| Rank |
Microstate |
SMILES |
ΔG / kcal M-1 |
| 1401 |
ALF-EVA-07677224-9_3
|
|
CC1(C[NH2+]C1)CS(=O)(=O)[N@@]2Cc3ccc(cc3[C@H](C2)C(=O)Nc4cncc5c4cccc5)Cl |
−7.5
± 0.3
|
| 1402 |
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 |
−7.5
± 0.3
|
| 1403 |
LON-WEI-9739a092-2_1
|
|
c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)Nc4ccc(cn4)C(F)(F)F |
−7.46
± 0.09
|
| 1404 |
DAR-DIA-0f7b7cd9-5_1
|
|
c1ccc2c(c1)cncc2n3cc(n(c3=O)Cc4cccc(c4)Cl)[O-] |
−7.5
± 0.2
|
| 1405 |
CHO-MSK-5891c1ff-6_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCN5CCOCC5=O |
−7.5
± 0.4
|
| 1406 |
EDJ-MED-e4b030d8-5_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4C5COC5)Cl |
−7.5
± 0.4
|
| 1407 |
NIR-WEI-acbd6416-2_1
|
|
C=C(c1cncc2c1cccc2)C(=O)[C@@H]3CCOc4c3cc(cc4)Cl |
−7.5
± 0.3
|
| 1408 |
MIC-UNK-d58dbb53-2_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)O[C@H]5CCS(=O)(=O)C5 |
−7.45
± 0.10
|
| 1409 |
DAR-DIA-0587064e-27_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCNc4c3cc(c(c4OCc5ccc(cc5Cl)F)F)Cl |
−7.4
± 0.2
|
| 1410 |
DAR-DIA-b4e9dd8d-5_2
|
|
COC(=O)/C=C/C(=O)N(c1cncc2c1cccc2)C(=O)[C@H]3CNc4c3cc(cc4)Cl |
−7.4
± 0.2
|
| 1411 |
EDG-MED-90036822-94_7
|
|
C[C@@H]1C[C@H]1[C@H]([C@@H](C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)F)O |
−7.4
± 0.5
|
| 1412 |
MIC-UNK-8758c41d-1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCS(=O)(=O)c4c3cc(c(c4)Cl)Cl |
−7.4
± 0.2
|
| 1413 |
EDJ-MED-b7309adf-2_1
|
|
c1cc2c(cc1Cl)cncc2NC(=O)[C@@H]3CCS(=O)(=O)c4c3cc(cc4)Cl |
−7.4
± 0.5
|
| 1414 |
EDG-MED-90036822-17_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H](CF)O |
−7.4
± 0.4
|
| 1415 |
ALP-POS-347519b5-3_27
|
|
CS(=O)(=O)[N@@]1C[C@H]2[C@@H]3CC[C@H]([C@H]2[C@@H](C1)C(=O)Nc4cncc5c4cccc5)O3 |
−7.4
± 0.2
|
| 1416 |
PAU-WEI-df8f33bc-1_1
|
|
CC(C)(C)c1ccc(cc1)N([C@@H](c2cncc3c2cccc3)C(=O)NCCc4cccc(c4)F)C(=O)c5ccco5 |
−7.4
± 0.3
|
| 1417 |
EDJ-MED-ee07cf00-11_6
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H](c3cccc(c3)Cl)NC(=O)[C@@H]4CC[C@H](O4)C(=O)N5CCCC5 |
−7.4
± 0.1
|
| 1418 |
DAR-DIA-0f2f46c9-1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CC[N@@](c4c3cc(cc4)Cl)S(=O)(=O)N |
−7.4
± 0.1
|
| 1419 |
EDJ-MED-fcba3f31-1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CO[C@@H]5CCCNC5=O |
−7.4
± 0.3
|
| 1420 |
BEN-DND-c852c98b-2_1
|
|
c1cc2cncc(c2cc1OC(F)(F)F)NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl |
−7.4
± 0.3
|
| 1421 |
NAU-LAT-356bd3c2-7_1
|
|
c1ccc2c(c1)cncc2OC(=O)c3cccc4c3cc[nH]4 |
−7.4
± 0.1
|
| 1422 |
PET-UNK-1b92fa34-1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CS(=O)(=O)Cc4c3cc(cc4)Cl |
−7.4
± 0.2
|
| 1423 |
MAT-POS-afd4d4fd-1_1
|
|
Cc1c(cccc1Cl)CC(=O)Nc2cncc3c2cccc3 |
−7.4
± 0.3
|
| 1424 |
VLA-UNK-f702bf1c-2_1
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)Cc6ccn[nH]6 |
−7.4
± 0.3
|
| 1425 |
MIC-UNK-9582b2c5-1_5
|
|
CC(=O)N1CC[C@@H]2[C@@H](C1)CN(C(=O)[C@H]2c3cccc(c3)Cl)c4cncc5c4cccc5 |
−7.4
± 0.3
|
| 1426 |
MAT-POS-dd3ad2b5-3_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3CN(Cc4c3cc(cc4)Cl)C(=O)N |
−7.44
± 0.10
|
| 1427 |
PET-UNK-55f647aa-2_1
|
|
CN(C)c1ccc(cn1)N(Cc2ccsc2)C(=O)Cc3cncc4c3cccc4 |
−7.4
± 0.3
|
| 1428 |
DAR-DIA-0d514e7d-31_12
|
|
C[C@H]1CCO[C@H]2C=CC(=C[C@@H]2[C@H]1C(=O)Nc3cncc4c3cccc4)Cl |
−7.4
± 0.2
|
| 1429 |
MIC-UNK-08fa0751-1_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3CCOc4c3cc(cc4C(CO)(F)F)Cl |
−7.4
± 0.2
|
| 1430 |
DAR-DIA-23e5a6a0-8_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4C[C@@H]5CC6([NH2+]5)COC6)Cl |
−7.4
± 0.4
|
| 1431 |
MAK-UNK-c749d764-16_13
|
|
C[C@@H](N(c1cncc2c1cccc2)C(=O)C[C@@H]3CCC[C@H]([C@H]3O)C(F)F)O |
−7.4
± 0.4
|
| 1432 |
ROB-UNI-322e8f70-2_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3CS(=O)(=O)Nc4c3cc(cc4)Cl |
−7.4
± 0.3
|
| 1433 |
MAT-POS-91829f0d-1_1
|
|
COc1ccccc1OCCNC(=O)c2cncc3c2cccc3 |
−7.4
± 0.4
|
| 1434 |
EDG-MED-ba1ac7b9-14_2
|
|
C[N@]1CCN(C[C@@H]1C#N)C(=O)C[C@@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−7.4
± 0.4
|
| 1435 |
LEE-CAM-7ab9b158-3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC(=O)Nc5[nH]ccn5 |
−7.42
± 0.10
|
| 1436 |
BEN-DND-c852c98b-4_2
|
|
c1cc2cncc(c2cc1O)NC(=O)[C@H]3CCOc4c3cc(cc4)Cl |
−7.42
± 0.10
|
| 1437 |
VLA-UNK-c65c1026-1_1
|
|
c1ccc2c(c1)cncc2N3CCC[C@@]4(C3=O)COc5c4cc(cc5)Cl |
−7.4
± 0.2
|
| 1438 |
BEN-DND-d1eb1f41-16_2
|
|
c1ccc2c(c1)cncc2N[C@H](Cc3ccc(c(c3)Cl)Cl)C(F)(F)F |
−7.4
± 0.2
|
| 1439 |
LON-WEI-4d77710c-7_2
|
|
Cn1cc(c2ccccc2c1=O)NC(=O)NCCC[N@H+]3CCc4ccccc4C3 |
−7.4
± 0.2
|
| 1440 |
ALP-UNI-8e43a71e-15_8
|
|
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 |
−7.4
± 0.2
|
| 1441 |
MAT-POS-1f3f1a6f-2_1
|
|
C[NH+](C)[C@@H](c1ccc(c(c1)Cl)Cl)C(=O)Nc2cncc3c2cccc3 |
−7.42
± 0.10
|
| 1442 |
EDJ-MED-40433386-4_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C5(CCC5)CO |
−7.4
± 0.2
|
| 1443 |
EDJ-MED-50011917-1_1
|
|
c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)C[C@@H]4CC(=O)N4 |
−7.41
± 0.09
|
| 1444 |
EDJ-MED-f893e2a1-10_1
|
|
CC(C)(CNC[C@@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)C#N |
−7.4
± 0.1
|
| 1445 |
MAT-POS-2492181e-10_2
|
|
C[C@H]1CCCC[N@@H+]1CCCNC(=O)Nc2cn(c(=O)c3c2cccc3)CC(C)C |
−7.4
± 0.2
|
| 1446 |
LON-WEI-5e7d1b3e-52_1
|
|
Cn1cc(c2ccccc2c1=O)NC(=O)NCCc3ccc(cc3)Cl |
−7.4
± 0.3
|
| 1447 |
MAT-POS-4223bc15-14_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3C[N@@](Cc4c3cc(cc4)Cl)S(=O)(=O)CC5C[NH2+]C5 |
−7.4
± 0.3
|
| 1448 |
ERI-UCB-b3e6b0c2-12_1
|
|
C[N@@]1C[C@H](c2c1ccc(c2)Cl)C(=O)Nc3cncc4c3ccc(c4)C[NH3+] |
−7.4
± 0.2
|
| 1449 |
EDG-MED-ba1ac7b9-18_1
|
|
C[C@@H]1Cn2c(ccn2)CN1C(=O)C[C@@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−7.41
± 0.09
|
| 1450 |
EDJ-MED-ee07cf00-5_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H](c3cccc(c3)Cl)NC(=O)CNC(=O)c4ccc(cc4)C#N |
−7.41
± 0.09
|
| 1451 |
EDJ-MED-4f704dc9-2_2
|
|
COC[C@]1(CC(=O)Nc2c1cc(c(c2)Cl)Cl)C(=O)Nc3cncc4c3cccc4 |
−7.4
± 0.1
|
| 1452 |
RAL-THA-05e671eb-21_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3CCOc4c3cccc4Cl |
−7.4
± 0.4
|
| 1453 |
MAT-POS-fc9ede84-1_1
|
|
CN(C)C(=O)COC[C@@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−7.40
± 0.09
|
| 1454 |
MAT-POS-b5746674-37_2
|
|
Cn1cc(c2ccccc2c1=O)NC(=O)N(Cc3ccco3)C[C@H]4CCCO4 |
−7.4
± 0.1
|
| 1455 |
PET-UNK-0cc03aae-4_2
|
|
C[N@@](CCO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)S(=O)(=O)C |
−7.4
± 0.2
|
| 1456 |
BEN-DND-a02b439d-14_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3C[NH2+]Cc4c3cc(c(c4)Cl)Cl |
−7.4
± 0.1
|
| 1457 |
DAR-DIA-0d514e7d-33_3
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3c4cc(ccc4O[C@@H]5[C@H]3C5)Cl |
−7.4
± 0.3
|
| 1458 |
ALP-POS-347519b5-2_23
|
|
CO[C@@]1(C[N@](C[C@H]2[C@@H]1[C@H]3CC[C@@H]2C3)S(=O)(=O)C)C(=O)Nc4cncc5c4cccc5 |
−7.4
± 0.3
|
| 1459 |
ALP-POS-347519b5-1_3
|
|
CS(=O)(=O)[N@@]1C[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2[C@@H](C1)C(=O)Nc4cncc5c4cccc5 |
−7.4
± 0.2
|
| 1460 |
ED_-GRI-5b13fbe2-15_2
|
|
C[N@](CC[NH3+])CCOCCO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−7.4
± 0.3
|
| 1461 |
KAD-UNI-8a629cb0-13_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CN5CCN(C5=O)C6CC6 |
−7.4
± 0.3
|
| 1462 |
MIC-UNK-5a93dd5f-9_4
|
|
CN(C)[C@H]1CC[N@H+](C1)[C@@H](c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
−7.4
± 0.3
|
| 1463 |
EDJ-MED-12f7f543-1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cn4)Cl |
−7.4
± 0.3
|
| 1464 |
RAL-THA-8416115c-7_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCN(c4c3cc(cc4)Cl)CC(=O)[O-] |
−7.4
± 0.5
|
| 1465 |
MAK-UNK-ffc90da7-6_1
|
|
C[C@@H](C[NH2+]CCCO)c1ccc2cncc(c2c1)NC(=O)Cc3cccc(c3)Cl |
−7.4
± 0.2
|
| 1466 |
DAR-DIA-ecdbc7dd-9_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCNc4c3cc(cc4)Cl)C[NH+]5CCC5 |
−7.4
± 0.1
|
| 1467 |
MIC-UNK-8758c41d-2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CNC(=O)c4c3cc(c(c4)Cl)Cl |
−7.4
± 0.2
|
| 1468 |
MIC-UNK-0a05c952-1_8
|
|
c1ccc2c(c1)cncc2N3[C@H](C[C@H](C3=O)c4cccc(c4)Cl)[C@H]5CO5 |
−7.4
± 0.2
|
| 1469 |
MAK-UNK-c749d764-15_13
|
|
C[C@@H](N(c1cncc2c1cccc2)C(=O)C[C@@H]3CCC[C@H]([C@H]3O)C(F)F)OCC4CCCCC4 |
−7.4
± 0.3
|
| 1470 |
MAK-UNK-c749d764-24_2
|
|
CCN(c1cncc2c1cccc2)C(=O)C[C@H]3CCC[C@@H]([C@@H]3O)C(F)F |
−7.4
± 0.2
|
| 1471 |
ALP-POS-347519b5-3_24
|
|
CS(=O)(=O)[N@]1C[C@H]2[C@H]3CC[C@@H]([C@H]2[C@@H](C1)C(=O)Nc4cncc5c4cccc5)O3 |
−7.4
± 0.3
|
| 1472 |
EDG-MED-ba1ac7b9-21_3
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@H]5Cn6ccnc6 |
−7.39
± 0.10
|
| 1473 |
MAT-POS-5d65ec79-2_2
|
|
CNC(=O)C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−7.39
± 0.09
|
| 1474 |
MAK-UNK-3875bbc8-3_1
|
|
CN(c1cncc2c1cccc2)C(=O)[C@@H]3CCOc4c3cccc4 |
−7.4
± 0.3
|
| 1475 |
ADA-UCB-dc2b944c-1_2
|
|
c1ccc2c(c1)cncc2N3C(=O)C[N@H+]([C@@]4(C3=O)CCOc5c4cc(cc5)Cl)CC6CCCCC6 |
−7.4
± 0.3
|
| 1476 |
RAL-THA-4aa06b95-5_2
|
|
COCC(=O)N1CC[C@H](c2c1ccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
−7.4
± 0.2
|
| 1477 |
DAR-DIA-0d514e7d-32_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3[C@@H]4C[C@@H]4CO[C@@H]5[C@@H]3C=C(C=C5)Cl |
−7.4
± 0.2
|
| 1478 |
EDJ-MED-ee07cf00-11_5
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H](c3cccc(c3)Cl)NC(=O)[C@@H]4CC[C@H](O4)C(=O)N5CCCC5 |
−7.4
± 0.3
|
| 1479 |
NAU-LAT-2fed8305-6_1
|
|
c1ccc2c(c1)cncc2NC(=O)Cc3ccc(s3)Cl |
−7.4
± 0.4
|
| 1480 |
EDJ-MED-00c1612e-1_1
|
|
COc1ccc2cncc(c2c1)NC(=O)Cc3cccc(c3)Cl |
−7.38
± 0.07
|
| 1481 |
JOH-UNI-6e27fddc-7_1
|
|
Cc1cccc2c1c(cnc2)NC(=S)[C@@]3(CCOc4c3cc(cc4)Cl)OC |
−7.4
± 0.4
|
| 1482 |
MAT-POS-9ff17035-3_1
|
|
c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)Oc4cccnc4 |
−7.38
± 0.07
|
| 1483 |
DAR-DIA-0d514e7d-12_1
|
|
C[C@H]1COc2c(cc(cc2[C@@H]1C(=O)Nc3cncc4c3cccc4)Cl)c5ccc(cc5F)F |
−7.4
± 0.3
|
| 1484 |
DAR-DIA-23e5a6a0-6_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4C[C@@H]5CCC6([NH2+]5)CCC6)Cl |
−7.4
± 0.2
|
| 1485 |
LON-WEI-4d77710c-35_3
|
|
Cc1ccc(cc1)C[N@@H+]2CC[C@H](C2)CNC(=O)Nc3cn(c(=O)c4c3cccc4)CC(C)C |
−7.4
± 0.1
|
| 1486 |
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 |
−7.4
± 0.3
|
| 1487 |
DAR-DIA-0cde14eb-57_1
|
|
C[C@@H](c1cccc(c1)C2(CC2)F)C(=O)Nc3cncc4c3cccc4 |
−7.4
± 0.2
|
| 1488 |
ALP-POS-966f8da6-1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCN(c4c3cc(cc4)Cl)Cc5cnc[nH]5 |
−7.4
± 0.3
|
| 1489 |
MAT-POS-e9e99895-13_1
|
|
C[C@@](c1ccc(c(c1)Cl)Cl)(C(=O)Nc2cncc3c2cccc3)NC(=O)[C@@H]4CC[N@@H+](C4)C |
−7.38
± 0.09
|
| 1490 |
EDG-MED-ba1ac7b9-1_4
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@H]5C(=O)N |
−7.4
± 0.2
|
| 1491 |
ALF-EVA-a24cc7ce-2_1
|
|
CN(c1cncc2c1cccc2)C(=O)[C@@H]3COc4c3cc(cc4)Cl |
−7.4
± 0.1
|
| 1492 |
EDJ-MED-e4b030d8-9_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3nc(cc4)Cl |
−7.4
± 0.4
|
| 1493 |
LON-WEI-4d77710c-35_1
|
|
Cc1ccc(cc1)C[N@@H+]2CC[C@@H](C2)CNC(=O)Nc3cn(c(=O)c4c3cccc4)CC(C)C |
−7.4
± 0.2
|
| 1494 |
EDJ-MED-1b5395f9-3_2
|
|
COc1ccc2cncc(c2c1)NC(=O)[C@H]3C[N@](Cc4c3cc(c(c4)Cl)Cl)S(=O)(=O)C |
−7.4
± 0.3
|
| 1495 |
DAR-DIA-0f2f46c9-14_1
|
|
CN(C)S(=O)(=O)[N@@]1CC[C@@H](c2c1ccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
−7.4
± 0.1
|
| 1496 |
ALP-UNI-0676e700-4_1
|
|
Cc1nc(on1)COCC(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−7.4
± 0.3
|
| 1497 |
ALP-UNI-8e43a71e-16_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCc5ccc(cc5)S(=O)(=O)N |
−7.37
± 0.10
|
| 1498 |
ALP-POS-fe871b40-12_2
|
|
CO[C@]1(CCNc2c1cc(c(c2)F)Cl)C(=O)Nc3cncc4c3cccc4 |
−7.4
± 0.2
|
| 1499 |
DAR-DIA-0d514e7d-32_14
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3[C@@H]4C[C@H]4CO[C@H]5[C@@H]3C=C(C=C5)Cl |
−7.4
± 0.2
|
| 1500 |
RAL-THA-4aa06b95-7_2
|
|
COCCN1CC[C@@H](c2c1ccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
−7.37
± 0.10
|