc(c6)F)Cl)Cl |
−8.6
± 0.8
|
| 459 |
PET-UNK-94036022-5_1
|
|
c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)Cl |
−8.6
± 0.8
|
| 460 |
LUO-POS-e1dab717-5_2
|
|
CNC(=O)C1(CC1)[N@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cc(cc6)OC)Cl |
−8.6
± 0.5
|
| 461 |
JOH-MSK-51c67e7d-2_1
|
|
C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CC(=O)N(C3=O)c4cncc5c4cccc5)Cl |
−8.6
± 0.5
|
| 462 |
JOH-MSK-51c67e7d-2_1
|
|
C[N@]1Cc2ccc(cc2[C@]3(C1)CC(=O)N(C3=O)c4cncc5c4cccc5)Cl |
−8.6
± 0.5
|
| 463 |
JOH-MSK-51c67e7d-1_1
|
|
C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CC(=O)N(C3=O)c4cncc5c4cccc5)Cl |
−8.6
± 0.5
|
| 464 |
JOH-MSK-51c67e7d-1_1
|
|
C[N@]1Cc2ccc(cc2[C@]3(C1)CC(=O)N(C3=O)c4cncc5c4cccc5)Cl |
−8.6
± 0.5
|
| 465 |
EDG-MED-b1ef7fe3-4_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3ccc(c4)Cl)c5cc(ccc5C1=O)Cl |
−8.6
± 0.1
|
| 466 |
LUO-POS-9931618f-1_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl |
−8.6
± 0.4
|
| 467 |
LUO-POS-9931618f-1_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3c[nH+]cc4c3cccc4)c5cc(ccc5C1=O)Cl |
−8.6
± 0.4
|
| 468 |
MIK-ENA-5d9157e9-2_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−8.6
± 0.8
|
| 469 |
MIK-ENA-5d9157e9-2_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−8.6
± 0.8
|
| 470 |
LUO-POS-8c3e556a-2_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cc(cc4)Cl)c5cc(ccc5C1=O)Cl |
−8.5
± 0.3
|
| 471 |
MIK-ENA-99706bb8-1_2
|
|
C[C@H]1CN(C(=O)[C@@]12C[N@](Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5c[nH+]cc6c5cccc6 |
−8.5
± 0.7
|
| 472 |
MIK-ENA-99706bb8-1_2
|
|
C[C@H]1CN(C(=O)[C@@]12C[N@](Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 |
−8.5
± 0.7
|
| 473 |
EDJ-MED-976a33d5-1_1
|
|
CNC(=O)C1(CC1)N2C[C@]3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl |
−8.5
± 0.3
|
| 474 |
EDJ-MED-976a33d5-1_1
|
|
CNC(=O)C1(CC1)N2C[C@]3(CCN(C3=O)c4c[nH+]cc5c4cccc5)c6cc(ccc6C2=O)Cl |
−8.5
± 0.3
|
| 475 |
EDJ-MED-b6c6ee2b-6_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cc(cc4)F)c5cc(ccc5C1=O)Cl |
−8.5
± 0.4
|
| 476 |
EDJ-MED-b6c6ee2b-6_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3c[nH+]cc4c3cc(cc4)F)c5cc(ccc5C1=O)Cl |
−8.5
± 0.4
|
| 477 |
ALP-POS-c3a90b22-11_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC(=O)NCC6CCC6 |
−8.5
± 0.3
|
| 478 |
ALP-POS-c3a90b22-11_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC(=O)NCC6CCC6 |
−8.5
± 0.3
|
| 479 |
EDJ-MED-33064c06-10_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC(=O)NCC6(CC6)CO |
−8.5
± 0.3
|
| 480 |
EDJ-MED-33064c06-10_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC(=O)NCC6(CC6)CO |
−8.5
± 0.3
|
| 481 |
PET-UNK-37c7074c-3_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6ccno6 |
−8.5
± 0.2
|
| 482 |
PET-UNK-37c7074c-3_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6ccno6 |
−8.5
± 0.2
|
| 483 |
ALP-POS-c3a90b22-10_1
|
|
CNC(=O)C1(CCOCC1)[N@@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−8.5
± 0.4
|
| 484 |
ALP-POS-c3a90b22-10_1
|
|
CNC(=O)C1(CCOCC1)[N@@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−8.5
± 0.4
|
| 485 |
ALP-POS-c3a90b22-10_1
|
|
CNC(=O)C1(CCOCC1)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5c[nH+]cc6c5cccc6)Cl |
−8.5
± 0.4
|
| 486 |
EDJ-MED-33064c06-18_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC(=O)NC6CC6 |
−8.5
± 0.3
|
| 487 |
EDJ-MED-33064c06-18_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC(=O)NC6CC6 |
−8.5
± 0.3
|
| 488 |
MAT-POS-94643566-1_1
|
|
c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)CCOc5c4cc(cc5)Cl |
−8.5
± 0.1
|
| 489 |
EDJ-MED-40e596c8-2_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@H+](Cc5c4cc(cc5)Cl)CS(=O)(=O)NCC6CC6 |
−8.4
± 0.8
|
| 490 |
EDJ-MED-40e596c8-2_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)CS(=O)(=O)NCC6CC6 |
−8.4
± 0.8
|
| 491 |
EDJ-MED-40e596c8-2_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)C[N@@H+](Cc5c4cc(cc5)Cl)CS(=O)(=O)NCC6CC6 |
−8.4
± 0.8
|
| 492 |
MAT-POS-853c0ffa-11_1
|
|
CC(C)(c1ccc2cncc(c2c1)N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N)O |
−8.4
± 0.8
|
| 493 |
MAT-POS-853c0ffa-11_1
|
|
CC(C)(c1ccc2c[nH+]cc(c2c1)N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N)O |
−8.4
± 0.8
|
| 494 |
MIK-ENA-794411b8-1_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl |
−8.4
± 0.3
|
| 495 |
MIK-ENA-794411b8-1_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3c[nH+]cc4c3cccc4)c5cc(ccc5C1=O)Cl |
−8.4
± 0.3
|
| 496 |
LUO-POS-9931618f-2_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl |
−8.4
± 0.3
|
| 497 |
LUO-POS-9931618f-2_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3c[nH+]cc4c3cccc4)c5cc(ccc5C1=O)Cl |
−8.4
± 0.3
|
| 498 |
MAT-POS-566864e2-4_1
|
|
CNC(=O)C1(CC1)[N@@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−8.4
± 0.6
|
| 499 |
MAT-POS-566864e2-4_1
|
|
CNC(=O)C1(CC1)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−8.4
± 0.6
|
| 500 |
MAT-POS-566864e2-4_1
|
|
CNC(=O)C1(CC1)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5c[nH+]cc6c5cccc6)Cl |
−8.4
± 0.6
|