| Rank |
Microstate |
SMILES |
ΔG / kcal M-1 |
| 7501 |
PET-UNK-4dc48bbe-8_1
|
|
c1ccc2c(c1)cncc2n3c(c([nH]c3=O)c4ccc(cc4)Cl)[O-] |
−3.7
± 0.2
|
| 7502 |
LON-WEI-4d77710c-37_1
|
|
CCN(CC)S(=O)(=O)c1ccc(cc1)NC(=O)Nc2cn(c(=O)c3c2cccc3)C |
−3.7
± 0.5
|
| 7503 |
LAU-MED-88a3970a-12_1
|
|
C[NH2+]CCCc1cc(cc2c1OCC[C@@H]2C(=O)Nc3cncc4c3cccc4)Cl |
−3.7
± 0.5
|
| 7504 |
EN300-36851_2_3_1 |
|
C[C@@H]1C[C@H]1C(=O)NCCC(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−3.7
± 0.2
|
| 7505 |
JOH-UNI-ee5ed7c8-7_1
|
|
CN(c1cncc2c1cccc2)C(=O)[C@@H](CC#N)c3cccc(c3)Cl |
−3.7
± 0.3
|
| 7506 |
MAT-POS-b5746674-36_1
|
|
Cn1cc(c2ccccc2c1=O)NC(=O)N3CCN(CC3)C(=O)c4ccco4 |
−3.7
± 0.4
|
| 7507 |
LON-WEI-5e7d1b3e-37_1
|
|
CCN(CC)S(=O)(=O)c1ccc(cc1)NC(=O)Nc2cn(c(=O)c3c2cccc3)C |
−3.7
± 0.7
|
| 7508 |
EDG-MED-90036822-102_2
|
|
CC[NH+](CC)C[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)F |
−3.7
± 0.8
|
| 7509 |
LON-WEI-4d77710c-38_2
|
|
CCCCN(CCCNC(=O)Nc1cn(c(=O)c2c1cccc2)CC(C)C)c3ccccc3 |
−3.7
± 0.7
|
| 7510 |
LON-WEI-4d77710c-34_2
|
|
CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)N3CC[C@H](C3)c4ccccc4 |
−3.6
± 0.5
|
| 7511 |
VLA-UCB-50c39ae8-4_1
|
|
CC(=O)N1CC[NH+](CC1)CC(=O)N(c2cncc3c2cccc3)C(=O)[C@@H]4CCOc5c4cc(cc5)Cl |
−3.6
± 0.4
|
| 7512 |
MAT-POS-b5746674-108_4
|
|
Cc1ccc(cc1)C[N@H+]2CC[C@H](C2)CNC(=O)Nc3cn(c(=O)c4c3cccc4)CC(C)C |
−3.6
± 0.7
|
| 7513 |
ALP-UNI-0676e700-14_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cnc6c(cnn6c5)C#N |
−3.6
± 0.2
|
| 7514 |
MAT-POS-b5746674-35_2
|
|
Cn1cc(c2ccccc2c1=O)NC(=O)NCC[N@H+](Cc3ccco3)C4CCCC4 |
−3.6
± 0.6
|
| 7515 |
MAK-UNK-c749d764-3_1
|
|
CC1(C[NH2+]C1)OCN(c2cncc3c2cccc3)C(=O)C[C@@H]4CCC[C@@H]([C@@H]4O)C(F)F |
−3.6
± 0.6
|
| 7516 |
EN300-1387104_2_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H]5CCS5(=O)=O |
−3.6
± 0.2
|
| 7517 |
EN300-52325_2_1_1 |
|
CCCS(=O)(=O)CC(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−3.6
± 0.2
|
| 7518 |
EN300-146051_2_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5ccc(nc5)CO |
−3.5
± 0.2
|
| 7519 |
MAK-UNK-c749d764-24_4
|
|
CCN(c1cncc2c1cccc2)C(=O)C[C@H]3CCC[C@H]([C@@H]3O)C(F)F |
−3.5
± 0.4
|
| 7520 |
MAT-POS-b5746674-99_1
|
|
CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)N3CCN(CC3)c4ccccn4 |
−3.5
± 0.7
|
| 7521 |
EN300-305454_2_1_1 |
|
Cn1cc(cn1)[C@@H]2CCO[C@@H]2C(=O)NC[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−3.5
± 0.2
|
| 7522 |
EN300-7431629_3_2_2 |
|
C[C@H]1NN[C@@H]2[N@H+]1CC[C@]2(C)C(=O)NCC[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−3.5
± 0.6
|
| 7523 |
MAT-POS-b5746674-103_1
|
|
CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)N3CCN(CC3)c4ccccc4F |
−3.4
± 0.6
|
| 7524 |
LON-WEI-4d77710c-20_1
|
|
CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)NCCc3c[nH]c4c3cccc4 |
−3.4
± 0.7
|
| 7525 |
MAK-UNK-c749d764-16_9
|
|
C[C@@H](N(c1cncc2c1cccc2)C(=O)C[C@@H]3CCC[C@@H]([C@H]3O)C(F)F)O |
−3.4
± 0.5
|
| 7526 |
ALP-UNI-0676e700-2_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CCNC(=O)[C@H]5CCCO5 |
−3.4
± 0.2
|
| 7527 |
EN300-31210_4_2_1 |
|
C[C@H](C(=O)NCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NS(=O)(=O)C |
−3.4
± 0.4
|
| 7528 |
EN300-368758_2_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cn(nn5)C[C@@H]6CCCO6 |
−3.4
± 0.2
|
| 7529 |
LON-WEI-5e7d1b3e-53_2
|
|
CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)N3CCC[N@H+](C3)Cc4ccccc4F |
−3.4
± 0.7
|
| 7530 |
MAK-UNK-c749d764-28_3
|
|
c1ccc2c(c1)cncc2N(C=O)C(=O)C[C@@H]3CCC[C@H]([C@@H]3O)C(F)F |
−3.4
± 0.4
|
| 7531 |
LON-WEI-5e7d1b3e-34_1
|
|
CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)N3CC[C@@H](C3)c4ccccc4 |
−3.3
± 0.7
|
| 7532 |
PET-UNK-4dc48bbe-6_1
|
|
c1ccc2c(c1)cncc2n3c(c([nH]c3=O)c4cccc(c4)Cl)[O-] |
−3.3
± 0.2
|
| 7533 |
EN300-195855_2_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5ccc(cn5)n6cncn6 |
−3.3
± 0.2
|
| 7534 |
EN300-195855_2_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5ccc(cn5)n6cncn6 |
−3.3
± 0.2
|
| 7535 |
EN300-260418_3_1_4 |
|
C[N@@H+]1[C@H](N[C@H]([NH2+]1)C2CC2)CC(=O)NCC[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−3.3
± 0.9
|
| 7536 |
EDG-MED-971238d3-10_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)[O-] |
−3.3
± 0.2
|
| 7537 |
MAK-UNK-c749d764-15_12
|
|
C[C@H](N(c1cncc2c1cccc2)C(=O)C[C@H]3CCC[C@@H]([C@H]3O)C(F)F)OCC4CCCCC4 |
−3.3
± 0.5
|
| 7538 |
EN300-1253122_4_1_1 |
|
CCN(C)C(=O)COCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−3.3
± 0.4
|
| 7539 |
EN300-1253122_4_1_1 |
|
CCN(C)C(=O)COCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−3.3
± 0.4
|
| 7540 |
EN300-716207_2_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cn(nn5)C(CO)(F)F |
−3.3
± 0.2
|
| 7541 |
EN300-7431365_2_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cc6n(c5)CCCNC6=O |
−3.3
± 0.2
|
| 7542 |
ALP-POS-5bb456a5-1_4
|
|
C[C@H]1C[N@](CC[C@@H]1NC(=O)C[C@@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)S(=O)(=O)C |
−3.3
± 0.4
|
| 7543 |
LON-WEI-4d77710c-16_1
|
|
CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)NCC[NH+]3CCOCC3 |
−3.3
± 0.7
|
| 7544 |
LON-WEI-5e7d1b3e-22_1
|
|
CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)Nc3cccnc3 |
−3.3
± 0.4
|
| 7545 |
VLA-UCB-1dbca3b4-17_2
|
|
c1ccc2c(c1)cncc2n3c(c([nH]c3=O)c4cccc(c4)Cl)[O-] |
−3.2
± 0.2
|
| 7546 |
LON-WEI-5e7d1b3e-44_1
|
|
CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)NCc3ccco3 |
−3.2
± 0.4
|
| 7547 |
MAT-POS-b5746674-108_2
|
|
Cc1ccc(cc1)C[N@H+]2CC[C@@H](C2)CNC(=O)Nc3cn(c(=O)c4c3cccc4)CC(C)C |
−3.2
± 0.6
|
| 7548 |
EN300-2690393_2_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cc(cnc5)n6cnnn6 |
−3.1
± 0.2
|
| 7549 |
EN300-314455_2_1_1 |
|
CS(=O)(=O)[N@]1CCC[C@@H](C1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−3.1
± 0.2
|
| 7550 |
LON-WEI-5e7d1b3e-49_1
|
|
Cn1cc(c2ccccc2c1=O)NC(=O)NCc3ccccn3 |
−3.1
± 0.4
|
| 7551 |
MAK-UNK-c749d764-10_5
|
|
CSN(c1cncc2c1cccc2)C(=O)C[C@@H]3CCC[C@@H]([C@H]3O)C(F)F |
−3.1
± 0.6
|
| 7552 |
MAT-POS-b5746674-108_3
|
|
Cc1ccc(cc1)C[N@@H+]2CC[C@H](C2)CNC(=O)Nc3cn(c(=O)c4c3cccc4)CC(C)C |
−3.1
± 0.8
|
| 7553 |
EDG-MED-ba1ac7b9-15_2
|
|
C[C@H]1C[N@@H+](CCN1C(=O)C[C@@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C |
−3.1
± 0.7
|
| 7554 |
MAT-POS-b5746674-35_1
|
|
Cn1cc(c2ccccc2c1=O)NC(=O)NCC[N@@H+](Cc3ccco3)C4CCCC4 |
−3.1
± 0.7
|
| 7555 |
LON-WEI-5e7d1b3e-35_2
|
|
Cc1ccc(cc1)C[N@H+]2CC[C@@H](C2)CNC(=O)Nc3cn(c(=O)c4c3cccc4)CC(C)C |
−3.1
± 0.7
|
| 7556 |
MAK-UNK-c749d764-3_4
|
|
CC1(C[NH2+]C1)OCN(c2cncc3c2cccc3)C(=O)C[C@H]4CCC[C@H]([C@@H]4O)C(F)F |
−3.1
± 0.7
|
| 7557 |
NAU-LAT-4ce8bf23-2_1
|
|
c1ccc2c(c1)cncc2N(CCC(=O)N)C(=O)Cc3cccc(c3)Cl |
−3.0
± 0.4
|
| 7558 |
EN300-31183_2_2_1 |
|
C[C@H](C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)COC |
−3.0
± 0.2
|
| 7559 |
LON-WEI-4d77710c-35_4
|
|
Cc1ccc(cc1)C[N@H+]2CC[C@H](C2)CNC(=O)Nc3cn(c(=O)c4c3cccc4)CC(C)C |
−3.0
± 0.6
|
| 7560 |
LON-WEI-5e7d1b3e-13_1
|
|
CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)NC[C@@H]3CCCO3 |
−3.0
± 0.5
|
| 7561 |
MAK-UNK-c749d764-20_7
|
|
CCCN(c1cncc2c1cccc2)C(=O)C[C@@H]3CCC[C@H]([C@H]3O)C(F)F |
−3.0
± 0.6
|
| 7562 |
EDJ-MED-d203f206-21_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@H](C5)c6n[n-]nn6 |
−3.0
± 0.4
|
| 7563 |
LON-WEI-4d77710c-56_1
|
|
CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)Nc3ccsc3C(=O)OC |
−3.0
± 0.5
|
| 7564 |
MAT-POS-b5746674-110_1
|
|
CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)N3CC[NH+](CC3)Cc4ccccc4 |
−3.0
± 0.8
|
| 7565 |
EN300-6477475_2_1_1 |
|
COCc1cc(no1)CC(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−3.0
± 0.2
|
| 7566 |
EN300-366852_1_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@H](C5)c6n[n-]nn6 |
−2.9
± 0.3
|
| 7567 |
EN300-88656_2_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H]5CCCS5(=O)=O |
−2.9
± 0.2
|
| 7568 |
EN300-385132_1_1_4 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@@H]5[NH2+][NH2+][C@@H](N5)C6CCOCC6 |
−2.9
± 0.9
|
| 7569 |
MAT-POS-2492181e-10_3
|
|
C[C@@H]1CCCC[N@H+]1CCCNC(=O)Nc2cn(c(=O)c3c2cccc3)CC(C)C |
−2.9
± 0.7
|
| 7570 |
MAK-UNK-c749d764-20_8
|
|
CCCN(c1cncc2c1cccc2)C(=O)C[C@H]3CCC[C@H]([C@H]3O)C(F)F |
−2.9
± 0.4
|
| 7571 |
MAT-POS-2905de8c-1_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)[NH3+] |
−2.9
± 0.3
|
| 7572 |
MAK-UNK-c749d764-20_4
|
|
CCCN(c1cncc2c1cccc2)C(=O)C[C@H]3CCC[C@H]([C@@H]3O)C(F)F |
−2.9
± 0.5
|
| 7573 |
MAT-POS-2492181e-10_1
|
|
C[C@@H]1CCCC[N@@H+]1CCCNC(=O)Nc2cn(c(=O)c3c2cccc3)CC(C)C |
−2.9
± 0.7
|
| 7574 |
EN300-685492_2_1_1 |
|
COCc1[nH]c(=O)c(cn1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−2.9
± 0.3
|
| 7575 |
EN300-24014_2_1_1 |
|
CS(=O)(=O)[N@@]1CCCC[C@@H]1C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−2.8
± 0.3
|
| 7576 |
ALP-UNI-0676e700-13_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5ccc(nc5)S(=O)(=O)N |
−2.8
± 0.3
|
| 7577 |
VLA-UCB-05e51b3f-7_1
|
|
CC(=O)N1CC[NH+](CC1)CC(=O)N(c2cncc3c2cccc3)C(=O)[C@H]4CCOc5c4cc(cc5)Cl |
−2.8
± 0.6
|
| 7578 |
ALP-POS-5bb456a5-1_1
|
|
C[C@@H]1C[N@@](CC[C@@H]1NC(=O)C[C@@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)S(=O)(=O)C |
−2.7
± 0.4
|
| 7579 |
LON-WEI-5e7d1b3e-7_2
|
|
Cn1cc(c2ccccc2c1=O)NC(=O)NCCC[N@H+]3CCc4ccccc4C3 |
−2.7
± 0.5
|
| 7580 |
MAK-UNK-c749d764-21_8
|
|
CCCCN(c1cncc2c1cccc2)C(=O)C[C@H]3CCC[C@H]([C@H]3O)C(F)F |
−2.7
± 0.4
|
| 7581 |
ALP-UNI-0676e700-25_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cc6nccn6c(=O)[nH]5 |
−2.7
± 0.2
|
| 7582 |
EDJ-MED-4c7486ba-12_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@]5(CCSC5)O |
−2.7
± 0.2
|
| 7583 |
MAT-POS-281d2ee9-3_1
|
|
c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)c4n[n-]nn4 |
−2.7
± 0.3
|
| 7584 |
MAK-UNK-c749d764-19_5
|
|
c1ccc2c(c1)cncc2N(C[NH3+])C(=O)C[C@@H]3CCC[C@@H]([C@H]3O)C(F)F |
−2.7
± 0.5
|
| 7585 |
JOH-UNI-a38a7bdd-6_1
|
|
c1ccc2c(c1)cncc2N(C(=O)Cc3cccc(c3)Cl)C(=O)[C@@H]4C[C@@H]4C(F)(F)F |
−2.7
± 0.4
|
| 7586 |
MAT-POS-b5746674-100_1
|
|
CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)NCCCN3CCCC3=O |
−2.6
± 0.7
|
| 7587 |
MAT-POS-b5746674-97_1
|
|
CCOC(=O)N1CCC(CC1)NC(=O)Nc2cn(c(=O)c3c2cccc3)C |
−2.6
± 0.6
|
| 7588 |
MAK-UNK-c749d764-15_8
|
|
C[C@H](N(c1cncc2c1cccc2)C(=O)C[C@H]3CCC[C@H]([C@@H]3O)C(F)F)OCC4CCCCC4 |
−2.6
± 0.6
|
| 7589 |
EDG-MED-ba1ac7b9-12_3
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@H]5c6n[n-]nn6 |
−2.6
± 0.4
|
| 7590 |
EN300-118045_2_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cnc([nH]c5=O)C6CC6 |
−2.5
± 0.2
|
| 7591 |
LON-WEI-5e7d1b3e-35_3
|
|
Cc1ccc(cc1)C[N@@H+]2CC[C@H](C2)CNC(=O)Nc3cn(c(=O)c4c3cccc4)CC(C)C |
−2.5
± 0.6
|
| 7592 |
MAK-UNK-c749d764-20_1
|
|
CCCN(c1cncc2c1cccc2)C(=O)C[C@@H]3CCC[C@@H]([C@@H]3O)C(F)F |
−2.5
± 0.4
|
| 7593 |
EN300-7430501_2_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H]5CCn6c(cnn6)C5 |
−2.5
± 0.1
|
| 7594 |
EN300-7430501_2_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H]5CCn6c(cnn6)C5 |
−2.5
± 0.1
|
| 7595 |
EN300-255086_2_1_1 |
|
C[NH+](C)CCn1cc(cn1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−2.4
± 0.3
|
| 7596 |
MAK-UNK-c749d764-3_7
|
|
CC1(C[NH2+]C1)OCN(c2cncc3c2cccc3)C(=O)C[C@@H]4CCC[C@H]([C@H]4O)C(F)F |
−2.4
± 0.6
|
| 7597 |
MAK-UNK-c749d764-24_3
|
|
CCN(c1cncc2c1cccc2)C(=O)C[C@@H]3CCC[C@H]([C@@H]3O)C(F)F |
−2.4
± 0.4
|
| 7598 |
MAK-UNK-c749d764-19_6
|
|
c1ccc2c(c1)cncc2N(C[NH3+])C(=O)C[C@H]3CCC[C@@H]([C@H]3O)C(F)F |
−2.4
± 0.4
|
| 7599 |
MAK-UNK-c749d764-16_3
|
|
C[C@@H](N(c1cncc2c1cccc2)C(=O)C[C@H]3CCC[C@@H]([C@@H]3O)C(F)F)O |
−2.4
± 0.6
|
| 7600 |
ALP-POS-5bb456a5-2_6
|
|
C[C@H]1C[N@@](CC[C@H]1NC(=O)C[C@@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)S(=O)(=O)C |
−2.4
± 0.5
|