| MCULE-5273736566 |
0.74 |
CC(NC(C(N1CC(Cl)=CCC1)=O)CC1C2C=CC=CC=2NC=1)=O
|
|
| MolPort-002-730-008 |
0.73 |
CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)NCC=C
|
|
| MCULE-3854880972 |
0.73 |
C1(CC(NC(C)=O)C(NCC=C)=O)C2=CC=CC=C2NC=1
|
|
| MolPort-044-637-434 |
0.72 |
C\C=C1/N(C)C(=O)C(CC2=CNC3=CC=CC=C23)NC1=O
|
|
| MCULE-6470705985 |
0.72 |
C1C=C2C(=CNC2=CC=1)CC1C(=O)N(C)/C(=C\C)/C(=O)N1
|
|
| MCULE-9949335632 |
0.71 |
N1(CCNC(=O)[C@H](CC2C=CC=CC=2)NC([C@H](C)NC(=O)[C@@H](CC2C3C=CC=CC=3NC=2)NC(=O)[C@H]1C)=O)C(C)=O
|
|
| MCULE-9911117087 |
0.71 |
N1(CCNC(=O)[C@H](CC2C=CC=CC=2)NC([C@H](C)NC(=O)[C@@H](CC2C3C=CC=CC=3NC=2)NC(=O)[C@H]1C)=O)C([C@@H](C)N)=O
|
|
| MCULE-8477801890 |
0.71 |
N1(C)[C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NCCN(C([C@@H](C)N)=O)CC(=O)N[C@@H](CC2C3C=CC=CC=3NC=2)C1=O
|
|
| MCULE-3844000941 |
0.71 |
N1(C)[C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NCCN(C([C@H](C)N)=O)CC(=O)N[C@@H](CC2C3C=CC=CC=3NC=2)C1=O
|
|
| MCULE-2614825858 |
0.71 |
N1[C@H](CC2C3C=CC=CC=3NC=2)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCCN[C@H](C)C1=O)CC1=CC=CC=C1
|
|
| MCULE-5119498193 |
0.71 |
CC([C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CC2C3C(=CC=CC=3)NC=2)C(=O)N[C@@H](C)C(=O)NCC(=O)N1)C
|
|
| MCULE-1751912707 |
0.71 |
N1(C)[C@@H](C)C(=O)N[C@@H](CC2C=CC=CC=2)C(=O)NCCN(C(=O)CC(C)C)CC(=O)N[C@@H](CC2C3C=CC=CC=3NC=2)C1=O
|
|
| MCULE-3400805331 |
0.71 |
N1(C)[C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NCCN(C(C)=O)CC(=O)N[C@@H](CC2C3C=CC=CC=3NC=2)C1=O
|
|
| MCULE-8634614511 |
0.71 |
N1(C)[C@@H](C)C(=O)N[C@@H](CC2C=CC=CC=2)C(=O)NCCNCC(=O)N[C@@H](CC2C3C=CC=CC=3NC=2)C1=O
|
|
| MCULE-8942824250 |
0.71 |
CC(C(NC(C(NCC(C(=O)O)(C)C)=O)CC1C2C=CC=CC=2NC=1)=O)C
|
|
| MCULE-2003606700 |
0.71 |
CC(C(NC(C(N(CC(C(=O)O)C)C)=O)CC1C2C=CC=CC=2NC=1)=O)C
|
|
| MCULE-2513225991 |
0.71 |
CC(C(NC(C(NCC(C(=O)O)C)=O)CC1C2C=CC=CC=2NC=1)=O)C
|
|
| MCULE-3377980735 |
0.71 |
CC(C(NC(C(NCCC(=O)O)=O)CC1C2C=CC=CC=2NC=1)=O)C
|
|
| MCULE-9521019367 |
0.71 |
CCN(C(C(NC(C(C)C)=O)CC1C2C=CC=CC=2NC=1)=O)CCC(=O)O
|
|
| MCULE-7319582372 |
0.71 |
N(C)[C@@H](C(C)(C1=CC=CC=C1)C)C(=O)N[C@@H](C(C)(C)C)C(=O)N(C)[C@@H](C(C)C)C=C(C)C(=O)O
|
|
| MCULE-8054198749 |
0.71 |
C(C)(C)(C)[C@H](NC([C@H](C(C1C=CC=CC=1)(C)C)NC)=O)C(N([C@@H](C(C)C)/C=C(/C(O)=O)\C)C)=O
|
|
| MolPort-045-915-839 |
0.71 |
C[C@H](N)C(=O)N1CCNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CC2=CNC3=CC=CC=C23)NC(=O)C1
|
|
| MolPort-046-570-426 |
0.71 |
C[C@H]1NCCNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](C)NC(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC1=O
|
|
| MolPort-046-570-059 |
0.71 |
C[C@@H](N)C(=O)N1CCNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](C)NC(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC(=O)[C@H]1C
|
|
| MolPort-046-568-415 |
0.71 |
C[C@@H]1NC(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC(=O)[C@@H](C)N(CCNC(=O)[C@H](CC2=CC=CC=C2)NC1=O)C(C)=O
|
|
| MolPort-045-941-605 |
0.71 |
C[C@@H](N)C(=O)N1CCNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CC2=CNC3=CC=CC=C23)NC(=O)C1
|
|
| MolPort-045-915-044 |
0.71 |
C[C@@H]1N(C)C(=O)[C@H](CC2=CNC3=CC=CC=C23)NC(=O)CNCCNC(=O)[C@H](CC2=CC=CC=C2)NC1=O
|
|
| MolPort-039-139-820 |
0.71 |
CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](\C=C(/C)C(O)=O)C(C)C)C(C)(C)C)C(C)(C)C1=CC=CC=C1
|
|
| MolPort-039-195-421 |
0.70 |
CN1C=C(C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N2CCCC2)C2=CC=CC=C12
|
|
| MolPort-045-933-643 |
0.70 |
COCCC(=O)N1CCNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CC2=CNC3=CC=CC=C23)NC(=O)C1
|
|
| MolPort-046-417-075 |
0.70 |
Cl.CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](\C=C(/C)C(O)=O)C(C)C)C(C)(C)C)C(C)(C)C1=CC=CC=C1
|
|
| MolPort-046-418-221 |
0.70 |
OC(=O)C(F)(F)F.CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](\C=C(/C)C(O)=O)C(C)C)C(C)(C)C)C(C)(C)C1=CC=CC=C1
|
|
| MCULE-4613413121 |
0.70 |
N1(C)[C@@H](C)C(=O)N[C@@H](CC2C=CC=CC=2)C(=O)NCCN(C(=O)CN2CCCCCCC2)CC(=O)N[C@@H](CC2C3C=CC=CC=3NC=2)C1=O
|
|
| MCULE-8030620176 |
0.70 |
CNC([C@@H](NC([C@H](N)C)=O)CC1C2C=CC=CC=2NC=1)=O
|
|
| MCULE-3790465043 |
0.70 |
CNC([C@@H](NC(CNC([C@H](C(C)C)N)=O)=O)CC1C2C=CC=CC=2NC=1)=O
|
|
| MCULE-8421936292 |
0.70 |
CC(C(NC(C(NC(C(C(=O)O)C)C)=O)CC1C2C=CC=CC=2NC=1)=O)C
|
|
| MCULE-7011593267 |
0.70 |
CC(NC(C(NC(C(C)C)=O)CC1C2C=CC=CC=2NC=1)=O)CC(=O)O
|
|
| MCULE-6699801363 |
0.70 |
CC(C(NC(C(NC(C(=O)O)C)=O)CC1C2C=CC=CC=2NC=1)=O)C
|
|
| MCULE-4679212703 |
0.70 |
N1(C)[C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NCCN(C(=O)CCOC)CC(=O)N[C@@H](CC2C3C=CC=CC=3NC=2)C1=O
|
|
| MCULE-1155874204 |
0.70 |
C1(C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N2CCCC2)C2C=CC=CC=2N(C)C=1
|
|
| MCULE-4366806420 |
0.70 |
Cl[H].C(C)(C)(C)[C@H](NC([C@H](C(C1C=CC=CC=1)(C)C)NC)=O)C(N([C@@H](C(C)C)/C=C(/C(O)=O)\C)C)=O
|
|
| MCULE-9642029370 |
0.70 |
C(O)(=O)C(F)(F)F.C(C)(C)(C)[C@H](NC([C@H](C(C1C=CC=CC=1)(C)C)NC)=O)C(N([C@@H](C(C)C)/C=C(/C(O)=O)\C)C)=O
|
|
| MCULE-8435012423 |
0.70 |
CN(C(C(NC(=O)C)CC1C2C=CC=CC=2NC=1)=O)CCC(=O)O
|
|
| MCULE-4848792822 |
0.70 |
CCN(C(C(NC(=O)C)CC1C2C=CC=CC=2NC=1)=O)CCC(=O)O
|
|
| MCULE-4495051546 |
0.70 |
CC(NC(C(NCC(C(=O)O)(C)C)=O)CC1C2C=CC=CC=2NC=1)=O
|
|
| MCULE-3783341065 |
0.70 |
CC(C(=O)O)CN(C(C(NC(=O)C)CC1C2C=CC=CC=2NC=1)=O)C
|
|
| MCULE-4778320738 |
0.70 |
CC(NC(C(NCCC(=O)O)=O)CC1C2C=CC=CC=2NC=1)=O
|
|
| MCULE-1357183405 |
0.70 |
CC(C(=O)O)CNC(C(NC(=O)C)CC1C2C=CC=CC=2NC=1)=O
|
|
| MCULE-8781580992 |
0.70 |
CCCNC(CNC([C@H](CC1C2C=CC=CC=2NC=1)N)=O)=O
|
|
| MCULE-3112801486 |
0.70 |
N1C(CC2C3C=CC=CC=3NC=2)C(=O)NC(CC2C3C=CC=CC=3NC=2)C1=O
|
|
| MCULE-8347059196 |
0.70 |
N1[C@@H](CC2C3C=CC=CC=3NC=2)C(=O)N[C@@H](CC2C3C=CC=CC=3NC=2)C1=O
|
|
| MCULE-6197998298 |
0.70 |
N1[C@H](C(C)C)C(=O)N[C@H](CC2C3C=CC=CC=3NC=2)C1=O
|
|
| MCULE-2397718100 |
0.70 |
N1(CCC2=CC=CC=C2)CC(=O)N[C@@]([H])(CC2C3C=CC=CC=3NC=2)C1=O
|
|
| MCULE-8951069276 |
0.70 |
C12C=CC=CC=1NC=C2C[C@@H]1NC([C@H](CC2=CNC3C=CC=CC2=3)NC1=O)=O
|
|
| MCULE-7605817846 |
0.70 |
N1[C@@H](C(C)C)C(=O)N[C@@H](CC2C3C=CC=CC=3NC=2)C1=O
|
|
| MCULE-3487078025 |
0.70 |
C1(C(=O)NC(C(=O)N1)CC1C=CC=CC=1)CC1C2C(=CC=CC=2)NC=1
|
|
| MCULE-4168758076 |
0.70 |
C=CCNC(=O)[C@@H]1CC2=CN(C3C=CC=C([C@@H](N1)CC(C)C)C2=3)CC1CC1
|
|
| MCULE-6300638254 |
0.70 |
C1(C)(C)C(C1(C)C)C(=O)N1CCNC(=O)[C@H](CC2=CC=CC=C2)NC([C@H](C)N(C)C(=O)[C@H](CC2C3C=CC=CC=3NC=2)NC(=O)C1)=O
|
|
| MCULE-1470600418 |
0.70 |
N1(CCNC(=O)[C@H](CC2=CC=CC=C2)NC([C@H](C)NC(=O)[C@@H](CC2C3C=CC=CC=3NC=2)NC(=O)[C@H]1C)=O)C(C1CCC1)=O
|
|
| MCULE-8110234565 |
0.70 |
CC(C(=O)O)N(C(CCC1C2C=CC=CC=2N(C)C=1)=O)CCNC(=O)C
|
|
| MCULE-4464834673 |
0.70 |
N1(C)[C@@H](C)C(=O)N[C@@H](CC2C=CC=CC=2)C(=O)NCCN(C(C2CCC2)=O)CC(=O)N[C@@H](CC2C3C=CC=CC=3NC=2)C1=O
|
|
| MCULE-7613027188 |
0.70 |
CCC(C(=O)O)NC(C(NC(C(C)C)=O)CC1C2C=CC=CC=2NC=1)=O
|
|
| MCULE-8046387662 |
0.70 |
CCC(C(=O)O)NC(C(NC(=O)C)CC1C2C=CC=CC=2NC=1)=O
|
|
| MCULE-6457832822 |
0.70 |
N1(C)[C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NCCN(C(=O)C2CC2)CC(=O)N[C@@H](CC2C3C=CC=CC=3NC=2)C1=O
|
|
| MolPort-038-996-791 |
0.70 |
CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)NCCC(O)=O
|
|
| MolPort-001-740-132 |
0.70 |
O=C1NC(CC2=CNC3=CC=CC=C23)C(=O)NC1CC1=CNC2=CC=CC=C12
|
|
| MolPort-045-922-693 |
0.70 |
CC(C)[C@@H]1NC(=O)[C@H](CC2=CNC3=CC=CC=C23)NC1=O
|
|
| MolPort-002-524-436 |
0.70 |
O=C1N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)N[C@H]1CC1=CNC2=CC=CC=C12
|
|
| MolPort-046-766-835 |
0.70 |
O=C1N[C@H](CC2=CNC3=CC=CC=C23)C(=O)N[C@@H]1CC1=CNC2=CC=CC=C12
|
|
| MolPort-044-706-433 |
0.70 |
CC(C)[C@H]1NC(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC1=O
|
|
| MolPort-002-515-849 |
0.70 |
O=C1CN(CCC2=CC=CC=C2)C(=O)[C@H](CC2=CNC3=CC=CC=C23)N1
|
|
| MolPort-001-739-319 |
0.70 |
O=C1NC(CC2=CC=CC=C2)C(=O)NC1CC1=CNC2=CC=CC=C12
|
|
| MolPort-046-567-121 |
0.70 |
C[C@@H]1NC(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC(=O)[C@@H](C)N(CCNC(=O)[C@H](CC2=CC=CC=C2)NC1=O)C(=O)C1CCC1
|
|
| MolPort-019-934-779 |
0.70 |
CC(C)C[C@@H]1N[C@@H](CC2=CN(CC3CC3)C3=CC=CC1=C23)C(=O)NCC=C
|
|
| MolPort-045-917-761 |
0.70 |
C[C@@H]1N(C)C(=O)[C@H](CC2=CNC3=CC=CC=C23)NC(=O)CN(CCNC(=O)[C@H](CC2=CC=CC=C2)NC1=O)C(=O)C1C(C)(C)C1(C)C
|
|
| MolPort-041-848-286 |
0.70 |
CCC(NC(=O)C(CC1=CNC2=CC=CC=C12)NC(C)=O)C(O)=O
|
|
| MolPort-019-934-886 |
0.69 |
CC(C)C[C@@H]1N[C@@H](CC2=CN(CC=C)C3=CC=CC1=C23)C(=O)NCC=C
|
|
| MolPort-045-915-127 |
0.69 |
C[C@@H]1N(C)C(=O)[C@H](CC2=CNC3=CC=CC=C23)NC(=O)CN(CCNC(=O)[C@H](CC2=CC=CC=C2)NC1=O)C(=O)[C@@H]1CCCCN1
|
|
| MolPort-041-632-450 |
0.69 |
CC(CNC(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)C(C)C)CC(O)=O
|
|
| MolPort-046-568-062 |
0.69 |
C[C@@H]1NC(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC(=O)[C@@H](C)N(CCNC(=O)[C@H](CC2=CC=CC=C2)NC1=O)C(=O)CO
|
|
| MolPort-001-749-278 |
0.69 |
CC(C)NC(=O)N[C@H]1CCN([C@@H]1C(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(N)=O)C(=O)C=C(C)C
|
|
| MolPort-044-679-730 |
0.69 |
O=C1NC2(CC2)C(=O)N[C@@H]1CC1=CNC2=CC=CC=C12
|
|
| MolPort-045-955-738 |
0.69 |
O=C1NC2(CC2)C(=O)N[C@H]1CC1=CNC2=CC=CC=C12
|
|
| MolPort-020-192-246 |
0.69 |
O=C1N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)N2CCNC[C@H]12
|
|
| MolPort-020-206-355 |
0.69 |
CC(C)CN1CCN2[C@H](C1)C(=O)N[C@@H](CC1=CNC3=CC=CC=C13)C2=O
|
|
| MCULE-1155993789 |
0.69 |
C=CCNC(=O)[C@@H]1CC2=CN(C3C=CC=C([C@@H](N1)CC(C)C)C2=3)CC=C
|
|
| MCULE-5031300310 |
0.69 |
N1(CCNC(=O)[C@H](CC2=CC=CC=C2)NC([C@H](C)NC(=O)[C@@H](CC2C3C=CC=CC=3NC=2)NC(=O)[C@H]1C)=O)C(CO)=O
|
|
| MCULE-6074397069 |
0.69 |
CC(C(C(=O)O)C)NC(C(NC(=O)C)CC1C2C=CC=CC=2NC=1)=O
|
|
| MCULE-5160914933 |
0.69 |
N1(C)[C@@H](C)C(=O)N[C@@H](CC2C=CC=CC=2)C(=O)NCCN(C(=O)[C@@H]2CCCCN2)CC(=O)N[C@@H](CC2C3C=CC=CC=3NC=2)C1=O
|
|
| MCULE-6975492690 |
0.69 |
CC(C(NC(C(N(CCCC(=O)O)C)=O)CC1C2C=CC=CC=2NC=1)=O)C
|
|
| MCULE-9649846820 |
0.69 |
CC(C(NC(C(NCC(=O)O)=O)CC1C2C=CC=CC=2NC=1)=O)C
|
|
| MCULE-4277440961 |
0.69 |
CC(CC(=O)O)CNC(C(NC(C(C)C)=O)CC1C2C=CC=CC=2NC=1)=O
|
|
| MCULE-5034504372 |
0.69 |
CC(C(NC(C(NCCC(C(=O)O)(C)C)=O)CC1C2C=CC=CC=2NC=1)=O)C
|
|
| MCULE-7351244900 |
0.69 |
CC(C(NC(C(NCCCC(=O)O)=O)CC1C2C=CC=CC=2NC=1)=O)C
|
|
| MCULE-2194188723 |
0.69 |
CCN(C(C(NC(C(C)C)=O)CC1C2C=CC=CC=2NC=1)=O)CC(=O)O
|
|
| MCULE-2515619015 |
0.69 |
CCCN(C(C(NC(=O)C)CC1C2C=CC=CC=2NC=1)=O)CC(=O)O
|
|
| MCULE-3037619229 |
0.69 |
CC(NC(C(NC(=O)C)CC1C2C=CC=CC=2NC=1)=O)CC(=O)O
|
|
| MCULE-3876437984 |
0.69 |
CN(C([C@H](CC1C2C=CC=CC=2NC=1)N)=O)CC(NC1CC1)=O
|
|
| MCULE-9644900431 |
0.69 |
N[C@H](C(NCC(NC1CC1)=O)=O)CC1C2C=CC=CC=2NC=1
|
|
| MCULE-5319180779 |
0.69 |
N1([C@@H]([C@H](CC1)NC(NC(C)C)=O)C(=O)N[C@@H](C(N)=O)CC1=CNC2=C1C=CC=C2)C(/C=C(\C)/C)=O
|
|
| MCULE-7921844625 |
0.69 |
C12(CC1)C(=O)N[C@H](C(=O)N2)CC1C2C=CC=CC=2NC=1
|
|
| MCULE-4312934656 |
0.69 |
C12(CC1)C(=O)N[C@@H](C(=O)N2)CC1C2C=CC=CC=2NC=1
|
|
| MCULE-5594670831 |
0.69 |
N12CCNC[C@@H]1C(=O)N[C@@H](CC1C3C=CC=CC=3NC=1)C2=O
|
|
| MCULE-1409739319 |
0.69 |
N12CCN(C[C@@H]1C(N[C@@H](CC1C3C=CC=CC=3NC=1)C2=O)=O)CC(C)C
|
|
| MCULE-7464021869 |
0.69 |
CC(C(NC(C(NCCCCC(=O)O)=O)CC1C2C=CC=CC=2NC=1)=O)C
|
|
| MCULE-7668768194 |
0.69 |
CC(C(NC(C(NCC1(C(=O)O)CC1)=O)CC1C2C=CC=CC=2NC=1)=O)C
|
|
| MCULE-8742911581 |
0.69 |
CCNC(C(NC([C@H](CC1C2C=CC=CC=2NC=1)N)=O)C)=O
|
|
| MCULE-9638021427 |
0.69 |
CCN(C(CN(C([C@H](CC1C2C=CC=CC=2NC=1)N)=O)C)=O)CC
|
|
| MCULE-8852730759 |
0.69 |
CC(C(NC(C)(C)C)=O)NC([C@H](CC1C2C=CC=CC=2NC=1)N)=O
|
|
| MCULE-5792742361 |
0.69 |
CC(NC(CN(C([C@H](CC1C2C=CC=CC=2NC=1)N)=O)C)=O)C
|
|
| MCULE-3096521246 |
0.69 |
CNC(CNC([C@H](CC1C2C=CC=CC=2NC=1)N)=O)=O
|
|
| MCULE-4947061557 |
0.69 |
CC(NC(CNC([C@H](CC1C2C=CC=CC=2NC=1)N)=O)=O)C
|
|
| MCULE-9284107635 |
0.69 |
CN(C(CNC([C@H](CC1C2C=CC=CC=2NC=1)N)=O)=O)C
|
|
| MCULE-8723911188 |
0.69 |
CN(C([C@H](CC1C2C=CC=CC=2NC=1)N)=O)CC(NC(C)(C)C)=O
|
|
| MCULE-8925486947 |
0.69 |
CCN(C(C(NC([C@H](CC1C2C=CC=CC=2NC=1)N)=O)C)=O)C
|
|
| MCULE-4959695200 |
0.69 |
CCNC(CN(C([C@H](CC1C2C=CC=CC=2NC=1)N)=O)CC)=O
|
|
| MCULE-8353638072 |
0.69 |
CCNC(CNC([C@H](CC1C2C=CC=CC=2NC=1)N)=O)=O
|
|
| MCULE-6338072475 |
0.69 |
CCN(C(CNC([C@H](CC1C2C=CC=CC=2NC=1)N)=O)=O)C
|
|
| MCULE-8043412589 |
0.69 |
CN(C(CN(C([C@H](CC1C2C=CC=CC=2NC=1)N)=O)C)=O)C
|
|
| MCULE-8157075869 |
0.69 |
C1(=CNC2C=CC=CC1=2)C[C@@H]1NC(CNC1=O)=O
|
|
| MCULE-3319407455 |
0.69 |
CC1CCCC=1C(NC(C(=O)O)CC1C2C=CC=CC=2NC=1)=O
|
|
| MCULE-8899049753 |
0.69 |
O=C([C@H](CC1=CNC2=CC=CC=C12)NC([C@H](C)NC([C@@H](CC1=CC=C2C=CC=CC2=C1)NC([C@@H](C)N)=O)=O)=O)N[C@@H](C(N[C@H](C(N)=O)CCCCN)=O)CC1=CC=CC=C1
|
|
| MCULE-3324779991 |
0.69 |
O=C(N[C@@H](C(=O)N[C@H](C(=O)N)CCCCN)CC1C=CC=CC=1)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](NC(=O)[C@H](N)C)CC1C=CC2C(=CC=CC=2)C=1)CC1C2C=CC=CC=2NC=1
|
|
| MCULE-7839718283 |
0.69 |
CC(N)C(NC(C(NC(C(NC(C(NC(C(N)=O)CCCCN)=O)CC1C=CC=CC=1)=O)CC1C2C(=CC=CC=2)NC=1)=O)CC1C=CC2C(=CC=CC=2)C=1)=O
|
|
| MCULE-9443956203 |
0.69 |
C=CCNC(=O)[C@@H]1CC2=CN(C3C=CC=C([C@@H](N1)CC(C)C)C2=3)CC1=CC=NC=C1
|
|
| MCULE-7397266039 |
0.69 |
N[C@H](C(NCC(N1CCCC1)=O)=O)CC1C2C=CC=CC=2NC=1
|
|
| MCULE-1756824447 |
0.69 |
C1(CC(NC(C)=O)C(NCCC2C3C=CC=CC=3NC=2)=O)C2C=CC=CC=2NC=1
|
|
| MCULE-5733667698 |
0.69 |
C1(CC(NC(C)=O)C(NCCC2C=CC=CC=2)=O)C2=CC=CC=C2NC=1
|
|
| MCULE-5911216203 |
0.69 |
N[C@H](C(N1CC(=O)N(C2CC2)CC1)=O)CC1C2C=CC=CC=2NC=1
|
|
| MCULE-9855999225 |
0.69 |
CC(NC(C(NCCC(C(=O)O)(C)C)=O)CC1C2C=CC=CC=2NC=1)=O
|
|
| MCULE-3618133823 |
0.69 |
CC(NC(C(NCCCC(=O)O)=O)CC1C2C=CC=CC=2NC=1)=O
|
|
| MCULE-3130170678 |
0.69 |
CN(C(C(NC(=O)C)CC1C2C=CC=CC=2NC=1)=O)CCCC(=O)O
|
|
| MCULE-8927091847 |
0.69 |
N1(C)[C@@H](C)C(=O)N[C@@H](CC2C=CC=CC=2)C(=O)NCCN(C(=O)[C@@H]2CCCN2)CC(=O)N[C@@H](CC2C3C=CC=CC=3NC=2)C1=O
|
|
| MCULE-3640077553 |
0.69 |
CC(CC(=O)O)CNC(C(NC(=O)C)CC1C2C=CC=CC=2NC=1)=O
|
|
| MCULE-5337151817 |
0.69 |
CC(C(=O)O)NC(C(NC(=O)C)CC1C2C=CC=CC=2NC=1)=O
|
|
| MCULE-9997785747 |
0.69 |
C[C@@H](C(=O)O)NC(C(NC(=O)C)CC1C2C=CC=CC=2NC=1)=O
|
|
| MCULE-2276794428 |
0.69 |
N1(C)[C@@H](C)C(=O)N[C@@H](CC2C=CC=CC=2)C(=O)NCCN(CC2C=CC=CC=2)CC(=O)N[C@@H](CC2C3C=CC=CC=3NC=2)C1=O
|
|
| MCULE-5043331459 |
0.69 |
N12CCN(C[C@@H]1C(N[C@@H](CC1C3C=CC=CC=3NC=1)C2=O)=O)CC1CC1
|
|
| MCULE-1059176737 |
0.69 |
CC(C(NC(C(N1CCC(CC(=O)O)CC1)=O)CC1C2C=CC=CC=2NC=1)=O)C
|
|
| MCULE-8127028658 |
0.69 |
CC(C(NC(C(N1CCC(C(=O)O)CC1)=O)CC1C2C=CC=CC=2NC=1)=O)C
|
|
| MCULE-5653232828 |
0.69 |
CC(NC(C(NCCCCCC(=O)O)=O)CC1C2C=CC=CC=2NC=1)=O
|
|
| MCULE-8661574385 |
0.69 |
C1(CC(NC(=O)C=CC(O)=O)C(O)=O)C2C=CC=CC=2NC=1
|
|
| MCULE-3217261075 |
0.69 |
N1(C)[C@@H](C)C(=O)N[C@@H](CC2C=CC=CC=2)C(=O)NCCN(C(=O)CCOCC)CC(=O)N[C@@H](CC2C3C=CC=CC=3NC=2)C1=O
|
|
| MCULE-3058276921 |
0.69 |
N1([C@@H]([C@H](CC1)NC(NC1CCCCC1)=O)C(=O)N[C@@H](C(N)=O)CC1=CNC2=C1C=CC=C2)C(/C=C(\C)/C)=O
|
|
| MCULE-5799713738 |
0.69 |
C1(C[C@H](NC(=O)OC(C)(C)C)C(=O)N2CCN(CC2)C)C2C=CC=CC=2N(C)C=1
|
|
| MCULE-7903394382 |
0.69 |
C1(CC(NC(=O)OC(C)(C)C)C(=O)N2CCN(CC2)C)C2C=CC=CC=2N(C)C=1
|
|
| MCULE-7732188328 |
0.69 |
C1(C[C@@H](C(NCCC2C3C=CC=CC=3NC=2)=O)NC(=O)OC(C)(C)C)C2C=CC=CC=2N(C)C=1
|
|
| MCULE-8785830783 |
0.69 |
C(=O)(/C=C(/C)\C)N1CCN(CC1)C(=O)CCC1C2=CC=CC=C2NC=1
|
|
| MCULE-8735018769 |
0.69 |
N[C@H](C(N1CC(=O)NCC1)=O)CC1C2C=CC=CC=2NC=1
|
|
| MCULE-3529224265 |
0.69 |
N[C@H](C(NCC(N1CCCCC1)=O)=O)CC1C2C=CC=CC=2NC=1
|
|
| MolPort-028-754-102 |
0.69 |
C[C@@H](N)C(=O)N[C@H](CC1=CC2=CC=CC=C2C=C1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCCN)C(N)=O
|
|
| MolPort-042-694-787 |
0.69 |
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](CC1=CC=CC2=CC=CC=C12)NC(=O)[C@@H](N)CCCCN)C(N)=O
|
|
| MolPort-019-934-806 |
0.69 |
CC(C)C[C@@H]1N[C@@H](CC2=CN(CC3=CC=NC=C3)C3=CC=CC1=C23)C(=O)NCC=C
|
|
| MolPort-002-027-862 |
0.69 |
CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)NCCC1=CC=CC=C1
|
|
| MolPort-002-027-871 |
0.69 |
CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)NCCC1=CNC2=CC=CC=C12
|
|
| MolPort-030-084-331 |
0.69 |
N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)NCC(=O)NCC(O)=O
|
|
| MolPort-045-934-222 |
0.69 |
C[C@@H]1N(C)C(=O)[C@H](CC2=CNC3=CC=CC=C23)NC(=O)CN(CCNC(=O)[C@H](CC2=CC=CC=C2)NC1=O)C(=O)[C@@H]1CCCN1
|
|
| MolPort-020-204-210 |
0.69 |
O=C1N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)N2CCN(CC3CC3)C[C@H]12
|
|
| MolPort-002-558-453 |
0.69 |
OC(=O)\C=C\C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O
|
|
| MolPort-001-749-289 |
0.69 |
CC(C)=CC(=O)N1CC[C@H](NC(=O)NC2CCCCC2)[C@H]1C(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(N)=O
|
|
| MolPort-039-195-810 |
0.69 |
CN1C=C(C[C@H](NC(=O)OC(C)(C)C)C(=O)N2CCN(C)CC2)C2=CC=CC=C12
|
|
| MolPort-039-056-370 |
0.69 |
CN1C=C(C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC2=CNC3=CC=CC=C23)C2=CC=CC=C12
|
|
| MolPort-005-930-697 |
0.69 |
CC(C)=CC(=O)N1CCN(CC1)C(=O)CCC1=CNC2=CC=CC=C12
|
|
| MolPort-045-954-081 |
0.69 |
CC(C)C[C@@H]1NC(=O)[C@H](CC2=CNC3=CC=CC=C23)NC1=O
|
|
| MolPort-019-931-765 |
0.69 |
CC(C)C1NC(=O)C(C)NC(=O)CCCNC(=O)C(CC2=CNC3=CC=CC=C23)NC(=O)C(C)NC(=O)C(NC(=O)C(NC1=O)C(C)C1=CC=CC=C1)C(C)C
|
|
| MolPort-045-947-299 |
0.69 |
CC[C@@H](C)[C@H]1N(C)C(=O)[C@H](CC2=CNC3=CC=CC=C23)NC1=O
|
|
| MolPort-045-952-668 |
0.69 |
CC(C)C[C@H]1NC(=O)[C@H](CC2=CNC3=CC=CC=C23)NC1=O
|
|
| MolPort-044-695-153 |
0.69 |
CC[C@H](C)[C@@H]1NC(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC1=O
|
|
| MolPort-045-912-530 |
0.69 |
CCC[C@H]1NC(=O)[C@H](CC2=CNC3=CC=CC=C23)NC1=O
|
|
| MolPort-045-911-529 |
0.69 |
CC[C@H](C)[C@H]1NC(=O)[C@H](CC2=CNC3=CC=CC=C23)NC1=O
|
|
| MolPort-006-668-315 |
0.69 |
CC(C)C1NC(=O)C(C)NC(=O)CCCNC(=O)C(CC2=CNC3=CC=CC=C23)NC(=O)C(C)NC(=O)C(NC(=O)C(CC2=CC=CC=C2)NC1=O)C(C)C
|
|
| MolPort-045-923-959 |
0.69 |
CC(C)C[C@@H]1NC(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC1=O
|
|
| MolPort-045-922-864 |
0.69 |
CC[C@@H](C)[C@H]1NC(=O)[C@H](CC2=CNC3=CC=CC=C23)NC1=O
|
|
| MolPort-046-569-015 |
0.68 |
C[C@@H]1NC(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC(=O)[C@@H](C)N(CCNC(=O)[C@H](CC2=CC=CC=C2)NC1=O)C(=O)C1=CC=CC=C1
|
|
| MolPort-045-935-290 |
0.68 |
C[C@@H]1N(C)C(=O)[C@H](CC2=CNC3=CC=CC=C23)NC(=O)CN(CCNC(=O)[C@H](CC2=CC=CC=C2)NC1=O)C(=O)C1=CC=CC=C1
|
|
| MolPort-002-728-062 |
0.68 |
CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)N1CCN(CC1)C(=O)C(CC1=CNC2=CC=CC=C12)NC(C)=O
|
|
| MolPort-001-497-458 |
0.68 |
CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)NC1CC1
|
|
| MolPort-001-748-273 |
0.68 |
CN[C@@H](CC(C)C)C(=O)N[C@@H]1C=C(C[C@@H](O)[C@@H]1O)C(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(N)=O
|
|
| MolPort-009-230-429 |
0.68 |
CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)N1CCC1
|
|
| MolPort-004-088-672 |
0.68 |
CC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)NC1CC1
|
|
| MolPort-045-915-350 |
0.68 |
CC(C)N1CCC(CC1)C(=O)N1CCNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CC2=CNC3=CC=CC=C23)NC(=O)C1
|
|
| MolPort-045-911-236 |
0.68 |
CCCC[C@@H]1NC(=O)[C@H](CC2=CNC3=CC=CC=C23)NC1=O
|
|
| MolPort-039-269-452 |
0.68 |
CC(C)C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)N(C)CC1(CO)CC1
|
|
| MolPort-019-934-894 |
0.68 |
CC(C)C[C@@H]1N[C@@H](CC2=CN(CC=C)C3=CC=CC1=C23)C(=O)NCCN(C)C
|
|
| MolPort-020-231-435 |
0.68 |
O=C1N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)N2CCN(CC3CCCCC3)C[C@H]12
|
|
| MolPort-006-167-460 |
0.68 |
CC(C)C[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC=O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)NCCO
|
|
| MolPort-046-741-938 |
0.68 |
COCC(=O)N1CCNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](C)NC(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC(=O)[C@H]1C
|
|
| MolPort-042-664-857 |
0.68 |
CN1C=C(CC(NC(=O)OC(C)(C)C)C(=O)NCC2CC3CC2C=C3)C2=CC=CC=C12
|
|
| MolPort-039-195-648 |
0.68 |
CN1C=C(C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC2CC3CC2C=C3)C2=CC=CC=C12
|
|
| MolPort-045-917-690 |
0.68 |
O=C1N[C@@H](C2CC2)C(=O)N[C@H]1CC1=CNC2=CC=CC=C12
|
|
| MolPort-045-952-903 |
0.68 |
OCC[C@@H]1NC(=O)[C@H](CC2=CNC3=CC=CC=C23)NC1=O
|
|
| MolPort-044-694-619 |
0.68 |
O=C1N[C@@H](C2CC2)C(=O)N[C@@H]1CC1=CNC2=CC=CC=C12
|
|
| MolPort-045-915-964 |
0.68 |
C[C@@H]1N(C)C(=O)[C@H](CC2=CNC3=CC=CC=C23)NC(=O)CN(CCNC(=O)[C@H](CC2=CC=CC=C2)NC1=O)C(=O)CC1CC(C)(C)NC(C)(C)C1
|
|
| MCULE-1547672880 |
0.68 |
N1(C)[C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NCCN(C(=O)CN2CCCN(C)CC2)CC(=O)N[C@@H](CC2C3C=CC=CC=3NC=2)C1=O
|
|
| MCULE-1215058297 |
0.68 |
N1[C@@H](CC2C3C=CC=CC=3NC=2)C(=O)N[C@H](CC(C)C)C1=O
|
|
| MCULE-6296370626 |
0.68 |
N1[C@H]([C@@H](C)CC)C(=O)N[C@@H](CC2C3C=CC=CC=3NC=2)C1=O
|
|
| MCULE-5243983062 |
0.68 |
CC(C)C1C(=O)NC(C)C(NC(CC2C3C=CC=CC=3NC=2)C(NCCCC(NC(C)C(=O)NC(C(C)C)C(=O)NC(CC2C=CC=CC=2)C(=O)N1)=O)=O)=O
|
|
| MCULE-8911007202 |
0.68 |
N1[C@H]([C@H](C)CC)C(=O)N[C@@H](CC2C3C=CC=CC=3NC=2)C1=O
|
|
| MCULE-5623951781 |
0.68 |
N1(C)[C@H]([C@H](C)CC)C(=O)N[C@@H](CC2C3C=CC=CC=3NC=2)C1=O
|
|
| MCULE-2421978711 |
0.68 |
N1[C@@H]([C@@H](C)CC)C(=O)N[C@H](CC2C3C=CC=CC=3NC=2)C1=O
|
|
| MCULE-5533725893 |
0.68 |
N1[C@H](CC2C3C=CC=CC=3NC=2)C(=O)N[C@@H](CC(C)C)C1=O
|
|
| MCULE-7622767446 |
0.68 |
CC(C1NC(=O)C(C(C)C2C=CC=CC=2)NC(=O)C(C(C)C)NC(C(C)NC(=O)CCCNC(C(NC(C(C)NC1=O)=O)CC1C2C=CC=CC=2NC=1)=O)=O)C
|
|
| MCULE-4666772010 |
0.68 |
N1[C@@H](CC2C3C=CC=CC=3NC=2)C(=O)N[C@@H](CC(C)C)C1=O
|
|
| MCULE-8507397757 |
0.68 |
N1[C@@H](CC2C3C=CC=CC=3NC=2)C(=O)N[C@H](CCC)C1=O
|
|
| MCULE-7732704254 |
0.68 |
CCC(C(=O)O)(CNC(C(NC(=O)C)CC1C2C=CC=CC=2NC=1)=O)CC
|
|
| MCULE-3332505084 |
0.68 |
N1(C)[C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NCCN(C(C2=CC=CC=C2)=O)CC(=O)N[C@@H](CC2C3C=CC=CC=3NC=2)C1=O
|
|
| MCULE-1722863980 |
0.68 |
CC(NC(C(NCCCCC(=O)O)=O)CC1C2C=CC=CC=2NC=1)=O
|
|
| MCULE-4852418227 |
0.68 |
CC(C[C@@H](C(=O)O)NC(CNC(CCC1C2C=CC=CC=2N(C)C=1)=O)=O)C
|
|
| MCULE-9968227335 |
0.68 |
CNC([C@@H](NC(C(COC)N)=O)CC1C2C=CC=CC=2NC=1)=O
|
|
| MCULE-6943803345 |
0.68 |
N1(CCNC(=O)[C@H](CC2C=CC=CC=2)NC([C@H](C)NC(=O)[C@@H](CC2C3C=CC=CC=3NC=2)NC(=O)[C@H]1C)=O)C(C1=CC=CC=C1)=O
|
|
| MCULE-7612735347 |
0.68 |
CC(NC(C(NCC1(C(=O)O)CC1)=O)CC1C2C=CC=CC=2NC=1)=O
|
|
| MCULE-9925674836 |
0.68 |
CCCC(C(=O)O)CNC(C(NC(C(C)C)=O)CC1C2C=CC=CC=2NC=1)=O
|
|
| MCULE-6962865984 |
0.68 |
CC(N[C@H](C(NC1CC1)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-4615463602 |
0.68 |
CC(NC(C(N1CCC1)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-6472599468 |
0.68 |
CC(NC(C(N1CCNCC1)=O)CC1C2C=CC=CC=2NC=1)=O
|
|
| MCULE-1636275344 |
0.68 |
C1(CC(NC(C)=O)C(=O)NC2CC2)C2C=CC=CC=2NC=1
|
|
| MCULE-4225449305 |
0.68 |
C1(C2C=CC=CC=2NC=1)CC(NC(C)=O)C(=O)N1CCN(CC1)C(=O)C(NC(C)=O)CC1C2C=CC=CC=2NC=1
|
|
| MCULE-6992076575 |
0.68 |
O[C@H]1[C@@H]([C@@H](C=C(C1)C(=O)N[C@@H](C(N)=O)CC1=CNC2C=CC=CC1=2)NC(=O)[C@H](CC(C)C)NC)O
|
|
| MCULE-1610196798 |
0.68 |
C(NC(=O)[C@@H]1CC2=CN(C3C=CC=C([C@@H](N1)CC(C)C)C2=3)CC=C)CN(C)C
|
|
| MCULE-1251219791 |
0.68 |
N1[C@@H](CC2C3C=CC=CC=3NC=2)C(=O)N[C@@H](CCCC)C1=O
|
|
| MCULE-9451304567 |
0.68 |
N1(C)[C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NCCN(C(=O)C2CCN(CC2)C(C)C)CC(=O)N[C@@H](CC2C3C=CC=CC=3NC=2)C1=O
|
|
| MCULE-7618433473 |
0.68 |
CN(C(CCC1C2C=CC=CC=2N(C)C=1)=O)CC(N1CCC(C(=O)O)CC1)=O
|
|
| MCULE-2614150805 |
0.68 |
CC(C(NC(C(N(CC1(CC1)CO)C)=O)CC1C2=C(C=CC=C2)NC=1)=O)C
|
|
| MCULE-5259476068 |
0.68 |
C[C@H]1C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N2[C@@H](CCC2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2C3C(=CC=CC=3)NC=2)C(=O)N1
|
|
| MCULE-1586296136 |
0.68 |
N1(C)[C@@H](C)C(=O)N[C@@H](CC2C=CC=CC=2)C(=O)NCCN(C(=O)C(C)(C)OC)CC(=O)N[C@@H](CC2C3C=CC=CC=3NC=2)C1=O
|
|
| MCULE-2245515338 |
0.68 |
N12CCN(C[C@@H]1C(N[C@@H](CC1C3C=CC=CC=3NC=1)C2=O)=O)CC1CCCCC1
|
|
| MCULE-7911779503 |
0.68 |
N1(CCNC(=O)[C@H](CC2=CC=CC=C2)NC([C@H](C)NC(=O)[C@@H](CC2C3C=CC=CC=3NC=2)NC(=O)[C@H]1C)=O)C(COC)=O
|
|
| MCULE-9851689636 |
0.68 |
CC(NC(C(NC(C(=O)O)CCC=C)=O)CC1C2C=CC=CC=2NC=1)=O
|
|
| MCULE-7792467542 |
0.68 |
CC(C(NC(C(NC(C(=O)O)CCC=C)=O)CC1C2C=CC=CC=2NC=1)=O)C
|
|
| MCULE-5405669912 |
0.68 |
CNC([C@@H](NC(CC(N)C)=O)CC1C2C=CC=CC=2NC=1)=O
|
|
| MCULE-8233084267 |
0.68 |
C1(CC(NC(=O)OC(C)(C)C)C(=O)NCC2CC3CC2C=C3)C2C=CC=CC=2N(C)C=1
|
|
| MCULE-5606363542 |
0.68 |
N1[C@@H](C2CC2)C(=O)N[C@H](CC2C3C=CC=CC=3NC=2)C1=O
|
|
| MCULE-5330875232 |
0.68 |
CN(C(C(NC(=O)C)CC1C2C=CC=CC=2NC=1)=O)CC(=O)O
|
|
| MCULE-6145585303 |
0.68 |
N1[C@@H](C2CC2)C(=O)N[C@@H](CC2C3C=CC=CC=3NC=2)C1=O
|
|
| MCULE-2491250127 |
0.68 |
CC(NC(C(NCC(=O)O)=O)CC1C2C=CC=CC=2NC=1)=O
|
|
| MCULE-7583325101 |
0.68 |
CNC([C@@H](NC(CCC1CCNCC1)=O)CC1C2C=CC=CC=2NC=1)=O
|
|
| MCULE-3426061514 |
0.68 |
CCN(C(C(NC(=O)C)CC1C2C=CC=CC=2NC=1)=O)CC(=O)O
|
|
| MCULE-2903227648 |
0.68 |
N[C@H](C(NC1C(=O)NCCCC1)=O)CC1C2C=CC=CC=2NC=1
|
|
| MCULE-7694381906 |
0.68 |
N1[C@@H](CC2C3C=CC=CC=3NC=2)C(=O)N[C@@H](CCO)C1=O
|
|
| MCULE-1599051698 |
0.68 |
CC(NC(C(N1CCC(CC(=O)O)CC1)=O)CC1C2C=CC=CC=2NC=1)=O
|
|
| MCULE-9597863125 |
0.68 |
N1(C)[C@@H](C)C(=O)N[C@@H](CC2C=CC=CC=2)C(=O)NCCN(C(=O)CC[C@@H]2CCCN3CCCC[C@@]32[H])CC(=O)N[C@@H](CC2C3C=CC=CC=3NC=2)C1=O
|
|
| MCULE-6843281502 |
0.68 |
CC(NC(C(N1CCC(C(=O)O)CC1)=O)CC1C2C=CC=CC=2NC=1)=O
|
|
| MCULE-4816889640 |
0.68 |
CC(NC(C(NC(C(C)C)=O)CC1C2C=CC=CC=2NC=1)=O)CCC(=O)O
|
|
| MCULE-9143293843 |
0.68 |
N1(C)[C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NCCN(C(=O)CC2CC(C)(C)NC(C)(C)C2)CC(=O)N[C@@H](CC2C3C=CC=CC=3NC=2)C1=O
|
|
| MCULE-8883606666 |
0.68 |
C(NC(=O)[C@@H]1CC2=CN(C)C3C=CC=C([C@@H](N1)CC(C)C)C2=3)CN(C)C
|
|
| MCULE-5033806594 |
0.68 |
C1CN(C(=O)[C@@H]2CC3=CN(C4C=CC=C([C@@H](N2)CC(C)C)C3=4)CC=C)CCN1C
|
|
| MCULE-5023934795 |
0.68 |
CC(NC(C(NCC1(C2=CC=CC=C2)CC1)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-5859181136 |
0.68 |
C1(C2C=CC=CC=2NC=1)CC(NC(C)=O)C(=O)N1CCCCCC1
|
|
| MCULE-3167301685 |
0.68 |
CC(NC(C(NC1CCCCCCC1)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-3957135276 |
0.68 |
C1(CC(NC(C)=O)C(=O)NC2CCCCC2)C2C=CC=CC=2NC=1
|
|
| MCULE-2771347968 |
0.68 |
CC(NC(C(N1CCC(=O)CC1)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-8764266937 |
0.68 |
N[C@H](C(NC1C(=O)NCCC1)=O)CC1C2C=CC=CC=2NC=1
|
|
| MCULE-9346596040 |
0.68 |
N1[C@H](CC2C3C=CC=CC=3NC=2)C(=O)N[C@@H](CCCCN)C1=O
|
|
| MCULE-7642063612 |
0.68 |
N1C2(CCCC2)C(=O)N[C@@H](CC2C3C=CC=CC=3NC=2)C1=O
|
|
| MCULE-5585106461 |
0.68 |
N12CCCC[C@@H]1C(=O)N[C@@H](CC1C3C=CC=CC=3NC=1)C2=O
|
|
| MCULE-7260056419 |
0.68 |
N12CCCC[C@H]1C(=O)N[C@@H](CC1C3C=CC=CC=3NC=1)C2=O
|
|
| MCULE-4780517889 |
0.68 |
N1(CCNC(=O)[C@H](CC2=CC=CC=C2)NC([C@H](C)NC(=O)[C@@H](CC2C3C=CC=CC=3NC=2)NC(=O)[C@H]1C)=O)C(=O)[C@@H]1CCC(=O)N1
|
|
| MCULE-9376696180 |
0.68 |
N1C2(CCCC2)C(=O)N[C@H](CC2C3C=CC=CC=3NC=2)C1=O
|
|
| MCULE-8633580369 |
0.68 |
C1(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(C(C)C2C=CC=CC=2)NC(=O)C(C(C)C)NC(=O)C(C)NC(CCCNC(=O)C(CC2C3C=CC=CC=3NC=2)N1)=O
|
|
| MCULE-1094989148 |
0.68 |
CCCC(C(=O)O)NC(C(NC(=O)C)CC1C2C=CC=CC=2NC=1)=O
|
|
| MCULE-2596603630 |
0.68 |
CC(CC(C(=O)O)CNC(C(NC(=O)C)CC1C2C=CC=CC=2NC=1)=O)C
|
|
| MCULE-9288655314 |
0.68 |
CC(C[C@H](C(=O)O)NC(C(NC(=O)C)CC1C2C=CC=CC=2NC=1)=O)C
|
|
| MCULE-5198895100 |
0.68 |
CCCC(C(=O)O)CNC(C(NC(=O)C)CC1C2C=CC=CC=2NC=1)=O
|
|
| MCULE-3007551181 |
0.68 |
C1(CC(C(NCCN2CCCC2=O)=O)NC(=O)OC(C)(C)C)C2C=CC=CC=2N(C)C=1
|
|
| MCULE-4620130994 |
0.68 |
C1(C[C@@H](C(NCCN2CCCC2=O)=O)NC(=O)OC(C)(C)C)C2C=CC=CC=2N(C)C=1
|
|
| MCULE-5062704862 |
0.68 |
C=CCN1CCN(C(=O)[C@@H]2CC3=CNC4C=CC=C([C@@H](N2)CC(C)C)C=43)CC1
|
|
| MCULE-9436395819 |
0.68 |
CC(NC(C(N1CCCCC1)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-1315200067 |
0.68 |
CC1CCN(C([C@@H](NC(C)=O)CC2C3=C(C=CC=C3)NC=2)=O)CC1
|
|
| MCULE-2576072431 |
0.68 |
CNCCC(N[C@H](C(NC)=O)CC1C2C=CC=CC=2NC=1)=O
|
|
| MCULE-8733625301 |
0.68 |
CN1C(=O)CN(C(CCC2C3=C(C=CC=C3)N(C)C=2)=O)CCC1
|
|
| MCULE-6364192364 |
0.68 |
CNCCC(N[C@H](C(NC)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-7641459163 |
0.68 |
C1(CC(NC(=O)OC(C)(C)C)C(=O)N2CCC(=CC2)C2C3=CC=CC=C3NC=2)C2C=CC=CC=2N(C)C=1
|
|
| MCULE-4587365913 |
0.68 |
C1(C[C@H](NC(=O)OC(C)(C)C)C(=O)N2CCC(=CC2)C2C3=CC=CC=C3NC=2)C2C=CC=CC=2N(C)C=1
|
|
| MCULE-4325828773 |
0.68 |
C12C=CC=CC=1NC=C2C[C@@H]1NC([C@H](CC2C=CC(O)=CC=2)NC1=O)=O
|
|
| MCULE-2257522366 |
0.68 |
N1[C@@H](CO)C(=O)N[C@@H](CC2C3C=CC=CC=3NC=2)C1=O
|
|
| MCULE-7978494302 |
0.68 |
N1C(=O)[C@H](CC2C3C=CC=CC=3NC=2)NC(=O)[C@@H]1[C@@H](C)O
|
|
| MCULE-9248977127 |
0.68 |
N12CCN(C[C@@H]1C(N[C@@H](CC1C3C=CC=CC=3NC=1)C2=O)=O)CC1=CC=CC=C1
|
|
| MCULE-8215647704 |
0.68 |
N1C(=O)[C@H](CC2C3C=CC=CC=3NC=2)NC(=O)[C@H]1[C@H](C)O
|
|
| MCULE-4310988157 |
0.68 |
CC(C(NC(C(N[C@@H]1C[C@H](C(=O)O)C1)=O)CC1C2C=CC=CC=2NC=1)=O)C
|
|
| MCULE-6479166638 |
0.68 |
N1C(=O)[C@@H](CC2C3C=CC=CC=3NC=2)NC(=O)[C@@H]1[C@@H](C)O
|
|
| MCULE-7871338396 |
0.68 |
N1[C@H](CO)C(=O)N[C@@H](CC2C3C=CC=CC=3NC=2)C1=O
|
|
| MCULE-4854673575 |
0.68 |
N1(CCNC(=O)[C@H](CC2=CC=CC=C2)NC([C@H](C)NC(=O)[C@@H](CC2C3C=CC=CC=3NC=2)NC(=O)[C@H]1C)=O)C(C1CCOCC1)=O
|
|
| MCULE-9309734629 |
0.68 |
CC(C(NC(C(NC1CCC(C(=O)O)CC1)=O)CC1C2C=CC=CC=2NC=1)=O)C
|
|
| MCULE-5645645620 |
0.68 |
N1(C)[C@@H](C)C(=O)N[C@@H](CC2C=CC=CC=2)C(=O)NCCN(C(C2CCOCC2)=O)CC(=O)N[C@@H](CC2C3C=CC=CC=3NC=2)C1=O
|
|
| MCULE-9228217064 |
0.68 |
C=CCNC(CN1C(=O)C(CC2C3=C(C=CC=C3)NC=2)NC1=O)=O
|
|
| MCULE-7889447092 |
0.68 |
N1(C)[C@@H](C)C(=O)N[C@@H](CC2C=CC=CC=2)C(=O)NCCN(C(=O)C2C=CC=C(CCC(C)(C)O)C=2)CC(=O)N[C@@H](CC2C3C=CC=CC=3NC=2)C1=O
|
|
| MCULE-4443398424 |
0.68 |
C(O)(=O)[C@H](CCCCN)NC(=O)[C@H](CC1C2C(=CC=CC=2)NC=1)NC(=O)[C@H](CCCCN)N
|
|
| MCULE-9910793258 |
0.68 |
C=CCN(C(=O)[C@@H]1CC2=CNC3C=CC=C([C@@H](N1)CC(C)C)C=32)C
|
|
| MCULE-9706154628 |
0.68 |
C1(C[C@@H](C(NCCN2C3C=CC=CC=3C=C2)=O)NC(=O)OC(C)(C)C)C2C=CC=CC=2N(C)C=1
|
|
| MCULE-1012837082 |
0.68 |
C1(CC(C(NCCN2C=CC=C2)=O)NC(=O)OC(C)(C)C)C2C=CC=CC=2N(C)C=1
|
|
| MCULE-4154120554 |
0.68 |
C1(C[C@@H](C(NCCN2C=CC=C2)=O)NC(=O)OC(C)(C)C)C2C=CC=CC=2N(C)C=1
|
|
| MCULE-6525832698 |
0.68 |
C1(CC(C(NCCN2C3C=CC=CC=3C=C2)=O)NC(=O)OC(C)(C)C)C2C=CC=CC=2N(C)C=1
|
|
| MCULE-8145708674 |
0.68 |
C=CCNC(=O)[C@@H]1CC2=CNC3C=CC=C([C@@H](N1)CC(C)C)C=32
|
|
| MCULE-7585542863 |
0.68 |
C1(CC(NC(=O)OC(C)(C)C)C(=O)NCC2CCCN2CC)C2C=CC=CC=2N(C)C=1
|
|
| MolPort-019-934-770 |
0.68 |
CC(C)C[C@@H]1N[C@@H](CC2=CN(C)C3=CC=CC1=C23)C(=O)NCCN(C)C
|
|
| MolPort-019-934-899 |
0.68 |
CC(C)C[C@@H]1N[C@@H](CC2=CN(CC=C)C3=CC=CC1=C23)C(=O)N1CCN(C)CC1
|
|
| MolPort-002-955-436 |
0.68 |
CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)N1CCCCCC1
|
|
| MolPort-004-111-501 |
0.68 |
CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)N1CCC(=O)CC1
|
|
| MolPort-001-912-960 |
0.68 |
CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)NC1CCCCC1
|
|
| MolPort-009-511-217 |
0.68 |
CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)NC1CCCCCCC1
|
|
| MolPort-007-181-240 |
0.68 |
CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)NCC1(CC1)C1=CC=CC=C1
|
|
| MolPort-046-569-472 |
0.68 |
C[C@@H]1NC(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC(=O)[C@@H](C)N(CCNC(=O)[C@H](CC2=CC=CC=C2)NC1=O)C(=O)[C@@H]1CCC(=O)N1
|
|
| MolPort-006-668-316 |
0.68 |
CC(C)CC1NC(=O)C(NC(=O)C(NC(=O)C(C)NC(=O)CCCNC(=O)C(CC2=CNC3=CC=CC=C23)NC(=O)C(C)NC1=O)C(C)C)C(C)C1=CC=CC=C1
|
|
| MolPort-044-701-428 |
0.68 |
NCCCC[C@@H]1NC(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC1=O
|
|
| MolPort-045-915-169 |
0.68 |
O=C1NC2(CCCC2)C(=O)N[C@@H]1CC1=CNC2=CC=CC=C12
|
|
| MolPort-045-956-294 |
0.68 |
O=C1N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)N2CCCC[C@@H]12
|
|
| MolPort-045-948-851 |
0.68 |
O=C1N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)N2CCCC[C@H]12
|
|
| MolPort-045-921-341 |
0.68 |
O=C1NC2(CCCC2)C(=O)N[C@H]1CC1=CNC2=CC=CC=C12
|
|
| MolPort-039-195-853 |
0.68 |
CN1C=C(C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCN2CCCC2=O)C2=CC=CC=C12
|
|
| MolPort-019-934-953 |
0.68 |
CC(C)C[C@@H]1N[C@@H](CC2=CNC3=CC=CC1=C23)C(=O)N1CCN(CC=C)CC1
|
|
| MolPort-046-426-286 |
0.68 |
OC(=O)C(F)(F)F.N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O
|
|
| MolPort-042-665-505 |
0.68 |
CN1C=C(CC(NC(=O)OC(C)(C)C)C(=O)NCCN2CCCC2=O)C2=CC=CC=C12
|
|
| MolPort-004-064-158 |
0.68 |
CC1CCN(CC1)C(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(C)=O
|
|
| MolPort-028-826-838 |
0.68 |
CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)N1CCCCC1
|
|
| MolPort-039-195-271 |
0.68 |
CN1C=C(C[C@H](NC(=O)OC(C)(C)C)C(=O)N2CCC(=CC2)C2=CNC3=CC=CC=C23)C2=CC=CC=C12
|
|
| MolPort-044-581-840 |
0.68 |
CN1C=C(CCC(=O)N2CCCN(C)C(=O)C2)C2=CC=CC=C12
|
|
| MolPort-045-220-236 |
0.68 |
CNCCC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)NC
|
|
| MolPort-020-227-510 |
0.68 |
O=C1N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)N2CCN(CC3=CC=CC=C3)C[C@H]12
|
|
| MolPort-045-931-831 |
0.68 |
C[C@@H]1N(C)C(=O)[C@H](CC2=CNC3=CC=CC=C23)NC(=O)CN(CCNC(=O)[C@H](CC2=CC=CC=C2)NC1=O)C(=O)C1=CC(CCC(C)(C)O)=CC=C1
|
|
| MolPort-045-953-834 |
0.68 |
OC[C@H]1NC(=O)[C@H](CC2=CNC3=CC=CC=C23)NC1=O
|
|
| MolPort-045-922-231 |
0.68 |
C[C@H](O)[C@H]1NC(=O)[C@H](CC2=CNC3=CC=CC=C23)NC1=O
|
|
| MolPort-046-418-729 |
0.68 |
NCCCC[C@H](N)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](CCCCN)C(O)=O
|
|
| MolPort-044-718-193 |
0.68 |
C[C@@H](O)[C@@H]1NC(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC1=O
|
|
| MolPort-005-530-221 |
0.68 |
C=CCNC(=O)CN1C(=O)NC(CC2=CNC3=CC=CC=C23)C1=O
|
|
| MolPort-046-740-654 |
0.68 |
C[C@@H]1NC(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC(=O)[C@@H](C)N(CCNC(=O)[C@H](CC2=CC=CC=C2)NC1=O)C(=O)C1CCOCC1
|
|
| MolPort-045-919-711 |
0.68 |
OC[C@@H]1NC(=O)[C@H](CC2=CNC3=CC=CC=C23)NC1=O
|
|
| MolPort-045-954-283 |
0.68 |
C[C@@H](O)[C@@H]1NC(=O)[C@H](CC2=CNC3=CC=CC=C23)NC1=O
|
|
| MolPort-039-195-107 |
0.67 |
CN1C=C(C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCN2C=CC3=CC=CC=C23)C2=CC=CC=C12
|
|
| MolPort-039-195-924 |
0.67 |
CCN1CCCC1CNC(=O)[C@H](CC1=CN(C)C2=CC=CC=C12)NC(=O)OC(C)(C)C
|
|
| MolPort-019-934-757 |
0.67 |
CC(C)C[C@@H]1N[C@@H](CC2=CN(C)C3=CC=CC1=C23)C(=O)NCCN1CCCC1
|
|
| MolPort-019-934-948 |
0.67 |
CC(C)C[C@@H]1N[C@@H](CC2=CNC3=CC=CC1=C23)C(=O)N(C)CC=C
|
|
| MolPort-019-934-724 |
0.67 |
CC(C)C[C@@H]1N[C@@H](CC2=CNC3=CC=CC1=C23)C(=O)NCC=C
|
|
| MolPort-039-195-973 |
0.67 |
CN1C=C(C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCN2C=CC=C2)C2=CC=CC=C12
|
|
| MolPort-042-665-372 |
0.67 |
CCN1CCCC1CNC(=O)C(CC1=CN(C)C2=CC=CC=C12)NC(=O)OC(C)(C)C
|
|
| MolPort-044-431-698 |
0.67 |
CN1C=C(CC(NC(=O)OC(C)(C)C)C(=O)NCCN2C=CC=C2)C2=CC=CC=C12
|
|
| MolPort-009-031-289 |
0.67 |
CCNC(=O)C(CC1=CNC2=CC=CC=C12)NC(C)=O
|
|
| MolPort-005-661-950 |
0.67 |
CCC1=CC=C(C=C1)C(CNC(=O)C(CC1=CNC2=CC=CC=C12)NC(C)=O)N(C)C
|
|
| MolPort-046-568-112 |
0.67 |
CC(C)[C@@H]1NC(=O)[C@@H](C)N(CCCNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CN(C)C1=O)C(=O)CC1=CN(C)C2=CC=CC=C12
|
|
| MolPort-044-714-878 |
0.67 |
O=C1N[C@@H](C2CCCCC2)C(=O)N[C@H]1CC1=CNC2=CC=CC=C12
|
|
| MolPort-006-346-120 |
0.67 |
CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)NC12CC3CC(CC(C3)C1)C2
|
|
| MolPort-004-158-502 |
0.67 |
CC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)NC1CCCCCC1
|
|
| MolPort-009-566-109 |
0.67 |
CC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)NCC1CCCCC1
|
|
| MolPort-006-346-121 |
0.67 |
CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)NC12CC3CC(C)(CC(C)(C3)C1)C2
|
|
| MolPort-046-578-918 |
0.67 |
CC(C)C[C@H]1NC(=O)[C@H](CC2=CNC3=CC=CC=C23)NC(=O)[C@@H](C)NC(=O)[C@H](CCCCNC(=O)[C@@H]2C[C@@H](O)CN2C1=O)NC(=O)\C=C\C1=CC=CC=C1
|
|
| MolPort-039-339-966 |
0.67 |
O=C1N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)N2CCC[C@@H]12
|
|
| MolPort-045-918-009 |
0.67 |
C[C@@H]1N(C)C(=O)[C@H](CC2=CNC3=CC=CC=C23)NC(=O)CN(CCNC(=O)[C@H](CC2=CC=CC=C2)NC1=O)C(=O)C1=CC=NC=C1
|
|
| MolPort-002-985-147 |
0.67 |
CC1CCC(CC1)C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)NC1CCCCC1C
|
|
| MolPort-041-217-049 |
0.67 |
CC(C)C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)N1CCCC(C1)C(O)=O
|
|
| MolPort-002-985-153 |
0.67 |
CC1CCC(CC1)NC(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)C1CCC(C)CC1
|
|
| MolPort-046-568-600 |
0.67 |
C[C@@H]1NC(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC(=O)[C@@H](C)N(CCNC(=O)[C@H](CC2=CC=CC=C2)NC1=O)C(=O)C1=CC=NC=C1
|
|
| MolPort-039-194-592 |
0.67 |
COC(=O)CCNC(=O)[C@H](CC1=CN(C)C2=CC=CC=C12)NC(=O)OC(C)(C)C
|
|
| MolPort-001-739-348 |
0.67 |
O=C1NC(CC2=CNC3=CC=CC=C23)C(=O)N2CCCC12
|
|
| MolPort-004-051-274 |
0.67 |
C=CCN(CC=C)C(=O)CN1C(=O)NC(CC2=CNC3=CC=CC=C23)C1=O
|
|
| MolPort-044-560-315 |
0.67 |
NCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](C(C1=CC=CC=C1)C1=CC=CC=C1)C(=O)N[C@@H](CCCCN)C(N)=O
|
|
| MolPort-019-934-903 |
0.67 |
CCCNC(=O)[C@@H]1CC2=CN(CC=C)C3=CC=CC([C@H](CC(C)C)N1)=C23
|
|
| MolPort-045-936-468 |
0.67 |
C[C@@H]1N(C)C(=O)[C@H](CC2=CNC3=CC=CC=C23)NC(=O)CN(CCNC(=O)[C@H](CC2=CC=CC=C2)NC1=O)C(=O)C1=CC=C(C=C1)C(C)(C)C
|
|
| MolPort-004-607-683 |
0.67 |
CC(C)(C)NC(=O)CNC(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)C1=CC=CC=C1Cl
|
|
| MCULE-9193028419 |
0.67 |
CC(N[C@H](C(N1CCN(CC2=CC=CC=C2)CC1)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-4374805560 |
0.67 |
CNC([C@@H](NC(C1C2(CCNCC2)C1)=O)CC1C2C=CC=CC=2NC=1)=O
|
|
| MCULE-2016678700 |
0.67 |
CC(NC(C(N1CC(C(O)=O)(C)CC1)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-9669744197 |
0.67 |
CC(NC(C(N1CC(C(=O)O)CC1)=O)CC1C2C=CC=CC=2NC=1)=O
|
|
| MCULE-2145847106 |
0.67 |
ClC1=C(C(NC(C(N2CC=C(C3=CC=CC=C3)CC2)=O)CC2C3=C(C=CC=C3)NC=2)=O)C=CC=C1
|
|
| MCULE-1136881648 |
0.67 |
CCCCC(C(O)=O)NC(C(NC(C)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-7983163081 |
0.67 |
CCCCC(C(=O)O)NC(C(NC(C(C)C)=O)CC1C2C=CC=CC=2NC=1)=O
|
|
| MCULE-5482619864 |
0.67 |
CN1C(=O)C(NC([C@H](CC2C3C=CC=CC=3NC=2)N)=O)CC1
|
|
| MCULE-9022255399 |
0.67 |
N1(CCN(CC1)C(CC(C1C=CC(C)=CC=1)C1=CN(C)C2=C1C=CC=C2)=O)CC=CC1C=CC=CC=1
|
|
| MCULE-3510402604 |
0.67 |
C(=O)(C(C(C)CC)NC(=O)C(CC1C2C=CC=CC=2NC=1)NC(=O)OC(C)(C)C)NC(CC(C)C)C(N)=O
|
|
| MCULE-7733444455 |
0.67 |
N1[C@H](CC2C3C=CC=CC=3NC=2)C(=O)NCCCN(CCCC(=O)N[C@@H](C)C1=O)CC
|
|
| MCULE-9971021207 |
0.67 |
C1(CC(NC(=O)OC(C)(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(N)=O)C2C=CC=CC=2NC=1
|
|
| MCULE-9323781976 |
0.67 |
N1[C@H](CC2C3C=CC=CC=3NC=2)C(=O)N[C@@H](CCCN)C1=O
|
|
| MCULE-5788528615 |
0.67 |
N1[C@H](CC2C3C=CC=CC=3NC=2)C(=O)NCCCNCCCC(=O)N[C@@H](C)C1=O
|
|
| MCULE-2417291989 |
0.67 |
CC(NC(C(N1CCC(O)CCC1)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-1880703167 |
0.67 |
N1(CCN(CC1)C(CC(C1=CC=CC(=C1)C(F)(F)F)C1C2C=CC=CC=2N(C=1)C)=O)CC=CC1C=CC=CC=1
|
|
| MCULE-7240620126 |
0.67 |
C(NC(=O)[C@@H]1CC2=CN(C)C3C=CC=C([C@@H](N1)CC(C)C)C2=3)CN1CCCC1
|
|
| MCULE-3792038676 |
0.67 |
CCNC(C(NC(C)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-7234740049 |
0.67 |
CNC([C@@H](NC(C(CN)C)=O)CC1C2C=CC=CC=2NC=1)=O
|
|
| MCULE-9086908022 |
0.67 |
C1=CC=C2C(C(CC(NC(C)=O)C(NC34CC5CC(C)(C3)CC(C)(C4)C5)=O)=CN2)=C1
|
|
| MCULE-9344047325 |
0.67 |
CC(N[C@H](C(NC1CCCCCC1)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-2414048285 |
0.67 |
C1=CC=C2C(C(CC(NC(C)=O)C(=O)NC34CC5CC(C3)CC(C4)C5)=CN2)=C1
|
|
| MCULE-1760648664 |
0.67 |
CC(N[C@H](C(NCC1CCCCC1)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-3329325347 |
0.67 |
CCC1=CC=C(C(N(C)C)CNC(C(NC(C)=O)CC2C3=C(C=CC=C3)NC=2)=O)C=C1
|
|
| MCULE-3502593202 |
0.67 |
CC(NC(C(NC1C2(CCC2)CC1)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-9146887242 |
0.67 |
N1[C@@H](C(C)C)C(=O)N(C)CC(=O)N[C@@H](CC2C=CC=CC=2)C(NCCCN(C(=O)CC2C3C=CC=CC=3N(C)C=2)[C@H](C)C1=O)=O
|
|
| MCULE-5865864737 |
0.67 |
CC(NC(C(NC(=O)C)CC1C2C=CC=CC=2NC=1)=O)CCC(=O)O
|
|
| MCULE-5286187914 |
0.67 |
N1[C@@H](C2CCCCC2)C(=O)N[C@@H](CC2C3C=CC=CC=3NC=2)C1=O
|
|
| MCULE-4626554097 |
0.67 |
CC(C(NC(C(N1CC(C(=O)O)CC1)=O)CC1C2C=CC=CC=2NC=1)=O)C
|
|
| MCULE-6935954685 |
0.67 |
CN(C(CCC1C2C=CC=CC=2N(C)C=1)=O)CC(N1CC(C(=O)O)CCC1)=O
|
|
| MCULE-9395949776 |
0.67 |
CC(C(NC(C(N1CC(C(=O)O)(C)CC1)=O)CC1C2C=CC=CC=2NC=1)=O)C
|
|
| MCULE-5951968340 |
0.67 |
CC(NC(C(N1CCC2(C(C(=O)O)C2)CC1)=O)CC1C2C=CC=CC=2NC=1)=O
|
|
| MCULE-8225340955 |
0.67 |
CC(C(NC(C(N1C(CC(=O)O)CCC1)=O)CC1C2C=CC=CC=2NC=1)=O)C
|
|
| MCULE-8860027500 |
0.67 |
N12C[C@@H](C[C@H]1C(=O)NCCCC[C@H](NC(=O)C=CC1C=CC=CC=1)C(N[C@H](C)C(=O)N[C@@H](CC1C3C=CC=CC=3NC=1)C(=O)N[C@H](CC(C)C)C2=O)=O)O
|
|
| MCULE-9020973594 |
0.67 |
CNC([C@@H](NC(CCC1CNCC1)=O)CC1C2C=CC=CC=2NC=1)=O
|
|
| MCULE-1255594592 |
0.67 |
C1(CC(NC(=O)C2CCC(CC2)C)C(=O)NC2CCC(CC2)C)C2C=CC=CC=2NC=1
|
|
| MCULE-2941297900 |
0.67 |
O=C1[C@]2(N(C(=O)[C@H](CC3C4C=CC=CC=4NC=3)N1)CCC2)[H]
|
|
| MCULE-2407376492 |
0.67 |
C1(CC(NC(=O)C2CCC(CC2)C)C(=O)NC2CCCCC2C)C2C=CC=CC=2NC=1
|
|
| MCULE-7881070434 |
0.67 |
C1(C(=O)N2CCCC2C(=O)N1)CC1C2=C(C=CC=C2)NC=1
|
|
| MCULE-4509696467 |
0.67 |
C1CN2C(=O)[C@H](CC3C4=CC=CC=C4NC=3)NC(=O)[C@]2([H])C1
|
|
| MCULE-8943404456 |
0.67 |
N1(C)[C@@H](C)C(=O)N[C@@H](CC2C=CC=CC=2)C(=O)NCCN(C(=O)C2C=CC(=CC=2)C(C)(C)C)CC(=O)N[C@@H](CC2C3C=CC=CC=3NC=2)C1=O
|
|
| MCULE-1443904631 |
0.67 |
N1(CCNC(=O)[C@H](CC2=CC=CC=C2)NC([C@H](C)NC(=O)[C@@H](CC2C3C=CC=CC=3NC=2)NC(=O)[C@H]1C)=O)C(C1=CC=NC=C1)=O
|
|
| MCULE-8085363072 |
0.67 |
N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CNC2C=CC=CC1=2)C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N)=O)CCCCN)=O)C(C1C=CC=CC=1)C1C=CC=CC=1)=O)CC1=CNC2C=CC=CC1=2)=O)CCCCN)=O)CCCCN)=O)CC1=CNC2C=CC=CC1=2)=O
|
|
| MCULE-9568659186 |
0.67 |
N1(C)[C@@H](C)C(=O)N[C@@H](CC2C=CC=CC=2)C(=O)NCCN(C(C2=CC=NC=C2)=O)CC(=O)N[C@@H](CC2C3C=CC=CC=3NC=2)C1=O
|
|
| MCULE-3531146032 |
0.67 |
CC(C(NC(C(N1C(C)C(C(=O)O)CC1)=O)CC1C2C=CC=CC=2NC=1)=O)C
|
|
| MCULE-3141282019 |
0.67 |
CC(C(NC(C(NC(C(=O)O)CC(F)F)=O)CC1C2C=CC=CC=2NC=1)=O)C
|
|
| MCULE-6014720473 |
0.67 |
CC(C(NC(C(N1CC(C(=O)O)(C)CCC1)=O)CC1C2C=CC=CC=2NC=1)=O)C
|
|
| MCULE-3559960352 |
0.67 |
CC(NC(CNC(C(NC(C1=C(Cl)C=CC=C1)=O)CC1C2=C(C=CC=C2)NC=1)=O)=O)(C)C
|
|
| MCULE-5119580931 |
0.67 |
CC(C(NC(C(N1CC(C(=O)O)CCC1)=O)CC1C2C=CC=CC=2NC=1)=O)C
|
|
| MCULE-7406999086 |
0.67 |
C(=O)(C(C(C)C)NC(=O)C(CC1C2C=CC=CC=2NC=1)NC(=O)OC(C)(C)C)NC(CC(C)C)C(N)=O
|
|
| MCULE-1672152055 |
0.67 |
C=CCN(C(CN1C(=O)C(CC2C3=C(C=CC=C3)NC=2)NC1=O)=O)CC=C
|
|
| MCULE-7948058732 |
0.67 |
C1(C[C@@H](C(NCCC(OC)=O)=O)NC(=O)OC(C)(C)C)C2C=CC=CC=2N(C)C=1
|
|
| MCULE-9205183201 |
0.67 |
CCCNC(=O)[C@@H]1CC2=CN(C3C=CC=C([C@@H](N1)CC(C)C)C2=3)CC=C
|
|
| MCULE-8026450763 |
0.67 |
CN(C([C@H](CC1C2C=CC=CC=2NC=1)N)=O)CC=C
|
|
| MCULE-2163472306 |
0.67 |
CN(C(CNC([C@H](CC1C2C=CC=CC=2NC=1)N)=O)(C)C)C
|
|
| MCULE-8093893214 |
0.67 |
CC(N(C)C)CNC([C@H](CC1C2C=CC=CC=2NC=1)N)=O
|
|
| MCULE-1381953375 |
0.67 |
C[C@@H](C(=O)N)NC([C@H](CC1C2C=CC=CC=2NC=1)N)=O
|
|
| MCULE-8077370606 |
0.67 |
CC(NC([C@H]1N(C(C)=O)CCC1)=O)CC1C2=C(C=CC=C2)N(C)C=1
|
|
| MCULE-3513376168 |
0.67 |
CC(NC(CN1C(=O)CCCCC1)=O)CC1C2=C(C=CC=C2)N(C)C=1
|
|
| MCULE-6192231768 |
0.67 |
CCCC(CNC(C(NC(C)=O)CC1C2=C(C=CC=C2)NC=1)=O)(O)C
|
|
| MCULE-6227633374 |
0.67 |
N1(C)[C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NCCN(CC2=CC=NC=C2)CC(=O)N[C@@H](CC2C3C=CC=CC=3NC=2)C1=O
|
|
| MCULE-6250988652 |
0.67 |
N1(C)[C@@H](C)C(=O)N[C@@H](CC2C=CC=CC=2)C(=O)NCCN(C(=O)C2CCN(CC2)C(C2CCC2)=O)CC(=O)N[C@@H](CC2C3C=CC=CC=3NC=2)C1=O
|
|
| MCULE-8379760539 |
0.67 |
CC(NC(C(N[C@@H]1C[C@H](C(=O)O)C1)=O)CC1C2C=CC=CC=2NC=1)=O
|
|
| MCULE-8355010582 |
0.67 |
COCC1CCN(C(C(NC(C)=O)CC2C3=C(C=CC=C3)NC=2)=O)CC1
|
|
| MCULE-4645192653 |
0.67 |
CC(NC(C(N1CC(CCC(=O)O)CCC1)=O)CC1C2C=CC=CC=2NC=1)=O
|
|
| MCULE-3377418158 |
0.67 |
N12CCN(C[C@@H]1C(N[C@@H](CC1C3C=CC=CC=3NC=1)C2=O)=O)CC1C=CC2C(=CC=CN=2)C=1
|
|
| MCULE-8839941195 |
0.67 |
CC(NC(C(NC1CCC(C(=O)O)CC1)=O)CC1C2C=CC=CC=2NC=1)=O
|
|
| MCULE-6347045978 |
0.67 |
N12CCN(C[C@@H]1C(N[C@@H](CC1C3C=CC=CC=3NC=1)C2=O)=O)CC1C=CC=CC=1Cl
|
|
| MCULE-7083779153 |
0.67 |
N1(C)[C@@H](C)C(=O)N[C@@H](CC2C=CC=CC=2)C(=O)NCCN(C(=O)C2=CC=C(C=C2)CCC(C)(C)O)CC(=O)N[C@@H](CC2C3C=CC=CC=3NC=2)C1=O
|
|
| MCULE-3008608272 |
0.67 |
N12CCN(C[C@@H]1C(N[C@@H](CC1C3C=CC=CC=3NC=1)C2=O)=O)C(=O)C1=CC=CC(C)=C1
|
|
| MCULE-2341690893 |
0.67 |
N1([C@@H](C[C@@H](C1)NC(NCC=C)=O)C(=O)N[C@@H](C(N)=O)CC1=CNC2=C1C=CC=C2)C(/C=C(\C)/C)=O
|
|
| MCULE-3617844403 |
0.67 |
N1([C@@H](C[C@@H](C1)NC(NC1CCCCC1)=O)C(=O)N[C@@H](C(N)=O)CC1=CNC2=C1C=CC=C2)C(/C=C(\C)/C)=O
|
|
| MCULE-1722110699 |
0.67 |
N1(C)[C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NCCN(C(=O)CCN2CCCCC2=O)CC(=O)N[C@@H](CC2C3C=CC=CC=3NC=2)C1=O
|
|
| MCULE-3427280158 |
0.67 |
CC(NC(C(N1C(CC(=O)O)CCC1)=O)CC1C2C=CC=CC=2NC=1)=O
|
|
| MCULE-4203554619 |
0.67 |
CNC([C@@H](NC(C1CC2C(N)C(CCC2)C1)=O)CC1C2C=CC=CC=2NC=1)=O
|
|
| MolPort-045-908-651 |
0.67 |
O=C1N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)N2CCN(CC3=CC4=CC=CN=C4C=C3)C[C@H]12
|
|
| MolPort-023-159-440 |
0.67 |
CCCC(C)(O)CNC(=O)C(CC1=CNC2=CC=CC=C12)NC(C)=O
|
|
| MolPort-023-276-225 |
0.67 |
CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CC2=CC=CC=C2)NC1=O
|
|
| MolPort-023-276-228 |
0.67 |
CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](N)CC1=CC=CC=C1)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@H](CC1=CC2=CC=CC=C2C=C1)C(N)=O
|
|
| MolPort-020-227-653 |
0.67 |
CC1=CC=CC(=C1)C(=O)N1CCN2[C@H](C1)C(=O)N[C@@H](CC1=CNC3=CC=CC=C13)C2=O
|
|
| MolPort-045-931-885 |
0.67 |
C[C@@H]1N(C)C(=O)[C@H](CC2=CNC3=CC=CC=C23)NC(=O)CN(CCNC(=O)[C@H](CC2=CC=CC=C2)NC1=O)C(=O)C1=CC=C(CCC(C)(C)O)C=C1
|
|
| MolPort-044-493-156 |
0.67 |
COCC1CCN(CC1)C(=O)C(CC1=CNC2=CC=CC=C12)NC(C)=O
|
|
| MolPort-020-217-876 |
0.67 |
ClC1=C(CN2CCN3[C@H](C2)C(=O)N[C@@H](CC2=CNC4=CC=CC=C24)C3=O)C=CC=C1
|
|
| MolPort-046-788-414 |
0.67 |
N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H]1CCCCNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC2=CNC3=CC=CC=C23)NC1=O
|
|
| MolPort-001-748-976 |
0.67 |
CC(C)=CC(=O)N1C[C@H](C[C@H]1C(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(N)=O)NC(=O)NC1CCCCC1
|
|
| MolPort-001-748-972 |
0.67 |
CC(C)=CC(=O)N1C[C@H](C[C@H]1C(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(N)=O)NC(=O)NCC=C
|
|
| MolPort-006-489-467 |
0.67 |
CN1C=C(C(CC(=O)N2CCN(C\C=C\C3=CC=CC=C3)CC2)C2=CC=C(C)C=C2)C2=CC=CC=C12
|
|
| MolPort-044-693-265 |
0.67 |
NCCC[C@@H]1NC(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC1=O
|
|
| MolPort-001-952-900 |
0.67 |
CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)OC(C)(C)C)C(N)=O
|
|
| MolPort-005-797-266 |
0.67 |
ClC1=CC=CC=C1C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)N1CCC(=CC1)C1=CC=CC=C1
|
|
| MolPort-001-611-823 |
0.67 |
CCC(C)C(NC(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)OC(C)(C)C)C(=O)NC(CC(C)C)C(N)=O
|
|
| MolPort-009-345-340 |
0.67 |
CC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N1CCN(CC2=CC=CC=C2)CC1
|
|
| MolPort-046-568-910 |
0.67 |
CCN1CCCNC(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC(=O)[C@H](C)NC(=O)CCC1
|
|
| MolPort-019-934-793 |
0.66 |
CC(C)C[C@@H]1N[C@@H](CC2=CN(CC3=CC=CN=C3)C3=CC=CC1=C23)C(=O)NCC=C
|
|
| MolPort-009-631-571 |
0.66 |
CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)N1CCN(CC1)C(=O)CCC1CCCC1
|
|
| MolPort-009-319-607 |
0.66 |
CC(CC1=CC=CC(Cl)=C1)NC(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)C(C)C
|
|
| MolPort-020-211-452 |
0.66 |
O=C(N1CCN2[C@H](C1)C(=O)N[C@@H](CC1=CNC3=CC=CC=C13)C2=O)C1=CC=CC2=CC=CC=C12
|
|
| MolPort-042-665-481 |
0.66 |
CN1C=C(CC(NC(=O)OC(C)(C)C)C(=O)NC2CCCCCC2)C2=CC=CC=C12
|
|
| MolPort-020-190-170 |
0.66 |
O=C(N1CCN2[C@H](C1)C(=O)N[C@@H](CC1=CNC3=CC=CC=C13)C2=O)C1=CC2=CC=CC=C2C=C1
|
|
| MolPort-009-262-748 |
0.66 |
CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)N1CCN(CC1)C(=O)CC1CCCC1
|
|
| MolPort-039-195-669 |
0.66 |
CN1C=C(C[C@H](NC(=O)OC(C)(C)C)C(=O)NC2CCCCCC2)C2=CC=CC=C12
|
|
| MolPort-004-307-928 |
0.66 |
OC(=O)C(CC1=CNC2=CC=CC=C12)N1C(=O)C=CC1=O
|
|
| MolPort-004-031-809 |
0.66 |
CN(C)C(CNC(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)C1=CC=CC=C1Cl)C1=CC=CC=C1
|
|
| MolPort-044-431-089 |
0.66 |
CC(NC(=O)[C@H](CC1=CN(C)C2=CC=CC=C12)NC(=O)OC(C)(C)C)C12CC3CC(CC(C3)C1)C2
|
|
| MolPort-019-934-888 |
0.66 |
CC(C)C[C@@H]1N[C@@H](CC2=CN(CC=C)C3=CC=CC1=C23)C(=O)NCC1CC1
|
|
| MolPort-023-276-036 |
0.66 |
CC(C)C[C@@H]1NC(=O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(O)=O)NC(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC1=O)C(C)C
|
|
| MolPort-006-489-385 |
0.66 |
CN1C=C(C(CC(=O)N2CCN(C\C=C\C3=CC=CC=C3)CC2)C2=CC=C(Cl)C=C2)C2=CC=CC=C12
|
|
| MolPort-019-934-891 |
0.66 |
CC(C)C[C@@H]1N[C@@H](CC2=CN(CC=C)C3=CC=CC1=C23)C(=O)NC1CCC1
|
|
| MolPort-039-193-845 |
0.66 |
CC(C)C[C@@H]1NC(=O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC1=O)C(C)C
|
|
| MolPort-019-934-892 |
0.66 |
CC(C)C[C@@H]1N[C@@H](CC2=CN(CC=C)C3=CC=CC1=C23)C(=O)NC1CCCC1
|
|
| MolPort-046-568-756 |
0.66 |
CC(C)CC(=O)N1CCCNC(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC(=O)[C@H](C)NC(=O)CCC1
|
|
| MolPort-019-939-052 |
0.66 |
N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@H](CC1=CC=CC=C1)C(N)=O
|
|
| MolPort-005-953-607 |
0.66 |
CC(=O)N1CCN(C[C@@H]1C(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(N)=O)C(=O)C1CCNCC1
|
|
| MolPort-023-275-983 |
0.66 |
N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O
|
|
| MolPort-045-918-951 |
0.66 |
C[C@@H]1N(C)C(=O)[C@H](CC2=CNC3=CC=CC=C23)NC(=O)CN(CC2=CC(O)=CC=C2)CCNC(=O)[C@H](CC2=CC=CC=C2)NC1=O
|
|
| MolPort-046-568-377 |
0.66 |
CC(C)[C@H]1NC(=O)[C@H](C)N(C)C(=O)[C@H](CC2=CC=CC=C2)NC(=O)CN(C[C@H](NC(=O)[C@H](C)NC1=O)C1=CC=CC=C1)C(=O)CCC1=CNC2=CC=CC=C12
|
|
| MolPort-005-953-616 |
0.66 |
NC(=O)[C@@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@H]1CN(CCN1C(=O)C1CCNCC1)C(=O)C1CCNCC1
|
|
| MolPort-046-567-110 |
0.66 |
C[C@@H]1NC(=O)CCCN(CCCNC(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC1=O)C(C)=O
|
|
| MolPort-019-934-837 |
0.66 |
CC#CCN1C=C2C[C@H](N[C@@H](CC(C)C)C3=C2C1=CC=C3)C(=O)NCC=C
|
|
| MolPort-046-569-804 |
0.66 |
C[C@@H]1NC(=O)CCCN(CCC2=C(C)CCCC2(C)C)CCCNC(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC1=O
|
|
| MolPort-039-195-148 |
0.66 |
COC(=O)CNC(=O)[C@H](CC1=CN(C)C2=CC=CC=C12)NC(=O)OC(C)(C)C
|
|
| MolPort-039-195-471 |
0.66 |
CN1C=C(C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC2=CC=C(O)C=C2)C2=CC=CC=C12
|
|
| MolPort-046-418-747 |
0.66 |
C[C@H](NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)NCC(N)=O
|
|
| MolPort-044-709-595 |
0.66 |
O=C1CN(CC2=CC=CC=C2)C(=O)[C@@H](CC2=CNC3=CC=CC=C23)N1
|
|
| MolPort-045-912-671 |
0.66 |
O=C1CN(CC2=CC=CC=C2)C(=O)[C@H](CC2=CNC3=CC=CC=C23)N1
|
|
| MolPort-005-684-197 |
0.66 |
CN(C)C(CNC(=O)C(CC1=CNC2=CC=CC=C12)NC(C)=O)C1=CC=CC=C1Cl
|
|
| MolPort-046-567-911 |
0.66 |
CC(C)[C@H]1NC(=O)[C@H](CCCNC(=O)CN(C)C(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H](C)NC1=O)NC(=O)CC1=CN(C)C2=CC=CC=C12
|
|
| MolPort-020-221-664 |
0.66 |
CC1=CC=C(CN2CCN3[C@H](C2)C(=O)N[C@@H](CC2=CNC4=CC=CC=C24)C3=O)C=C1C
|
|
| MolPort-005-909-593 |
0.66 |
CC(C)CC(NC(C)=O)C(=O)NCC(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O
|
|
| MolPort-023-276-040 |
0.66 |
CC(C)C[C@@H]1NC(=O)CNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC2=CNC3=CC=CC=C23)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC1C
|
|
| MCULE-6263603868 |
0.66 |
C=CCNC(=O)[C@@H]1CC2=CN(C3C=CC=C([C@@H](N1)CC(C)C)C2=3)CC1C=NC=CC=1
|
|
| MCULE-1713697900 |
0.66 |
C1(C[C@H](NC(=O)OC(C)(C)C)C(=O)NC2CCCCCC2)C2C=CC=CC=2N(C)C=1
|
|
| MCULE-9966574685 |
0.66 |
C1(CC(NC(=O)OC(C)(C)C)C(=O)NC2CCCCCC2)C2C=CC=CC=2N(C)C=1
|
|
| MCULE-8187716016 |
0.66 |
COCC(C(=O)O)NC(C(NC(C(C)C)=O)CC1C2C=CC=CC=2NC=1)=O
|
|
| MCULE-3429041597 |
0.66 |
N12CCN(C[C@@H]1C(N[C@@H](CC1C3C=CC=CC=3NC=1)C2=O)=O)C(=O)C1=CC=C2C(C=CC=C2)=C1
|
|
| MCULE-4236633855 |
0.66 |
CC(C1(C(=O)O)CN(C(C(NC(=O)C)CC2C3C=CC=CC=3NC=2)=O)CC1)C
|
|
| MCULE-7947172683 |
0.66 |
N1(C)[C@@H](C)C(=O)N[C@@H](CC2C=CC=CC=2)C(=O)NCCN(CC2C=CC=NC=2)CC(=O)N[C@@H](CC2C3C=CC=CC=3NC=2)C1=O
|
|
| MCULE-3449595168 |
0.66 |
CC(NC(C(N1CC(C(=O)O)CCC1)=O)CC1C2C=CC=CC=2NC=1)=O
|
|
| MCULE-1550791582 |
0.66 |
CN(C(C1=CC=CC=C1)CNC(C(NC(C1=C(Cl)C=CC=C1)=O)CC1C2=C(C=CC=C2)NC=1)=O)C
|
|
| MCULE-9579003591 |
0.66 |
CC1N(C(C(NC(=O)C)CC2C3C=CC=CC=3NC=2)=O)CCC1C(=O)O
|
|
| MCULE-5588121916 |
0.66 |
CC(NC(C(N1CC(C(=O)O)(C)CCC1)=O)CC1C2C=CC=CC=2NC=1)=O
|
|
| MCULE-4736269967 |
0.66 |
N12CCN(C[C@@H]1C(N[C@@H](CC1C3C=CC=CC=3NC=1)C2=O)=O)C(=O)C1=CC=CC2=CC=CC=C12
|
|
| MCULE-8231565987 |
0.66 |
CC1CN(C(C(NC(=O)C)CC2C3C=CC=CC=3NC=2)=O)CC(C(=O)O)C1
|
|
| MCULE-9612048554 |
0.66 |
OC(C(N1C(=O)C=CC1=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-9551106766 |
0.66 |
CC(NC(C(N1CCN(C(CCC2CCCC2)=O)CC1)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-1704979522 |
0.66 |
CC(CC(NCC(NC(C(=O)O)CC1C2C=CC=CC=2NC=1)=O)=O)(C)C
|
|
| MCULE-8494169296 |
0.66 |
CC(C(NC(C(NC(CC1=CC(Cl)=CC=C1)C)=O)CC1C2=C(C=CC=C2)NC=1)=O)C
|
|
| MCULE-6273799905 |
0.66 |
CC(NC(C(N1CCN(C(CC2CCCC2)=O)CC1)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-3818795538 |
0.66 |
CCCC(NCC(NC(C(=O)O)CC1C2C=CC=CC=2NC=1)=O)=O
|
|
| MCULE-6156549038 |
0.66 |
CC(N(C1CC1)C)CNC([C@H](CC1C2C=CC=CC=2NC=1)N)=O
|
|
| MCULE-9316693120 |
0.66 |
C[C@H]1NCCN(C(CCC2C3C=CC=CC=3N(C)C=2)=O)C1
|
|
| MCULE-5853258396 |
0.66 |
C(C1CC1)NC(=O)[C@@H]1CC2=CN(C3C=CC=C([C@@H](N1)CC(C)C)C2=3)CC=C
|
|
| MCULE-2964450210 |
0.66 |
C1CCC1NC(=O)[C@@H]1CC2=CN(C3C=CC=C([C@@H](N1)CC(C)C)C2=3)CC=C
|
|
| MCULE-8518921166 |
0.66 |
C1CCCC1NC(=O)[C@@H]1CC2=CN(C3C=CC=C([C@@H](N1)CC(C)C)C2=3)CC=C
|
|
| MCULE-3336430043 |
0.66 |
C([C@H]1NC([C@@H](NC([C@H](NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(CC(=O)O)NC1=O)C(C)C)=O)CC(C)C)=O)C1=CNC2=CC=CC=C12
|
|
| MCULE-2331347080 |
0.66 |
N1(CCN(CC1)C(CC(C1C=CC(Cl)=CC=1)C1=CN(C)C2=C1C=CC=C2)=O)CC=CC1C=CC=CC=1
|
|
| MCULE-9336458597 |
0.66 |
[H][C@]12C(=O)N[C@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC3C4C=CC=CC=4NC=3)C(=O)N[C@H](CC(=O)O)C(=O)N1CCC2
|
|
| MCULE-5883720533 |
0.66 |
CC(NC(C(NCC1(C(O)=O)CCCCC1)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-4012270267 |
0.66 |
N1CCC(CC1)C(=O)N1CCN([C@H](C1)C(=O)N[C@H](CC1C2C=CC=CC=2NC=1)C(N)=O)C(C1CCNCC1)=O
|
|
| MCULE-6481786461 |
0.66 |
N1(C)[C@@H](C)C(=O)N[C@@H](CC2C=CC=CC=2)C(=O)NCCN(CC2=CC=CC(O)=C2)CC(=O)N[C@@H](CC2C3C=CC=CC=3NC=2)C1=O
|
|
| MCULE-1181426567 |
0.66 |
C(C1C=CC(O)=CC=1)[C@H](N)C(N1[C@@H](CCC1)C(N[C@H](C(N[C@@H](C(N)=O)CC1C=CC=CC=1)=O)CC1C2C=CC=CC=2NC=1)=O)=O
|
|
| MCULE-3130593675 |
0.66 |
C(N)(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1C2C(=CC=CC=2)NC=1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1C=CC(O)=CC=1)N
|
|
| MCULE-1070576812 |
0.66 |
NC([C@@H](CC1C2C=CC=CC=2NC=1)NC(=O)[C@@H]1N(C(=O)C)CCN(C(=O)C2CCNCC2)C1)=O
|
|
| MCULE-6613933798 |
0.66 |
N1[C@H](CC2C3C=CC=CC=3NC=2)C(=O)NCCCN(CCCC(=O)N[C@@H](C)C1=O)C(C)=O
|
|
| MCULE-8143204000 |
0.66 |
N1[C@H](CC2C3C=CC=CC=3NC=2)C(=O)NCCCN(CCCC(=O)N[C@@H](C)C1=O)C(=O)CC(C)C
|
|
| MCULE-6246409862 |
0.66 |
N1(C)[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C2=CC=CC=C2)CN(C(=O)CCC2C3=CC=CC=C3NC=2)CC(=O)N[C@@H](CC2=CC=CC=C2)C1=O
|
|
| MCULE-1160399504 |
0.66 |
CCCN(C([C@H](CC1C2C=CC=CC=2NC=1)N)=O)CC(=O)O
|
|
| MCULE-1306226651 |
0.66 |
CC(NC(C(N1CCN(C)CC1)C)=O)CC1C2=C(C=CC=C2)N(C)C=1
|
|
| MCULE-6831695577 |
0.66 |
CC([C@H](N(C)[C@H](/C=C(\C)/C(=O)O)C(C)C)C(=O)NC(=O)[C@@H](NC)C(C1C=CC=CC=1)(C)C)(C)C
|
|
| MCULE-5706684694 |
0.66 |
C=CCNC(=O)[C@@H]1CC2=CN(C3C=CC=C([C@@H](N1)CC(C)C)C2=3)CC#CC
|
|
| MCULE-6276455535 |
0.66 |
N1[C@H](CC2C3C=CC=CC=3NC=2)C(=O)NCCCN(CCCC(=O)N[C@@H](C)C1=O)CCC1C(C)(C)CCCC=1C
|
|
| MCULE-4515123032 |
0.66 |
C1(C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(OC)=O)C2C=CC=CC=2N(C)C=1
|
|
| MCULE-8627934928 |
0.66 |
C1(CC(C(NCCC2=CC=C(C=C2)O)=O)NC(=O)OC(C)(C)C)C2C=CC=CC=2N(C)C=1
|
|
| MCULE-1436527570 |
0.66 |
C1(C[C@@H](C(NCCC2=CC=C(C=C2)O)=O)NC(=O)OC(C)(C)C)C2C=CC=CC=2N(C)C=1
|
|
| MCULE-7096089222 |
0.66 |
C(N[C@@H](C)C(N[C@@H](CO)C(N[C@@H](CC1=CC=CC=C1)C(N[C@@H](CC1C=CC(O)=CC=1)C(N[C@@H](CO)C(N[C@@H](CC1C2C(=CC=CC=2)NC=1)C(NCC(N)=O)=O)=O)=O)=O)=O)=O)(CN)=O
|
|
| MCULE-7773527938 |
0.66 |
N12CCN(C[C@@H]1C(N[C@@H](CC1C3C=CC=CC=3NC=1)C2=O)=O)CC1C=CC(=C(C)C=1)C
|
|
| MCULE-9652160420 |
0.66 |
N1[C@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N(CC(=O)NCCC[C@@H](C1=O)NC(=O)CC1C2C=CC=CC=2N(C)C=1)C
|
|
| MCULE-5367452693 |
0.66 |
CN(C(C1=C(Cl)C=CC=C1)CNC(C(NC(C)=O)CC1C2=C(C=CC=C2)NC=1)=O)C
|
|
| MCULE-8364892677 |
0.66 |
N1(CC2C=CC=CC=2)CC(=O)N[C@@H](CC2C3C=CC=CC=3NC=2)C1=O
|
|
| MCULE-7263959713 |
0.66 |
N1(CC2C=CC=CC=2)CC(=O)N[C@H](CC2C3C=CC=CC=3NC=2)C1=O
|
|
| MCULE-2517024272 |
0.66 |
CC(NC(C1N(C)C(=O)CC1)=O)CC1C2=C(C=CC=C2)N(C)C=1
|
|
| MCULE-2507270195 |
0.66 |
CN(C1(CCCC1)CNC([C@H](CC1C2C=CC=CC=2NC=1)N)=O)C
|
|
| MCULE-2554756674 |
0.66 |
C(NC(=O)[C@@H]1CC2=CN(C3C=CC=C([C@@H](N1)CC(C)C)C2=3)CC1=CC=NC=C1)CN(C)C
|
|
| MCULE-7173781172 |
0.66 |
C(C1CC1)NC(=O)[C@@H]1CC2=CN(C)C3C=CC=C([C@@H](N1)CC(C)C)C2=3
|
|
| MCULE-8433134534 |
0.66 |
N12CCN(C[C@@H]1C(N[C@@H](CC1C3C=CC=CC=3NC=1)C2=O)=O)CC1C=CC=CC=1OC
|
|
| MCULE-6558720331 |
0.66 |
COCCC(C(=O)O)NC(C(NC(C(C)C)=O)CC1C2C=CC=CC=2NC=1)=O
|
|
| MCULE-8108510575 |
0.66 |
N1(CCN(CC1)C(CC(C1C=CC(=CC=1)C)C1C2C=CC=CC=2N(C=1)CC)=O)CC=CC1C=CC=CC=1
|
|
| MCULE-7984464755 |
0.66 |
COCCC(C(=O)O)NC(C(NC(=O)C)CC1C2C=CC=CC=2NC=1)=O
|
|
| MCULE-3301075873 |
0.66 |
N12CCN(C[C@@H]1C(N[C@@H](CC1C3C=CC=CC=3NC=1)C2=O)=O)CC1C=CC=CC=1C
|
|
| MCULE-7346185184 |
0.66 |
CCCNC([C@@H](NC(C1=C(Cl)C=CC=C1)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-5714243868 |
0.66 |
N1[C@@H](C2=CC=CC=C2)C(=O)N[C@H](CC2C3C=CC=CC=3NC=2)C1=O
|
|
| MCULE-6077575144 |
0.66 |
N1[C@H](CC2C3C=CC=CC=3NC=2)C(=O)NCCCN(CCCC(=O)N[C@@H](C)C1=O)C(=O)C1CC1
|
|
| MCULE-6479772637 |
0.66 |
COC(N1CCN(C(C(NC(C)=O)CC2C3=C(C=CC=C3)NC=2)=O)CC1)=O
|
|
| MCULE-5571412605 |
0.66 |
N1[C@@H](C2=CC=CC=C2)C(=O)N[C@@H](CC2C3C=CC=CC=3NC=2)C1=O
|
|
| MCULE-2621407100 |
0.66 |
N1[C@H](C2C=CC=CC=2)C(=O)N[C@@H](CC2C3C=CC=CC=3NC=2)C1=O
|
|
| MCULE-7711328680 |
0.66 |
CC(CCC(NCC(NC(C(O)=O)CC1C2=C(C=CC=C2)NC=1)=O)=O)C
|
|
| MCULE-2000771766 |
0.66 |
C1C=CC2C(CC(N)C(=O)NC(CC3=CC=CC=C3)C(O)=O)=CNC=2C=1
|
|
| MCULE-1812051560 |
0.66 |
COCCNC(CNC([C@H](CC1C2C=CC=CC=2NC=1)N)=O)=O
|
|
| MCULE-9252164735 |
0.66 |
CC(NC(C(N1CCC(C(N)=O)CC1)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-9691150822 |
0.66 |
CC(NC(CN1CC(=O)N(C)CC1)=O)CC1C2=C(C=CC=C2)N(C)C=1
|
|
| MCULE-7314090585 |
0.66 |
C1=CC=CC=C1CNC(=O)[C@@H]1CC2=CN(C3C=CC=C([C@@H](N1)CC(C)C)C2=3)CC=C
|
|
| MCULE-9476329736 |
0.66 |
OC(=O)C(F)(F)F.C(C1=CNC2C=CC=CC1=2)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@H](NC([C@@H](NC(=O)[C@@H](N)CC(=O)O)CC1C=CC(O)=CC=1)=O)CC1=CNC2C=CC=CC1=2)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N)CCCCN)CC1=CNC2C=CC=CC1=2
|
|
| MCULE-7395350737 |
0.66 |
N12CCN(C[C@@H]1C(N[C@@H](CC1C3C=CC=CC=3NC=1)C2=O)=O)CC1=CC=CC2=CC=CN=C12
|
|
| MCULE-7575747965 |
0.66 |
N1(C)[C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NCCN(CC(=O)N[C@@H](CC2C3C=CC=CC=3NC=2)C1=O)C(=O)C1C=CNC=1
|
|
| MCULE-8187680986 |
0.66 |
C1(CC(C(NCCCOCC)=O)NC(=O)C2CCC(CC2)C)C2C=CC=CC=2NC=1
|
|
| MCULE-1350200343 |
0.66 |
C1(CC(C(NCCCOC(C)C)=O)NC(=O)C2CCC(CC2)C)C2C=CC=CC=2NC=1
|
|
| MCULE-1777169846 |
0.66 |
N12CCN(C[C@@H]1C(N[C@@H](CC1C3C=CC=CC=3NC=1)C2=O)=O)CC1=CC=C(C=C1)Cl
|
|
| MCULE-2641383818 |
0.66 |
CN1C(=O)N(CC(N2CC(C3C4=C(C=CC=C4)N(C)C=3)CC2)=O)C(=O)C1
|
|
| MCULE-6420041314 |
0.66 |
CC(NC(C(N1CC(C(F)(F)F)CCC1)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-7372212759 |
0.66 |
N12CCC[C@@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@H](CN(C(=O)CCC1C3=CC=CC=C3NC=1)CC(=O)N[C@@H](C)C2=O)CC1=CC=CC=C1
|
|
| MCULE-6720170221 |
0.66 |
CN(C(CCC1C2C=CC=CC=2N(C)C=1)=O)C(C(=O)O)CC1C=CC=CC=1
|
|
| MCULE-6309680617 |
0.66 |
N[C@H](C(N1CC2N(CCCC2)CC1)=O)CC1C2C=CC=CC=2NC=1
|
|
| MCULE-7636993349 |
0.66 |
CN(C1(CCCCC1)CNC([C@H](CC1C2C=CC=CC=2NC=1)N)=O)C
|
|
| MolPort-019-934-765 |
0.66 |
CC(C)C[C@@H]1N[C@@H](CC2=CN(C)C3=CC=CC1=C23)C(=O)NCC1CC1
|
|
| MolPort-019-934-813 |
0.66 |
CC(C)C[C@@H]1N[C@@H](CC2=CN(CC3=CC=NC=C3)C3=CC=CC1=C23)C(=O)NCCN(C)C
|
|
| MolPort-023-276-184 |
0.66 |
CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C1=CC=CC=C1)C(N)=O
|
|
| MolPort-020-222-419 |
0.66 |
COC1=C(CN2CCN3[C@H](C2)C(=O)N[C@@H](CC2=CNC4=CC=CC=C24)C3=O)C=CC=C1
|
|
| MolPort-006-485-896 |
0.66 |
CCN1C=C(C(CC(=O)N2CCN(C\C=C\C3=CC=CC=C3)CC2)C2=CC=C(C)C=C2)C2=CC=CC=C12
|
|
| MolPort-003-296-524 |
0.66 |
CCCNC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)C1=C(Cl)C=CC=C1
|
|
| MolPort-045-905-183 |
0.66 |
CC1=C(CN2CCN3[C@H](C2)C(=O)N[C@@H](CC2=CNC4=CC=CC=C24)C3=O)C=CC=C1
|
|
| MolPort-044-710-248 |
0.66 |
O=C1N[C@H](C(=O)N[C@@H]1CC1=CNC2=CC=CC=C12)C1=CC=CC=C1
|
|
| MolPort-009-341-989 |
0.66 |
COC(=O)N1CCN(CC1)C(=O)C(CC1=CNC2=CC=CC=C12)NC(C)=O
|
|
| MolPort-019-639-992 |
0.66 |
CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)N1CCC(CC1)C(N)=O
|
|
| MolPort-045-921-140 |
0.66 |
O=C1N[C@@H](C(=O)N[C@H]1CC1=CNC2=CC=CC=C12)C1=CC=CC=C1
|
|
| MolPort-046-570-276 |
0.66 |
C[C@@H]1NC(=O)CCCN(CCCNC(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC1=O)C(=O)C1CC1
|
|
| MolPort-003-959-685 |
0.66 |
NC(CC1=CNC2=CC=CC=C12)C(=O)NC(CC1=CC=CC=C1)C(O)=O
|
|
| MolPort-045-920-222 |
0.66 |
O=C1N[C@H](C(=O)N[C@H]1CC1=CNC2=CC=CC=C12)C1=CC=CC=C1
|
|
| MolPort-028-774-025 |
0.66 |
CC(C)CCC(=O)NCC(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O
|
|
| MolPort-019-934-890 |
0.66 |
CC(C)C[C@@H]1N[C@@H](CC2=CN(CC=C)C3=CC=CC1=C23)C(=O)NCC1=CC=CC=C1
|
|
| MolPort-007-592-280 |
0.66 |
CC(C)OCCCNC(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)C1CCC(C)CC1
|
|
| MolPort-020-197-569 |
0.66 |
ClC1=CC=C(CN2CCN3[C@H](C2)C(=O)N[C@@H](CC2=CNC4=CC=CC=C24)C3=O)C=C1
|
|
| MolPort-007-592-279 |
0.66 |
CCOCCCNC(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)C1CCC(C)CC1
|
|
| MolPort-020-231-326 |
0.66 |
O=C1N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)N2CCN(CC3=CC=CC4=CC=CN=C34)C[C@H]12
|
|
| MolPort-046-697-132 |
0.66 |
OC(=O)C(F)(F)F.CC(C)[C@H](NC(=O)[C@@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](CCCCN)C(N)=O
|
|
| MolPort-044-561-269 |
0.66 |
N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(O)=O
|
|
| MolPort-007-167-910 |
0.66 |
CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)N1CCCC(C1)C(F)(F)F
|
|
| MolPort-044-460-060 |
0.66 |
CN1CC(=O)N(CC(=O)N2CCC(C2)C2=CN(C)C3=CC=CC=C23)C1=O
|
|
| MolPort-046-569-319 |
0.66 |
CC(C)[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](C)NC(=O)CN(C[C@H](CC2=CC=CC=C2)NC1=O)C(=O)CCC1=CNC2=CC=CC=C12
|
|
| MolPort-019-934-769 |
0.65 |
CC(C)C[C@@H]1N[C@@H](CC2=CN(C)C3=CC=CC1=C23)C(=O)NC1CCCC1
|
|
| MolPort-019-934-790 |
0.65 |
CCCNC(=O)[C@@H]1CC2=CN(CC3CC3)C3=CC=CC([C@H](CC(C)C)N1)=C23
|
|
| MolPort-010-240-221 |
0.65 |
CCC(C)NC(=O)C(C)NC(=O)CCC1=CNC2=CC=CC=C12
|
|
| MolPort-009-232-929 |
0.65 |
CCCNC(=O)C(C)NC(=O)CCC1=CNC2=CC=CC=C12
|
|
| MolPort-023-297-168 |
0.65 |
CN(C)CCNC(=O)CCC1=CN(C)C2=CC=CC=C12
|
|
| MolPort-046-418-728 |
0.65 |
CC(C)[C@H](NC(=O)[C@@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](CCCCN)C(N)=O
|
|
| MolPort-023-276-171 |
0.65 |
CC(C)[C@H](NC(=O)[C@@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](CCCCN)C(N)=O
|
|
| MolPort-046-569-047 |
0.65 |
COC1=CC=C(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC3=CNC4=CC=CC=C34)NC(=O)CN(C[C@@H](NC(=O)[C@@H](C)NC2=O)C(C)C)C(=O)CCO)C=C1
|
|
| MolPort-046-568-038 |
0.65 |
C[C@@H]1NC(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC(=O)[C@@H](C)N(CCNC(=O)[C@H](CC2=CC=CC=C2)NC1=O)C(=O)C1=CN=CC=C1
|
|
| MolPort-020-220-527 |
0.65 |
ClC1=C(C=CC=C1)C(=O)N1CCN2[C@H](C1)C(=O)N[C@@H](CC1=CNC3=CC=CC=C13)C2=O
|
|
| MolPort-045-935-110 |
0.65 |
C[C@@H]1N(C)C(=O)[C@H](CC2=CNC3=CC=CC=C23)NC(=O)CN(CCNC(=O)[C@H](CC2=CC=CC=C2)NC1=O)C(=O)C1=CN=CC=C1
|
|
| MolPort-046-576-301 |
0.65 |
COC1=CC=C(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC3=CNC4=CC=CC=C34)NC(=O)CN(C[C@@H](NC(=O)[C@@H](C)NC2=O)C(C)C)C(C)=O)C=C1
|
|
| MolPort-041-854-355 |
0.65 |
CC(CNC(=O)C(CC1=CNC2=CC(F)=CC=C12)NC(C)=O)C(O)=O
|
|
| MolPort-001-899-100 |
0.65 |
O=C(NC(CC1=CNC2=CC=CC=C12)C(=O)NC1CCCCC1)C(C1=CC=CC=C1)C1=CC=CC=C1
|
|
| MolPort-046-574-970 |
0.65 |
COC1=CC=C(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC3=CNC4=CC=CC=C34)NC(=O)CN(C[C@@H](NC(=O)[C@@H](C)NC2=O)C(C)C)C(=O)CNC(C)=O)C=C1
|
|
| MolPort-005-614-629 |
0.65 |
ClC1=CC=CC=C1C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)NC1CC1
|
|
| MolPort-041-821-906 |
0.65 |
CC(=O)NC(CC1=CNC2=CC(F)=CC=C12)C(=O)NCCC(O)=O
|
|
| MolPort-045-940-579 |
0.65 |
OC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)CN1CCCCCC1
|
|
| MolPort-046-575-164 |
0.65 |
C[C@@H]1NC(=O)CCCN(CCCNC(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC1=O)C(=O)CO
|
|
| MolPort-009-511-996 |
0.65 |
CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)NCC(N1CCCC1)C1=CC=CC=C1Cl
|
|
| MolPort-046-568-593 |
0.65 |
COC1=CC=C(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC3=CNC4=CC=CC=C34)NC(=O)CNC[C@@H](NC(=O)[C@@H](C)NC2=O)C(C)C)C=C1
|
|
| MolPort-046-532-414 |
0.65 |
CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)N1CC[C@@H](O)C1
|
|
| MolPort-046-569-558 |
0.65 |
COC1=CC=C(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC3=CNC4=CC=CC=C34)NC(=O)CN(C[C@@H](NC(=O)[C@@H](C)NC2=O)C(C)C)C(=O)CN(C)C)C=C1
|
|
| MolPort-004-036-392 |
0.65 |
CCCCNC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)C1=CC=CC=C1Cl
|
|
| MolPort-039-139-478 |
0.65 |
OC(=O)\C=C\C(O)=O.CN(C)N(C)C(=O)[C@@]1(CC2=CC=CC=C2)CCCN(C1)C(=O)[C@@H](CC1=CNC2=CC=CC=C12)NC(=O)C(C)(C)N
|
|
| MolPort-005-777-942 |
0.65 |
OC(=O)CCNC(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)C1=CC=C(F)C=C1
|
|
| MolPort-046-573-232 |
0.65 |
C[C@@H]1NC(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC(=O)[C@@H](C)N(CCNC(=O)[C@H](CC2=CC=CC=C2)NC1=O)C(=O)[C@H]1CCCO1
|
|
| MolPort-046-573-495 |
0.65 |
C[C@@H]1NC(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC(=O)[C@@H](C)N(CCNC(=O)[C@H](CC2=CC=CC=C2)NC1=O)C(=O)[C@@H]1CCCO1
|
|
| MolPort-046-567-554 |
0.65 |
C[C@@H]1NC(=O)CCCN(CC2=CC=CC=C2)CCCNC(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC1=O
|
|
| MolPort-004-036-992 |
0.65 |
CCCCCNC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)C1=CC=CC=C1Cl
|
|
| MolPort-020-195-961 |
0.65 |
ClC1=CC=CC(CN2CCN3[C@H](C2)C(=O)N[C@@H](CC2=CNC4=CC=CC=C24)C3=O)=C1
|
|
| MolPort-020-231-967 |
0.65 |
CC1=CC(CN2CCN3[C@H](C2)C(=O)N[C@@H](CC2=CNC4=CC=CC=C24)C3=O)=C(C)C=C1
|
|
| MolPort-020-203-951 |
0.65 |
CC1=CC(C)=C(CN2CCN3[C@H](C2)C(=O)N[C@@H](CC2=CNC4=CC=CC=C24)C3=O)C=C1
|
|
| MolPort-003-331-656 |
0.65 |
CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)NC(CC(O)=O)C1=CC=C(C)C=C1
|
|
| MolPort-005-598-845 |
0.65 |
O=C(CN1C(=O)NC(CC2=CNC3=CC=CC=C23)C1=O)N1CCC(=CC1)C1=CC=CC=C1
|
|
| MolPort-044-581-462 |
0.65 |
CN1C=C(CCC(=O)N2CCCCC2C(N)=O)C2=CC=CC=C12
|
|
| MolPort-029-912-359 |
0.65 |
CN(C(=O)CCC1=CN(C)C2=CC=CC=C12)C1(CCCC1)C(N)=O
|
|
| MCULE-6142557838 |
0.65 |
CC(NC([C@H](CC1C2C=CC=CC=2NC=1)N)=O)CN1CCCCC1
|
|
| MCULE-7354341052 |
0.65 |
CC(NC([C@H](CC1C2C=CC=CC=2NC=1)N)=O)CN1C(=O)CCC1
|
|
| MCULE-7880724558 |
0.65 |
CC(NCCNC([C@H](CC1C2C=CC=CC=2NC=1)N)=O)=O
|
|
| MCULE-2997068111 |
0.65 |
CC(N(C(C)C)CCNC([C@H](CC1C2C=CC=CC=2NC=1)N)=O)C
|
|
| MCULE-5960930800 |
0.65 |
CC(C(NCCNC([C@H](CC1C2C=CC=CC=2NC=1)N)=O)=O)C
|
|
| MCULE-6223199935 |
0.65 |
CNCCN(C([C@H](CC1C2C=CC=CC=2NC=1)N)=O)C
|
|
| MCULE-1896518791 |
0.65 |
CN(CCNC([C@H](CC1C2C=CC=CC=2NC=1)N)=O)C
|
|
| MCULE-2084675584 |
0.65 |
CCC(NC(C(NC(CCC1C2=C(C=CC=C2)NC=1)=O)C)=O)C
|
|
| MCULE-1507081827 |
0.65 |
CCCN(CCNC([C@H](CC1C2C=CC=CC=2NC=1)N)=O)CC
|
|
| MCULE-3691573108 |
0.65 |
CCCNC(C(NC(CCC1C2=C(C=CC=C2)NC=1)=O)C)=O
|
|
| MCULE-4381806857 |
0.65 |
CCN(CC(NC([C@H](CC1C2C=CC=CC=2NC=1)N)=O)C)CC
|
|
| MCULE-7240137965 |
0.65 |
CCN(CCNC([C@H](CC1C2C=CC=CC=2NC=1)N)=O)CC
|
|
| MCULE-1119377341 |
0.65 |
CC(N(CCNC([C@H](CC1C2C=CC=CC=2NC=1)N)=O)C)C
|
|
| MCULE-1670871307 |
0.65 |
CCC(N(CCNC([C@H](CC1C2C=CC=CC=2NC=1)N)=O)C)C
|
|
| MCULE-4606034301 |
0.65 |
N1(C)C2=CC=CC=C2C(CCC(NCCN(C)C)=O)=C1
|
|
| MCULE-2512781153 |
0.65 |
CCCNC(=O)[C@@H]1CC2=CN(C3C=CC=C([C@@H](N1)CC(C)C)C2=3)CC1CC1
|
|
| MCULE-2513306573 |
0.65 |
C1CCCC1NC(=O)[C@@H]1CC2=CN(C)C3C=CC=C([C@@H](N1)CC(C)C)C2=3
|
|
| MCULE-3108151196 |
0.65 |
N12CCN(C[C@@H]1C(N[C@@H](CC1C3C=CC=CC=3NC=1)C2=O)=O)C(=O)C1=CC=CC=C1Cl
|
|
| MCULE-9614077534 |
0.65 |
C(C1=CNC2C=CC=CC1=2)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@H](NC([C@@H](NC(=O)[C@@H](N)CC(=O)O)CC1C=CC(O)=CC=1)=O)CC1=CNC2C=CC=CC1=2)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N)CCCCN)CC1=CNC2C=CC=CC1=2
|
|
| MCULE-1517816076 |
0.65 |
C(C1=CNC2C=CC=CC1=2)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(N)CC(O)=O)CC1C=CC(O)=CC=1)CC1=CNC2C=CC=CC1=2)C(=O)NC(C(=O)NC(C(=O)N)CCCCN)CC1=CNC2C=CC=CC1=2
|
|
| MCULE-4459960557 |
0.65 |
N1(CCNC(=O)[C@H](CC2C=CC=CC=2)NC([C@H](C)NC(=O)[C@@H](CC2C3C=CC=CC=3NC=2)NC(=O)[C@H]1C)=O)C(=O)C1=CC=CN=C1
|
|
| MCULE-5838031158 |
0.65 |
N1(CC(=O)N[C@H](CC2C3C=CC=CC=3NC=2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2C=CC(=CC=2)OC)C(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C1)C(=O)CCO
|
|
| MCULE-1658455593 |
0.65 |
N1(C)[C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NCCN(C(=O)C2=CC=CN=C2)CC(=O)N[C@@H](CC2C3C=CC=CC=3NC=2)C1=O
|
|
| MCULE-8448562381 |
0.65 |
N1(CC(=O)N[C@H](CC2C3C=CC=CC=3NC=2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CC=C(C=C2)OC)C(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C1)C(=O)CN(C)C
|
|
| MCULE-6652976112 |
0.65 |
CCCCNC([C@@H](NC(C1=C(Cl)C=CC=C1)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-4530445784 |
0.65 |
N1(CC(=O)N[C@H](CC2C3C=CC=CC=3NC=2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CC=C(C=C2)OC)C(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C1)C(C)=O
|
|
| MCULE-1260698981 |
0.65 |
ClC1=C(C(NC(C(NC2CC2)=O)CC2C3=C(C=CC=C3)NC=2)=O)C=CC=C1
|
|
| MCULE-6860635598 |
0.65 |
OC(C(NC(CN1C(=O)CCCCCC1)=O)CC1C2C=CC=CC=2NC=1)=O
|
|
| MCULE-4050953741 |
0.65 |
CC(C(NC(C(=O)O)CC1C2C=CC=CC=2NC=1)=O)NC(C1CCCC1)=O
|
|
| MCULE-2884326171 |
0.65 |
OC(C(NC(CN1C(=O)CCCCC1)=O)CC1C2C=CC=CC=2NC=1)=O
|
|
| MCULE-4785798449 |
0.65 |
CC(C(=O)O)CNC(C(NC(=O)C)CC1C2C=CC(=CC=2NC=1)F)=O
|
|
| MCULE-8743946755 |
0.65 |
N1[C@@H](CC2C=CC(=CC=2)OC)C(=O)N[C@H](C)C(=O)N[C@H](CNCC(=O)N[C@H](CC2C3C=CC=CC=3NC=2)C(=O)N[C@@H](CC(C)C)C1=O)C(C)C
|
|
| MCULE-4190294939 |
0.65 |
N1[C@H](CC2C3C=CC=CC=3NC=2)C(=O)NCCCN(CCCC(=O)N[C@@H](C)C1=O)C(CO)=O
|
|
| MCULE-5087241768 |
0.65 |
N1(CC(=O)N[C@H](CC2C3C=CC=CC=3NC=2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CC=C(C=C2)OC)C(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C1)C(=O)CNC(C)=O
|
|
| MCULE-3016334853 |
0.65 |
CN(C(C(NC(=O)C)CC1C2C=CC(=CC=2NC=1)F)=O)CCC(=O)O
|
|
| MCULE-8747741394 |
0.65 |
CC(NC(C(NCC(C1=C(Cl)C=CC=C1)N1CCCC1)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-5744251985 |
0.65 |
CC(NC(C(NCCC(=O)O)=O)CC1C2C=CC(=CC=2NC=1)F)=O
|
|
| MCULE-1351560099 |
0.65 |
CC(C(=O)O)CN(C(C(NC(=O)C)CC1C2C=CC(=CC=2NC=1)F)=O)C
|
|
| MCULE-4838345659 |
0.65 |
CC(NC(C(N1[C@@H]2[C@@H]([C@@H](C2(C)C)O)CCC1)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-9547451321 |
0.65 |
CC(NC(C(N1C[C@H](O)CC1)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-4800356853 |
0.65 |
C(=O)(C(C1C=CC=CC=1)C1C=CC=CC=1)NC(CC1C2=CC=CC=C2NC=1)C(=O)NC1CCCCC1
|
|
| MCULE-4351923002 |
0.65 |
C1(C[C@@H](C(O)=O)NC(=O)CN2CCCCCC2)C2C=CC=CC=2NC=1
|
|
| MCULE-1783363637 |
0.65 |
CN(C1(CCN(C(C(NC(C)=O)CC2C3C=CC=CC=3NC=2)=O)CC1)C)C
|
|
| MCULE-6094763706 |
0.65 |
CC(NC(C(N1CC(C(F)(F)F)CC1)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-1447077543 |
0.65 |
C(O)(=O)/C=C/C(O)=O.C12NC=C(C[C@](NC(=O)C(C)(C)N)([H])C(=O)N3C[C@@](CC4C=CC=CC=4)(C(=O)N(C)N(C)C)CCC3)C1=CC=CC=2
|
|
| MCULE-7068811896 |
0.65 |
CC1CCCC=1C(NC(C(=O)O)CC1C2C=C(C=CC=2NC=1)Br)=O
|
|
| MCULE-3256047556 |
0.65 |
N[C@H](C(N[C@@H]1CNCCC1)=O)CC1C2C=CC=CC=2NC=1
|
|
| MCULE-5302705309 |
0.65 |
CCN1C(CNC([C@H](CC2C3C=CC=CC=3NC=2)N)=O)CCC1
|
|
| MCULE-1673118960 |
0.65 |
N1(CCNC(=O)[C@H](CC2=CC=CC=C2)NC([C@H](C)NC(=O)[C@@H](CC2C3C=CC=CC=3NC=2)NC(=O)[C@H]1C)=O)C(=O)[C@H]1CCCO1
|
|
| MCULE-7395151642 |
0.65 |
N1(CCNC(=O)[C@H](CC2=CC=CC=C2)NC([C@H](C)NC(=O)[C@@H](CC2C3C=CC=CC=3NC=2)NC(=O)[C@H]1C)=O)C(=O)[C@@H]1CCCO1
|
|
| MCULE-8295125957 |
0.65 |
N1(C)[C@@H](C)C(=O)N[C@@H](CC2C=CC=CC=2)C(=O)NCCN(C(=O)[C@@H]2CCCO2)CC(=O)N[C@@H](CC2C3C=CC=CC=3NC=2)C1=O
|
|
| MCULE-2184707344 |
0.65 |
OC(CCNC(C(NC(C1=CC=C(F)C=C1)=O)CC1C2=C(C=CC=C2)NC=1)=O)=O
|
|
| MCULE-6877029498 |
0.65 |
CC(NC(C(NC(C1=CC=C(C)C=C1)CC(O)=O)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-6221618941 |
0.65 |
N12CCN(C[C@@H]1C(N[C@@H](CC1C3C=CC=CC=3NC=1)C2=O)=O)CC1C=CC=C(Cl)C=1
|
|
| MCULE-4736212220 |
0.65 |
CCCCCNC([C@@H](NC(C1=C(Cl)C=CC=C1)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-1438605748 |
0.65 |
N12CCN(C[C@@H]1C(N[C@@H](CC1C3C=CC=CC=3NC=1)C2=O)=O)CC1C=C(C)C=CC=1C
|
|
| MCULE-2524064810 |
0.65 |
N12CCN(C[C@@H]1C(N[C@@H](CC1C3C=CC=CC=3NC=1)C2=O)=O)CC1C=CC(=CC=1C)C
|
|
| MCULE-4669176731 |
0.65 |
N1[C@H](CC2C3C=CC=CC=3NC=2)C(=O)NCCCN(CCCC(=O)N[C@@H](C)C1=O)CC1C=CC=CC=1
|
|
| MCULE-3318000136 |
0.65 |
O=C(N1CC=C(C2=CC=CC=C2)CC1)CN1C(=O)C(CC2C3=C(C=CC=C3)NC=2)NC1=O
|
|
| MCULE-6809916132 |
0.65 |
CN(C1(C(N)=O)CCCC1)C(CCC1C2=C(C=CC=C2)N(C)C=1)=O
|
|
| MCULE-6048373465 |
0.65 |
CN1C2=C(C=CC=C2)C(CCC(N2C(C(N)=O)CCCC2)=O)=C1
|
|
| MCULE-5775730629 |
0.65 |
CC(N1CC(NC(CCC2C3C=CC=CC=3N(C)C=2)=O)C1)C
|
|
| MCULE-4535135636 |
0.65 |
CCN(C1CC1)CCNC([C@H](CC1C2C=CC=CC=2NC=1)N)=O
|
|
| MCULE-2980082678 |
0.65 |
N[C@H](C(NCCN1CCCC1)=O)CC1C2C=CC=CC=2NC=1
|
|
| MCULE-7502008617 |
0.65 |
N[C@H](C(NCCNC(C1CC1)=O)=O)CC1C2C=CC=CC=2NC=1
|
|
| MCULE-1326610156 |
0.65 |
CC(CN1CCN(C([C@H](CC2C3C=CC=CC=3NC=2)N)=O)CC1)C
|
|
| MCULE-7761926454 |
0.65 |
CN1C2C=CC=CC=2C(CCC(N2CCNCC2)=O)=C1
|
|
| MCULE-4024720195 |
0.65 |
C1(C[C@H](N)C(=O)N2CCN(CC2)C)C2C=CC=CC=2NC=1
|
|
| MCULE-7959604366 |
0.65 |
CN1CCN(C([C@H](CC2C3C=CC=CC=3NC=2)N)=O)CC1
|
|
| MCULE-9283918950 |
0.65 |
CCN1CCN(C([C@H](CC2C3C=CC=CC=3NC=2)N)=O)CC1
|
|
| MCULE-6588448289 |
0.65 |
N[C@H](C(N1CCNCC1)=O)CC1C2C=CC=CC=2NC=1
|
|
| MCULE-8775897600 |
0.65 |
CC(N1CCN(C([C@H](CC2C3C=CC=CC=3NC=2)N)=O)CC1)=O
|
|
| MCULE-8641455191 |
0.65 |
CC(N1CCN(C([C@H](CC2C3C=CC=CC=3NC=2)N)=O)CC1)C
|
|
| MCULE-2573657607 |
0.65 |
CC(C(N1CCN(C([C@H](CC2C3C=CC=CC=3NC=2)N)=O)CC1)=O)C
|
|
| MCULE-2092291499 |
0.65 |
CN(C1CC1)CCNC([C@H](CC1C2C=CC=CC=2NC=1)N)=O
|
|
| MCULE-4408064797 |
0.65 |
N12CCN(C[C@@H]1C(N[C@@H](CC1C3C=CC=CC=3NC=1)C2=O)=O)CC1=CC=CC2=C1C=CC=N2
|
|
| MCULE-8103407996 |
0.65 |
N1(CC(=O)N[C@H](CC2C3C=CC=CC=3NC=2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2C=CC(=CC=2)OC)C(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C1)C(C1CCC1)=O
|
|
| MCULE-9366011698 |
0.65 |
CCCN(C(C(NC(=O)C)CC1C2C=CC(=CC=2NC=1)F)=O)CC(=O)O
|
|
| MCULE-1566166703 |
0.65 |
CC(NC(C(NC(=O)C)CC1C2C=CC(=CC=2NC=1)F)=O)CC(=O)O
|
|
| MCULE-9782708787 |
0.65 |
ClC1=C(C(NC(C(N2CCN(C(C3CC3)=O)CC2)=O)CC2C3=C(C=CC=C3)NC=2)=O)C=CC=C1
|
|
| MCULE-9581632844 |
0.65 |
C(=O)(C(C1=CC=CC=C1)C1C=CC=CC=1)NC(CC1C2=CC=CC=C2NC=1)C(=O)NC1CCCCCC1
|
|
| MCULE-5362239374 |
0.65 |
C1(CC(C(NCCCN2CC(C)CC(C)C2)=O)NC(=O)C2CCC(CC2)C)C2C=CC=CC=2NC=1
|
|
| MCULE-1410156312 |
0.65 |
CC(N[C@H](C(N1CCN(CC2=C(C)C=CC=C2)CC1)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-8594921517 |
0.65 |
COCCN(C([C@H](CC1C2C=CC=CC=2NC=1)N)=O)CC(N(C)C)=O
|
|
| MCULE-9181615933 |
0.65 |
C1(C[C@H](NC(=O)OC(C)(C)C)C(=O)N2CCN(CC2)CC2=CC=CN=C2)C2C=CC=CC=2N(C)C=1
|
|
| MCULE-4851420045 |
0.65 |
C1(CC(NC(=O)OC(C)(C)C)C(=O)N2CCN(CC2)CC2=CC=CN=C2)C2C=CC=CC=2N(C)C=1
|
|
| MCULE-9738866567 |
0.65 |
C1(CC(NC(C)=O)C(=O)NC(C)C2=CC=CC=C2)C2C=CC=CC=2NC=1
|
|
| MCULE-2254030547 |
0.65 |
CN1CCN(C(C(NC(N)=O)CC2C3=C(C=CC=C3)NC=2)=O)CC1
|
|
| MCULE-3896949644 |
0.65 |
CC(N[C@H](C(NCC1=CC=CC=C1)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-7884072546 |
0.65 |
CN1C2=C(C=CC=C2)C(CCC(N2CC(NC3COC3)C2)=O)=C1
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|
| MCULE-3417493038 |
0.65 |
C1(C[C@H](NC(=O)OC(C)(C)C)C(=O)NC2CC(C)(C)NC(C)(C)C2)C2C=CC=CC=2N(C)C=1
|
|
| MCULE-2006156096 |
0.65 |
CC(NC(=O)[C@@H]1CC2=CN(C3C=CC=C([C@@H](N1)CC(C)C)C2=3)CC1CC1)C
|
|
| MCULE-2183951174 |
0.65 |
C1(CC(NC(=O)OC(C)(C)C)C(=O)NC2CC(C)(C)NC(C)(C)C2)C2C=CC=CC=2N(C)C=1
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|
| MCULE-2099752853 |
0.65 |
CC([C@H](C(=O)O)NC(CCC1C2C=CC=CC=2N(C)C=1)=O)C
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|
| MCULE-8684853738 |
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N1(CCNCC1C(=O)NC1CC1)C(=O)CCC1C2=CC=CC=C2NC=1
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|
| MCULE-7012339623 |
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CC([C@@H](C(=O)O)NC(CCC1C2C=CC=CC=2N(C)C=1)=O)C
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|
| MCULE-7505761449 |
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N[C@H](C(N1CC2N(CCC2)CC1)=O)CC1C2C=CC=CC=2NC=1
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|
| MCULE-7060897536 |
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CC(C(=O)O)N(C(CCC1C2C=CC=CC=2NC=1)=O)CCNC(=O)C
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|
| MCULE-9043091270 |
0.65 |
CN(C1CN(C([C@H](CC2C3C=CC=CC=3NC=2)N)=O)CCC1)C
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|
| MCULE-8744192439 |
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CNC1CN(C([C@H](CC2C3C=CC=CC=3NC=2)N)=O)CCC1
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| MCULE-3809469996 |
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CCC(C(=O)O)NC(CCC1C2C=CC=CC=2N(C)C=1)=O
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| MCULE-8053279197 |
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CCC(C(=O)O)(NC(CCC1C2C=CC=CC=2N(C)C=1)=O)C
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|
| MCULE-4491648052 |
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CC(C(=O)O)N(C(CCC1C2C=CC=CC=2N(C)C=1)=O)C1CC1
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|
| MCULE-3538377783 |
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CC(C(C(O)=O)NC(CCC1C2=C(C=CC=C2)N(C)C=1)=O)C
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|
| MCULE-6644587833 |
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CC(NC1CN(C([C@H](CC2C3C=CC=CC=3NC=2)N)=O)CCC1)=O
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| MCULE-6492321330 |
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C(C(C)C)[C@H](C(N[C@@H](C(C)C)C(N[C@@H](C(C)C)C(N[C@H](C(N1[C@H](CCC1)C(N[C@@H](C(N[C@H]([C@H](O)C)C(O)=O)=O)CC1C2C=CC=CC=2NC=1)=O)=O)CC1C=CC(O)=CC=1)=O)=O)=O)N
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| MCULE-9395245324 |
0.65 |
C[C@H]([C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC(C)C)C(C)C)C(C)C)CC1C=CC(O)=CC=1)CC1C2C=CC=CC=2NC=1)C(=O)O)O
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| MCULE-5879560604 |
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C1(CC(NC(=O)C2CCC(CC2)CCCCCC)C(=O)NC(C(C)C)C(OC)=O)C2C=CC=CC=2NC=1
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| MCULE-5330954177 |
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C1(CC(NC(=O)C2CCC(CC2)C)C(=O)NC(C(C)C)C(OC)=O)C2C=CC=CC=2NC=1
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| MCULE-2992398676 |
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CC1CCN(CCNC([C@H](CC2C3C=CC=CC=3NC=2)N)=O)CC1
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| MCULE-8563590060 |
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CN(C1CCCC1)CCNC([C@H](CC1C2C=CC=CC=2NC=1)N)=O
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|
| MCULE-5412889688 |
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N[C@H](C(NCCN1CCCCC1)=O)CC1C2C=CC=CC=2NC=1
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| MCULE-5760151030 |
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C1N(C(=O)[C@@H]2CC3=CN(C4C=CC=C([C@@H](N2)CC(C)C)C3=4)CC=C)CCN(CCOC)C1
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| MCULE-8063672820 |
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C1(C[C@@H](NC(OCC)=O)C(=O)NC2CC2)C2C=CC=CC=2NC=1
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| MCULE-9315528048 |
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C1(C[C@H](C(NCCC2C3C=CC=CC=3NC=2)=O)NC(OCC)=O)C2C=CC=CC=2NC=1
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| MCULE-8234379534 |
0.65 |
N1(C)[C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NCCN(C(=O)C2CCN(CC2)C(=O)N(C)C)CC(=O)N[C@@H](CC2C3C=CC=CC=3NC=2)C1=O
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| MCULE-9397643029 |
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OC(C(NC(CNC(CC1CCCCC1)=O)=O)CC1C2C=CC=CC=2NC=1)=O
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|
| MCULE-5700229775 |
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OC(C(NC(CNC(CCC1CCCC1)=O)=O)CC1C2C=CC=CC=2NC=1)=O
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|
| MCULE-5214977297 |
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CCC1C(O)CN(C(C(NC(C)=O)CC2C3=C(C=CC=C3)NC=2)=O)C1
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|
| MCULE-6500652625 |
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C1(CC(NC(OCC)=O)C(=O)NC2CC2)C2C=CC=CC=2NC=1
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|
| MCULE-9390519760 |
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CC(NC(C(NCCN1CCOCC1)=O)CC1C2=C(C=CC=C2)NC=1)=O
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|
| MCULE-9703658977 |
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CC(NC(C(NCC(NC1=CC=CC=C1)=O)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-5751554151 |
0.65 |
C1(C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC2CCOCC2)C2C=CC=CC=2N(C)C=1
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|
| MCULE-9205090418 |
0.65 |
C1(CC(NC(=O)OC(C)(C)C)C(=O)NCC2CCOCC2)C2C=CC=CC=2N(C)C=1
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|
| MCULE-7582762548 |
0.65 |
C1CCCC1NC(=O)[C@@H]1CC2=CN(C3C=CC=C([C@@H](N1)CC(C)C)C2=3)CC1CC1
|
|
| MCULE-2801378185 |
0.65 |
C1CCC1NC(=O)[C@@H]1CC2=CN(C3C=CC=C([C@@H](N1)CC(C)C)C2=3)CC1CC1
|
|
| MCULE-6937530832 |
0.65 |
CCCNC(=O)[C@@H]1CC2=CN(C3C=CC=C([C@@H](N1)CC(C)C)C2=3)CC1=CC=NC=C1
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|
| MCULE-1877889202 |
0.65 |
COC(C=C(CN1CCN(C(CC2C3C=CC=CC=3NC=2)=O)CC1)C)=O
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|
| MCULE-5357638957 |
0.65 |
CC(C(NC(C(=O)O)CC1C2C=CC=CC=2NC=1)=O)NC(C(C)(C)C)=O
|
|
| MCULE-1279343621 |
0.65 |
N1(CC(=O)N[C@H](CC2C3C=CC=CC=3NC=2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2C=CC(=CC=2)OC)C(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C1)C(=O)CCOC
|
|
| MCULE-3172916145 |
0.65 |
CC1CCC(NC(C(NC(C2=C(Cl)C=CC=C2)=O)CC2C3=C(C=CC=C3)NC=2)=O)CC1
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|
| MCULE-4899078057 |
0.65 |
C1(CC(NC(=O)C=CCC(C)C)C(OC)=O)C2C=CC=CC=2NC=1
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|
| MCULE-6440461947 |
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CC(CN(C(CCC1C2C=CC=CC=2N(C)C=1)=O)CC(=O)O)C
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|
| MCULE-9569834952 |
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CN(CC1N(C(CCC2C3=C(C=CC=C3)N(C)C=2)=O)CCCC1)C
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|
| MCULE-4452881719 |
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C(C(C)=CC)(N1CCC(CC1)C1=CN(CCCCC)C2C1=CC=CC=2)=O
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|
| MCULE-8918855322 |
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N1(C)C2=CC=CC=C2C(CCC(=O)NCC2CCCN2CC)=C1
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|
| MCULE-5191798470 |
0.65 |
CN([C@H]1[C@H](NC(CCC2C3=C(C=CC=C3)N(C)C=2)=O)CCC1)C
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|
| MCULE-7111754548 |
0.65 |
CCCN(C(CCC1C2C=CC=CC=2N(C)C=1)=O)CC(=O)O
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|
| MCULE-8924574826 |
0.65 |
N[C@H](C(N1CCN(CCO)CC1)=O)CC1C2C=CC=CC=2NC=1
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|
| MCULE-4040763657 |
0.65 |
CCC(N(C(CCC1C2C=CC=CC=2N(C)C=1)=O)CC(=O)O)C
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|
| MCULE-8973290001 |
0.65 |
C1(CC(NCCNC(CCC2C3=CC=CC=C3NC=2)=O)=O)C2C=CC=CC=2NC=1
|
|
| MCULE-8415846374 |
0.65 |
CC(NC(C(N1CC(CC2=CN(C)N=C2)C1)=O)CC1C2C=CC=CC=2NC=1)=O
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|
| MCULE-7197954410 |
0.65 |
N12C[C@@H](C[C@H]1C(=O)N[C@H](C(C)C)CC[C@@H](C)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)N
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|
| MCULE-1425657007 |
0.65 |
N1(CC(=O)N[C@H](CC2C3C=CC=CC=3NC=2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2C=CC(=CC=2)OC)C(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C1)C(CCC1=CC=NC=C1)=O
|
|
| MCULE-6932463095 |
0.65 |
N1[C@H](CC2C3C=CC=CC=3NC=2)C(=O)NCCCN(CCCC(=O)N[C@@H](C)C1=O)C(C1=CC=CC=C1)=O
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|
| MCULE-9218941012 |
0.65 |
N[C@H](C(N1CCN(CC2CC2)CC1)=O)CC1C2C=CC=CC=2NC=1
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|
| MCULE-3437668652 |
0.65 |
N1(C(C)C)C2=CC=CC=C2C(CCC(NCCN(C)C)=O)=C1
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|
| MCULE-9033443045 |
0.65 |
N[C@H](C(N1CCN(C2CC2)CC1)=O)CC1C2C=CC=CC=2NC=1
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|
| MCULE-1996955089 |
0.65 |
N[C@H](C(N1CCN(C2CCC2)CC1)=O)CC1C2C=CC=CC=2NC=1
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|
| MolPort-003-788-888 |
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CN1CCN(CC1)C(=O)[C@@H](N)CC1=CNC2=CC=CC=C12
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| MolPort-035-752-948 |
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CC(C)N1CC(C1)NC(=O)CCC1=CN(C)C2=CC=CC=C12
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| MolPort-046-575-535 |
0.65 |
COC1=CC=C(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC3=CNC4=CC=CC=C34)NC(=O)CN(C[C@@H](NC(=O)[C@@H](C)NC2=O)C(C)C)C(=O)C2CCC2)C=C1
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| MolPort-020-221-178 |
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O=C1N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)N2CCN(CC3=CC=CC4=NC=CC=C34)C[C@H]12
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| MolPort-005-564-170 |
0.65 |
ClC1=CC=CC=C1C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)N1CCN(CC1)C(=O)C1CC1
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| MolPort-001-899-101 |
0.65 |
O=C(NC(CC1=CNC2=CC=CC=C12)C(=O)NC1CCCCCC1)C(C1=CC=CC=C1)C1=CC=CC=C1
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| MolPort-002-985-150 |
0.65 |
CC1CCC(CC1)C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)NCCCN1CC(C)CC(C)C1
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0.65 |
CN1C=C(C[C@H](NC(=O)OC(C)(C)C)C(=O)N2CCN(CC3=CC=CN=C3)CC2)C2=CC=CC=C12
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|
| MolPort-009-345-189 |
0.65 |
CC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N1CCN(CC2=CC=CC=C2C)CC1
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|
| MolPort-042-664-912 |
0.65 |
CN1C=C(CC(NC(=O)OC(C)(C)C)C(=O)N2CCN(CC3=CC=CN=C3)CC2)C2=CC=CC=C12
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| MolPort-029-929-659 |
0.65 |
CC(C)C(NC(=O)CCC1=CN(C)C2=CC=CC=C12)C(O)=O
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|
| MolPort-019-934-785 |
0.65 |
CC(C)C[C@@H]1N[C@@H](CC2=CN(CC3CC3)C3=CC=CC1=C23)C(=O)NC(C)C
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|
| MolPort-020-231-147 |
0.65 |
O=C(CCC1=CNC2=CC=CC=C12)N1CCNCC1C(=O)NC1CC1
|
|
| MolPort-004-028-947 |
0.65 |
CC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)NCC1=CC=CC=C1
|
|
| MolPort-002-954-158 |
0.65 |
CC(NC(=O)C(CC1=CNC2=CC=CC=C12)NC(C)=O)C1=CC=CC=C1
|
|
| MolPort-042-665-361 |
0.65 |
CN1C=C(CC(NC(=O)OC(C)(C)C)C(=O)NC2CC(C)(C)NC(C)(C)C2)C2=CC=CC=C12
|
|
| MolPort-039-195-726 |
0.65 |
CN1C=C(C[C@H](NC(=O)OC(C)(C)C)C(=O)NC2CC(C)(C)NC(C)(C)C2)C2=CC=CC=C12
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|
| MolPort-046-532-211 |
0.65 |
CN1CCN(CC1)C(=O)C(CC1=CNC2=CC=CC=C12)NC(N)=O
|
|
| MolPort-023-276-607 |
0.65 |
CC(C)C[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
|
|
| MolPort-046-423-376 |
0.65 |
COC(=O)C(NC(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)C12CC3CC(CC(C3)C1)C2)C(C)C
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|
| MolPort-019-939-179 |
0.65 |
CC(C)C[C@@H](N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@H]([C@@H](C)O)C(O)=O
|
|
| MolPort-007-592-384 |
0.65 |
CCCCCCC1CCC(CC1)C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)NC(C(C)C)C(=O)OC
|
|
| MolPort-002-985-148 |
0.65 |
COC(=O)C(NC(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)C1CCC(C)CC1)C(C)C
|
|
| MolPort-019-934-904 |
0.65 |
COCCN1CCN(CC1)C(=O)[C@@H]1CC2=CN(CC=C)C3=CC=CC([C@H](CC(C)C)N1)=C23
|
|
| MolPort-019-741-515 |
0.65 |
CCOC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)NC1CC1
|
|
| MolPort-002-513-684 |
0.65 |
CCOC(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)NCCC1=CNC2=CC=CC=C12
|
|
| MolPort-002-561-974 |
0.65 |
CCOC(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)NC1CC1
|
|
| MolPort-027-926-421 |
0.65 |
CCC1CN(CC1O)C(=O)C(CC1=CNC2=CC=CC=C12)NC(C)=O
|
|
| MolPort-009-085-621 |
0.65 |
CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)NCC(=O)NC1=CC=CC=C1
|
|
| MolPort-010-310-072 |
0.65 |
CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)NCCN1CCOCC1
|
|
| MolPort-019-934-822 |
0.65 |
CCCNC(=O)[C@@H]1CC2=CN(CC3=CC=NC=C3)C3=CC=CC([C@H](CC(C)C)N1)=C23
|
|
| MolPort-019-934-780 |
0.65 |
CC(C)C[C@@H]1N[C@@H](CC2=CN(CC3CC3)C3=CC=CC1=C23)C(=O)NC1CCC1
|
|
| MolPort-019-934-781 |
0.65 |
CC(C)C[C@@H]1N[C@@H](CC2=CN(CC3CC3)C3=CC=CC1=C23)C(=O)NC1CCCC1
|
|
| MolPort-039-195-011 |
0.65 |
CN1C=C(C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC2CCOCC2)C2=CC=CC=C12
|
|
| MolPort-005-911-293 |
0.65 |
O=C(CCC1=CNC2=CC=CC=C12)NCCNC(=O)CC1=CNC2=CC=CC=C12
|
|
| MolPort-028-933-760 |
0.65 |
COC(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)\C=C\CC(C)C
|
|
| MolPort-009-502-636 |
0.65 |
CC1CCC(CC1)NC(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)C1=CC=CC=C1Cl
|
|
| MolPort-044-581-453 |
0.65 |
CN(C)CC1CCCCN1C(=O)CCC1=CN(C)C2=CC=CC=C12
|
|
| MolPort-028-604-796 |
0.65 |
CCN1CCCC1CNC(=O)CCC1=CN(C)C2=CC=CC=C12
|
|
| MolPort-046-568-521 |
0.65 |
COCCC(=O)N1C[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](CC2=CC=C(OC)C=C2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC(=O)C1)C(C)C
|
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| MolPort-046-569-420 |
0.65 |
COC1=CC=C(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC3=CNC4=CC=CC=C34)NC(=O)CN(C[C@@H](NC(=O)[C@@H](C)NC2=O)C(C)C)C(=O)CCC2=CC=NC=C2)C=C1
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|
| MolPort-046-568-868 |
0.65 |
C[C@@H]1NC(=O)CCCN(CCCNC(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC1=O)C(=O)C1=CC=CC=C1
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|
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0.65 |
CC(C)[C@@H]1CC[C@@H](C)CC(=O)N[C@H](CC2=CNC3=CC=CC=C23)C(=O)N2C[C@H](N)C[C@H]2C(=O)N1
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| MolPort-023-293-796 |
0.65 |
CC(C)N1C=C(CCC(=O)NCCN(C)C)C2=CC=CC=C12
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|
| MolPort-046-702-792 |
0.64 |
NCC(=O)NCC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=O
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|
| MolPort-002-126-492 |
0.64 |
COC1=CC=C(CCNC(=O)C(CC2=CNC3=CC=CC=C23)NC(C)=O)C=C1
|
|
| MolPort-027-662-228 |
0.64 |
CN1C=C(CCC(=O)NC(C)(C(N)=O)C2=CC=CC=C2)C2=CC=CC=C12
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0.64 |
NC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)NC1CCCCC1
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0.64 |
O=C(CCC1=CNC2=CC=CC=C12)N1CCN2C(C1)C(=O)NCC2=O
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| MolPort-005-953-608 |
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NC(=O)[C@@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@H]1CN(CCN1C(=O)C1CCCCC1)C(=O)C1CCNCC1
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| MolPort-019-934-732 |
0.64 |
CC(C)C[C@@H]1N[C@@H](CC2=CNC3=CC=CC1=C23)C(=O)NCCN(C)C
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|
| MolPort-009-057-184 |
0.64 |
CC(C)CC(NC(=O)CCC1=CNC2=CC=CC=C12)C(=O)N(C)C
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| MolPort-041-848-140 |
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CC(NC(=O)C(CC1=CNC2=CC(F)=CC=C12)NC(C)=O)C(O)=O
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|
| MolPort-005-589-920 |
0.64 |
ClC1=CC=CC=C1C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)NCCC1=CCCCC1
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| MolPort-039-058-694 |
0.64 |
CN1C=C(C[C@H](NC(=O)OC(C)(C)C)C(=O)NC2CCN(CC3=CC=CC=C3)CC2)C2=CC=CC=C12
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| MolPort-009-509-613 |
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O=C(CCC1=CNC2=CC=CC=C12)N1CCNC(=O)C1
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| MolPort-042-664-866 |
0.64 |
CN1C=C(CC(NC(=O)OC(C)(C)C)C(=O)NC2CCN(CC3=CC=CC=C3)CC2)C2=CC=CC=C12
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|
| MolPort-004-213-576 |
0.64 |
CC1CC(C)CN(C1)C(=O)C(CC1=CNC2=CC=CC=C12)NC(N)=O
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|
| MolPort-007-945-912 |
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O=C(NCC1=CC=CC=C1)C(CC1=CNC2=CC=CC=C12)NC(=O)C1=CC=CC=C1
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| MolPort-006-449-985 |
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FC1=CC=C(CN2C=C(C(CC(=O)N3CCN(C\C=C\C4=CC=CC=C4)CC3)C3=CC=CC=C3)C3=CC=CC=C23)C=C1
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| MolPort-005-917-931 |
0.64 |
O=C(CCC1=CNC2=CC=CC=C12)N1CCN(CC1)C(=O)\C=C\C1=CC=CC=C1
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| MolPort-046-706-241 |
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COC(=O)CCCNC(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)C1=CC=CC=C1Cl
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| MolPort-036-447-934 |
0.64 |
O=C(NCC1=CC=CC=C1)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)C1=CC=CC=C1
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| MolPort-004-213-575 |
0.64 |
CC1CCCN(C1)C(=O)C(CC1=CNC2=CC=CC=C12)NC(N)=O
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|
| MolPort-045-905-431 |
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CSC1=CC=CC(CN2CCN3[C@H](C2)C(=O)N[C@@H](CC2=CNC4=CC=CC=C24)C3=O)=C1
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|
| MolPort-020-232-028 |
0.64 |
FC1=CC=C(C=C1)C(=O)N1CCN2[C@H](C1)C(=O)N[C@@H](CC1=CNC3=CC=CC=C13)C2=O
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|
| MolPort-002-523-217 |
0.64 |
CCCNC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)C1CCN(CC1)C(=O)CNC(=O)OC(C)(C)C
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|
| MolPort-046-640-468 |
0.64 |
CC1=C2NC=C(CC(=O)NC(C)(C)C=CC(O)=O)C2=CC=C1
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|
| MolPort-001-749-035 |
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O=C(N[C@H]1CCN2[C@@H]1C(=O)N[C@H](CC1=CNC3=CC=CC=C13)C2=O)C1=CC=CC=C1
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C[C@@H]1N(C)C(=O)[C@H](CC2=CNC3=CC=CC=C23)NC(=O)CN(CCNC(=O)[C@H](CC2=CC=CC=C2)NC1=O)C(=O)C1=CC(C)=NC(C)=C1
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| MolPort-028-604-693 |
0.64 |
CCN1CCCC1CNC(=O)CCC1=CN(C(C)C)C2=CC=CC=C12
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|
| MolPort-005-911-259 |
0.64 |
O=C(CCC1=CNC2=CC=CC=C12)N1CCN(CC1)C(=O)CC1=CNC2=CC=CC=C12
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|
| MolPort-003-959-681 |
0.64 |
NC(CC1=CNC2=CC=CC=C12)C(=O)NCC(O)=O
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|
| MolPort-012-232-132 |
0.64 |
N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)NCC(O)=O
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|
| MolPort-010-264-749 |
0.64 |
COC(=O)N1CCCN(CC1)C(=O)C(CC1=CNC2=CC=CC=C12)NC(C)=O
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|
| MolPort-004-088-937 |
0.64 |
CC(CCC1=CC=CC=C1)NC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)C1=CC=CC=C1Cl
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| MolPort-007-314-272 |
0.64 |
CN(CC(=O)NC1=CC=CC=C1Cl)C(=O)C(CC1=CNC2=CC=CC=C12)NC(C)=O
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|
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0.64 |
CC(C)C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)N1CC(C)OC(C)C1
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|
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0.64 |
NC(=O)[C@@H](CC1=CNC2=CC=CC=C12)NC(=O)C1=C[C@@H](NC(=O)NC2CCCCC2)[C@@H](O)[C@H](O)C1
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0.64 |
CC(C)(C)CC(=O)N1CC[C@H](NC(=O)NCC=C)[C@H]1C(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(N)=O
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| MolPort-006-450-140 |
0.64 |
CN1C=C(C(CC(=O)N2CCN(CC2)C(C2=CC=CC=C2)C2=CC=CC=C2)C2=CC(C)=CC=C2)C2=CC=CC=C12
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0.64 |
CN1C=C(C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]2CCCN3CCCC[C@H]23)C2=CC=CC=C12
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| MolPort-044-562-522 |
0.64 |
CN1C=C(C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]2CCCN3CCCC[C@@H]23)C2=CC=CC=C12
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| MolPort-023-296-857 |
0.64 |
CC(C)N1C=C(CCC(=O)N2CCN(CC2)C(C)=O)C2=CC=CC=C12
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COC1=C(C=CC=C1)C(=O)N1CCN2[C@H](C1)C(=O)N[C@@H](CC1=CNC3=CC=CC=C13)C2=O
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0.64 |
COCC(=O)N1CCN(C[C@@H]1C(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(N)=O)C(=O)C1CCNCC1
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0.64 |
CC(NC(=O)C(CC1=CNC2=CC=CC=C12)NC(N)=O)C1CC1
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| MolPort-019-934-889 |
0.64 |
CC(C)C[C@@H]1N[C@@H](CC2=CN(CC=C)C3=CC=CC1=C23)C(=O)NCCCN1CCCC1=O
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0.64 |
CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)NCC1=CC=C(C)C=C1
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0.64 |
COC(=O)CCNC(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)C1=CC=C(F)C=C1
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C[C@@H]1N(C)C(=O)[C@H](CC2=CNC3=CC=CC=C23)NC(=O)CN(CCNC(=O)[C@H](CC2=CC=CC=C2)NC1=O)C(=O)CCCN1C=NN=N1
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| MCULE-9028177234 |
0.64 |
NC([C@@H](CC1C2C=CC=CC=2NC=1)NC(=O)[C@@H]1N(C(=O)C2CCCCC2)CCN(C(=O)C2CCNCC2)C1)=O
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CC(NC(C(NCCCCCC(=O)O)=O)CC1C2C=CC(=CC=2NC=1)F)=O
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| MCULE-3737691673 |
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C(NC(=O)[C@@H]1CC2=CNC3C=CC=C([C@@H](N1)CC(C)C)C=32)CN(C)C
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| MCULE-2848158128 |
0.64 |
CC(CC(C(N(C)C)=O)NC(CCC1C2=C(C=CC=C2)NC=1)=O)C
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|
| MCULE-4903006407 |
0.64 |
N[C@H](C(N1CCN(CC(F)(F)F)CC1)=O)CC1C2C=CC=CC=2NC=1
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|
| MCULE-4539545457 |
0.64 |
CC(NC([C@H](CC1C2C=CC=CC=2NC=1)N)=O)CC=C
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| MCULE-2658056178 |
0.64 |
N[C@H](C(N1CCN(C2CCCC2)CC1)=O)CC1C2C=CC=CC=2NC=1
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| MCULE-2373362473 |
0.64 |
CC(NC(C(NCCC(C(=O)O)(C)C)=O)CC1C2C=CC(=CC=2NC=1)F)=O
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|
| MCULE-1515023495 |
0.64 |
CC(NC(C(NCCCC(=O)O)=O)CC1C2C=CC(=CC=2NC=1)F)=O
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| MCULE-2765518643 |
0.64 |
CC(C(=O)O)NC(C(NC(=O)C)CC1C2C=CC(=CC=2NC=1)F)=O
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|
| MCULE-3913418376 |
0.64 |
ClC1=C(C(NC(C(NCCC2CCCCC=2)=O)CC2C3=C(C=CC=C3)NC=2)=O)C=CC=C1
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|
| MCULE-8105962748 |
0.64 |
C1(CC(NC(=O)OC(C)(C)C)C(=O)NC2CCN(CC2)CC2C=CC=CC=2)C2C=CC=CC=2N(C)C=1
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|
| MCULE-1384336805 |
0.64 |
CC(NCCNC(CCC(NC(C(=O)O)CC1C2C=CC=CC=2NC=1)=O)=O)=O
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|
| MCULE-1493439563 |
0.64 |
O=C(N1CC(=O)NCC1)CCC1C2=C(C=CC=C2)NC=1
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|
| MCULE-6427306588 |
0.64 |
C1(C[C@H](NC(=O)OC(C)(C)C)C(=O)NC2CCN(CC2)CC2C=CC=CC=2)C2C=CC=CC=2N(C)C=1
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|
| MCULE-9249379504 |
0.64 |
COC(CCCNC(C(NC(C1=C(Cl)C=CC=C1)=O)CC1C2=C(C=CC=C2)NC=1)=O)=O
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|
| MCULE-6612555035 |
0.64 |
C12C(CC(NC(=O)C(NC(=O)OCC3C=CC=CC=3)([H])CC3C=CC=CC=3)([H])C(=O)N)=CNC=1C=CC=C2
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| MCULE-5741940716 |
0.64 |
C1(C(C2=CC=CC=C2)CC(=O)N2CCN(CC=CC3C=CC=CC=3)CC2)C2=CC=CC=C2N(CC2C=CC(F)=CC=2)C=1
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|
| MCULE-8049831583 |
0.64 |
N1(CCN(CC1)C(=O)CCC1C2=CC=CC=C2NC=1)C(=O)C=CC1=CC=CC=C1
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|
| MCULE-6485501746 |
0.64 |
C1(C[C@@H](C(=O)NCC2C=CC=CC=2)NC(C2C=CC=CC=2)=O)C2C=CC=CC=2NC=1
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| MCULE-6204442437 |
0.64 |
C1(CC(C(=O)NCC2C=CC=CC=2)NC(C2C=CC=CC=2)=O)C2=CC=CC=C2NC=1
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|
| MCULE-2957522560 |
0.64 |
CC1CN(C(C(NC(N)=O)CC2C3=C(C=CC=C3)NC=2)=O)CC(C)C1
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|
| MCULE-8520290067 |
0.64 |
CC1CN(C(C(NC(N)=O)CC2C3=C(C=CC=C3)NC=2)=O)CCC1
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|
| MCULE-4749466582 |
0.64 |
[C@H]1(C(=O)N2CC[C@@H]([C@H]2C(=O)N1)NC(=O)C1C=CC=CC=1)CC1=CNC2C=CC=CC1=2
|
|
| MCULE-6424785436 |
0.64 |
N12CCN(C[C@@H]1C(N[C@@H](CC1C3C=CC=CC=3NC=1)C2=O)=O)C(=O)C1C=CC(=CC=1)F
|
|
| MCULE-7799495280 |
0.64 |
N1(C)[C@@H](C)C(=O)N[C@@H](CC2C=CC=CC=2)C(=O)NCCN(C(=O)C2C=C(C)N=C(C)C=2)CC(=O)N[C@@H](CC2C3C=CC=CC=3NC=2)C1=O
|
|
| MCULE-3979377626 |
0.64 |
C1(C[C@@H](C(NCCC)=O)NC(=O)C2CCN(CC2)C(=O)CNC(=O)OC(C)(C)C)C2C=CC=CC=2NC=1
|
|
| MCULE-6845334024 |
0.64 |
N12CCN(C[C@@H]1C(N[C@@H](CC1C3C=CC=CC=3NC=1)C2=O)=O)CC1=CC=CC(=C1)SC
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|
| MCULE-6336777893 |
0.64 |
CC1=C2C(C(=CN2)CC(NC(C=CC(O)=O)(C)C)=O)=CC=C1
|
|
| MCULE-8395282503 |
0.64 |
CN(C(CCC1C2C=CC=CC=2NC=1)=O)CC(N1CCC(C(=O)O)CC1)=O
|
|
| MCULE-4799809522 |
0.64 |
COC(N1CCN(C(C(NC(C)=O)CC2C3=C(C=CC=C3)NC=2)=O)CCC1)=O
|
|
| MCULE-5554057795 |
0.64 |
CC(NC([C@@H](NC(C1=C(Cl)C=CC=C1)=O)CC1C2=C(C=CC=C2)NC=1)=O)CCC1=CC=CC=C1
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|
| MCULE-1352795166 |
0.64 |
CC(NC(C(N1CCC(C(=O)O)CC1)=O)CC1C2C=CC(=CC=2NC=1)F)=O
|
|
| MCULE-4014317865 |
0.64 |
CC(NC(C(NCCCCC(=O)O)=O)CC1C2C=CC(=CC=2NC=1)F)=O
|
|
| MCULE-1689954064 |
0.64 |
CN(C(C(NC(C)=O)CC1C2=C(C=CC=C2)NC=1)=O)CC(NC1=C(Cl)C=CC=C1)=O
|
|
| MCULE-9264915970 |
0.64 |
CCC(C(=O)O)(CNC(C(NC(=O)C)CC1C2C=CC(=CC=2NC=1)F)=O)CC
|
|
| MCULE-9159422685 |
0.64 |
CN1CC(CNC([C@H](CC2C3C=CC=CC=3NC=2)N)=O)N(C)CC1
|
|
| MCULE-4607279242 |
0.64 |
O=C(N1CCN(C(CC2C3=C(C=CC=C3)NC=2)=O)CC1)CCC1C2=C(C=CC=C2)NC=1
|
|
| MCULE-5875101275 |
0.64 |
N1(C(C)C)C2=CC=CC=C2C(CCC(=O)NCC2CCCN2CC)=C1
|
|
| MCULE-2281782733 |
0.64 |
CN1CCN(C([C@H](CC2C3C=CC=CC=3NC=2)N)=O)CCC1
|
|
| MCULE-8629641911 |
0.64 |
C12C=CC=CC=1NC=C2C[C@H](N)C(=O)NCC(=O)O
|
|
| MCULE-7945207715 |
0.64 |
C(C(O)=O)NC(C(CC1C2C=CC=CC=2NC=1)N)=O
|
|
| MCULE-9905945805 |
0.64 |
CC(N1CCN(C([C@H](CC2C3C=CC=CC=3NC=2)N)=O)CCC1)=O
|
|
| MCULE-2919394586 |
0.64 |
CN1C2C=CC=CC=2C(CCC(N(C2CC2)CC(=O)O)=O)=C1
|
|
| MCULE-6158457376 |
0.64 |
CC(C(NC(C(N1CC(C)OC(C)C1)=O)CC1C2=C(C=CC=C2)NC=1)=O)C
|
|
| MCULE-3293902730 |
0.64 |
CC1C=CC=C(CCNC([C@H](CC2C3C=CC=CC=3NC=2)N)=O)C=1
|
|
| MCULE-9271334085 |
0.64 |
N1(C(C)C)C2=CC=CC=C2C(CCC(=O)N2CCN(CC2)C(C)=O)=C1
|
|
| MCULE-2245048360 |
0.64 |
N1(CC)C2=CC=CC=C2C(CCC(NCCN2CCCC2)=O)=C1
|
|
| MCULE-6216260071 |
0.64 |
N12CCN(C[C@@H]1C(N[C@@H](CC1C3C=CC=CC=3NC=1)C2=O)=O)C(=O)C1=CC=CC=C1OC
|
|
| MCULE-6533003792 |
0.64 |
C1(CC(NC(=O)OC(C)(C)C)C(=O)NCC2CCCN3CCCCC32)C2C=CC=CC=2N(C)C=1
|
|
| MCULE-9780240219 |
0.64 |
C1(C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]2CCCN3CCCC[C@@]32[H])C2C=CC=CC=2N(C)C=1
|
|
| MCULE-1209210198 |
0.64 |
C1(C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]2CCCN3CCCC[C@H]32)C2C=CC=CC=2N(C)C=1
|
|
| MCULE-5017374859 |
0.64 |
N1([C@@H]([C@H](CC1)NC(NCC=C)=O)C(=O)N[C@@H](C(N)=O)CC1=CNC2=C1C=CC=C2)C(CC(C)(C)C)=O
|
|
| MCULE-4848384561 |
0.64 |
NC([C@H](NC(C1C[C@@H](O)[C@H](O)[C@H](NC(NC2CCCCC2)=O)C=1)=O)CC1C2C=CC=CC=2NC=1)=O
|
|
| MCULE-8630238055 |
0.64 |
N1(CCN(CC1)C(CC(C1C=CC=C(C)C=1)C1C2=CC=CC=C2N(C=1)C)=O)C(C1C=CC=CC=1)C1C=CC=CC=1
|
|
| MCULE-8469071744 |
0.64 |
COCC(N1[C@@H](C(N[C@@H](C(=O)N)CC2C3C=CC=CC=3NC=2)=O)CN(C(C2CCNCC2)=O)CC1)=O
|
|
| MCULE-9743645061 |
0.64 |
N1(C)[C@@H](C)C(=O)N[C@@H](CC2C=CC=CC=2)C(=O)NCCN(C(CCCN2C=NN=N2)=O)CC(=O)N[C@@H](CC2C3C=CC=CC=3NC=2)C1=O
|
|
| MCULE-1462452622 |
0.64 |
COC(CCNC(C(NC(C1=CC=C(F)C=C1)=O)CC1C2=C(C=CC=C2)NC=1)=O)=O
|
|
| MCULE-3439519013 |
0.64 |
CC(C1CC1)NC(C(NC(N)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-9337565399 |
0.64 |
O=C1N(CCCNC(=O)[C@@H]2CC3=CN(C4C=CC=C([C@@H](N2)CC(C)C)C3=4)CC=C)CCC1
|
|
| MCULE-1859649403 |
0.64 |
CC(NC(C(NCC1=CC=C(C)C=C1)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-1837646340 |
0.64 |
N1C2(CCOCC2)C(=O)N[C@H](CC2C3C=CC=CC=3NC=2)C1=O
|
|
| MCULE-1883655958 |
0.64 |
C1CN(C(=O)[C@@H]2CC3=CNC4C=CC=C([C@@H](N2)CC(C)C)C=43)CCN1C
|
|
| MCULE-9649057307 |
0.64 |
C1(C(N)=O)(CC1)C(=O)N1CC(=O)N[C@H](CC2C3C=CC=CC=3NC=2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CC=C(C=C2)OC)C(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C1
|
|
| MCULE-1286489844 |
0.64 |
C1(C[C@@]([H])(NC(=O)OC(C)(C)C)C(=O)N[C@]([H])(C)C(O)=O)C2C=CC=CC=2NC=1
|
|
| MCULE-4187268827 |
0.64 |
N1C2(CCOCC2)C(=O)N[C@@H](CC2C3C=CC=CC=3NC=2)C1=O
|
|
| MCULE-4024850690 |
0.64 |
CC(C(NC(C(NCCOCC(=O)O)=O)CC1C2C=CC=CC=2NC=1)=O)C
|
|
| MCULE-6459047504 |
0.64 |
N[C@H](C(NCC(C(F)(F)F)N1CCNCC1)=O)CC1C2C=CC=CC=2NC=1
|
|
| MCULE-1493127588 |
0.64 |
N12C[C@@H](C[C@H]1C(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)N(C)C
|
|
| MCULE-6935083363 |
0.64 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1C3C=CC=CC=3NC=1)C2=O)N(C)C
|
|
| MCULE-7091997047 |
0.64 |
CC1C(O)CCN(C(C(NC(C)=O)CC2C3=C(C=C(C=C3)F)NC=2)=O)C1
|
|
| MCULE-2961963948 |
0.64 |
C1CCC1NC(=O)[C@@H]1CC2=CN(C3C=CC=C([C@@H](N1)CC(C)C)C2=3)CC1=CC=NC=C1
|
|
| MCULE-9439465386 |
0.64 |
C(C1CC1)NC(=O)[C@@H]1CC2=CN(C3C=CC=C([C@@H](N1)CC(C)C)C2=3)CC1=CC=NC=C1
|
|
| MCULE-2949332483 |
0.64 |
C1(C[C@H](NC(=O)OC(C)(C)C)C(=O)N2CCC3(C(CCCC3)C2)O)C2C=CC=CC=2N(C)C=1
|
|
| MCULE-3549673546 |
0.64 |
C[C@H](C(=O)O)NC(CCC1C2C=CC=CC=2N(C)C=1)=O
|
|
| MCULE-5043867195 |
0.64 |
C[C@@H](C(=O)O)NC(CCC1C2C=CC=CC=2N(C)C=1)=O
|
|
| MCULE-3173332472 |
0.64 |
CN(C(C=C)=O)CC(N1CCC(C2C3=C(C=CC=C3)NC=2)CC1)=O
|
|
| MCULE-3838184090 |
0.64 |
CN1C2=C(C=CC=C2)C(CCC(NC(C(O)=O)(C)C)=O)=C1
|
|
| MCULE-7319896227 |
0.64 |
CC(C(=O)O)NC(CCC1C2C=CC=CC=2N(C)C=1)=O
|
|
| MCULE-9243644925 |
0.64 |
CC(C(=O)O)N(C(CCC1C2C=CC=CC=2N(C)C=1)=O)C
|
|
| MCULE-4924144548 |
0.64 |
C1(CC(C(NCC)=O)NC(=O)OC(C)(C)C)C2=CC=CC=C2NC=1
|
|
| MCULE-5132545467 |
0.64 |
OC(=O)C(F)(F)F.C([C@@]1([H])C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCC[C@]([H])(NC(=O)CCC2C=CC=CC=2)C(=O)N2CCC[C@@]2([H])C(=O)N[C@H](CC2CCCCC2)C(=O)N1)C1=CNC2=CC=CC=C12
|
|
| MCULE-1440688328 |
0.64 |
C1(CC(NC(C)=O)C(N)=O)C2C=CC=CC=2NC=1
|
|
| MCULE-1587449278 |
0.64 |
CCCCNC(CN1CCN(C(CCC2C3=C(C=CC=C3)NC=2)=O)CC1)=O
|
|
| MCULE-1151416151 |
0.64 |
C1(C[C@H](NC(C)=O)C(N)=O)C2C=CC=CC=2NC=1
|
|
| MCULE-4048124682 |
0.64 |
C12C=CC=CC=1NC=C2C[C@@H](C(=O)N)NC(=O)C
|
|
| MCULE-7692375086 |
0.64 |
C1(C2C=CC=CC=2NC=1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CC1)C(=O)N[C@@H](C)C(NCCC)=O
|
|
| MCULE-9687214446 |
0.64 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCN(C([C@@H](C)N)=O)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)O
|
|
| MCULE-4114180362 |
0.64 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCN(C(C(CC)CC)=O)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)O
|
|
| MCULE-1938294041 |
0.64 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCN(C(=O)CNC(C)=O)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)O
|
|
| MCULE-2923542839 |
0.64 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1C=CC=CC=1)C(=O)NCCN(C(=O)C(C)(C)C)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)O
|
|
| MCULE-3105526291 |
0.64 |
C1(C[C@H](NC(=O)C2CCN(CC2)C(=O)CNC(=O)OC(C)(C)C)C(=O)NC2CCCC2)C2C=CC=CC=2NC=1
|
|
| MCULE-6687638301 |
0.64 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCN(C([C@H](C)N)=O)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)O
|
|
| MCULE-3577400146 |
0.64 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCN(C(C)=O)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)O
|
|
| MCULE-4523802200 |
0.64 |
COCCC(C(OC)=O)NC(C(NC(C)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-7692989947 |
0.64 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1C=CC=CC=1)C(=O)NCCNCC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)O
|
|
| MCULE-2861362262 |
0.64 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1C=CC=CC=1)C(=O)NCCN(C(CN)=O)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)O
|
|
| MCULE-7219046586 |
0.64 |
CC(NC(C(NC(C(=O)O)COCC=C)=O)CC1C2C=CC=CC=2NC=1)=O
|
|
| MCULE-3569237212 |
0.64 |
O=C(N1CCN(CC=CC2=CC=CC=C2)CC1)CCC1C2=C(C=CC=C2)NC=1
|
|
| MCULE-9413065878 |
0.64 |
CC(C[C@@H](C(=O)O)NC(CNC(CCC1C2C=CC=CC=2NC=1)=O)=O)C
|
|
| MCULE-7150725606 |
0.64 |
N1(CCNC(C(O)=O)C1)C(=O)CCC1C2=CC=CC=C2NC=1
|
|
| MCULE-3659500549 |
0.64 |
N12C[C@@H](C[C@H]1C(=O)N[C@H](C(C)C)CC[C@@H](C)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)NC(CCCN(C)C)=O
|
|
| MCULE-6539011733 |
0.64 |
O=C(N1CCCCCC1)CN1C(=O)C(CC2C3=C(C=CC=C3)NC=2)NC1=O
|
|
| MCULE-7588410396 |
0.64 |
N12C[C@@H](C[C@H]1C(=O)N[C@H](C(C)C)CC[C@@H](C)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)NC(CCC(C)C)=O
|
|
| MCULE-3996533058 |
0.64 |
O=C(N(C1CCCCC1)C1CCCCC1)CN1C(=O)C(CC2C3=C(C=CC=C3)NC=2)NC1=O
|
|
| MCULE-2513782347 |
0.64 |
N1(CC(=O)N[C@H](CC2C3C=CC=CC=3NC=2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2C=CC(=CC=2)OC)C(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C1)C(CCCNC(C)=O)=O
|
|
| MCULE-8997079864 |
0.64 |
CC(C(NC1CCCCC1)=O)N1C(=O)C(CC2C3=C(C=CC=C3)NC=2)NC1=O
|
|
| MCULE-2887091905 |
0.64 |
N12C[C@@H](C[C@H]1C(=O)N[C@H](C(C)C)CC[C@@H](C)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)NC(=O)C(C)(C)C
|
|
| MCULE-5672606815 |
0.64 |
N12C[C@@H](C[C@H]1C(=O)N[C@H](C(C)C)CC[C@@H](C)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)NC(CC)=O
|
|
| MCULE-2743227185 |
0.64 |
N12CCN(C[C@@H]1C(N[C@@H](CC1C3C=CC=CC=3NC=1)C2=O)=O)CC1C=CC=CC=1F
|
|
| MCULE-9870321255 |
0.64 |
CC(NC(C(NC(C)=O)CC1C2=C(C=CC=C2)NC=1)=O)CCC1OCCC1
|
|
| MCULE-3063781293 |
0.64 |
N12CCN(C[C@@H]1C(N[C@@H](CC1C3C=CC=CC=3NC=1)C2=O)=O)CC1C=CC=C(F)C=1
|
|
| MCULE-8337439465 |
0.64 |
S(C)(=O)(=O)N1CCN(CC1)C(=O)[C@H](CC1C2C=CC=CC=2N(C)C=1)NC(=O)OC(C)(C)C
|
|
| MCULE-4353085073 |
0.64 |
S(C)(=O)(=O)N1CCN(CC1)C(=O)C(CC1C2C=CC=CC=2N(C)C=1)NC(=O)OC(C)(C)C
|
|
| MCULE-9139269402 |
0.64 |
CN(C1CN(C([C@H](CC2C3C=CC=CC=3NC=2)N)=O)CC1)C
|
|
| MCULE-9771933571 |
0.64 |
N[C@H](C(NC1CN(C2CC2)CC1)=O)CC1C2C=CC=CC=2NC=1
|
|
| MCULE-4280501425 |
0.64 |
CC(NC(C(NCC(=O)O)=O)CC1C2C=CC(=CC=2NC=1)F)=O
|
|
| MCULE-6543720535 |
0.64 |
CCC(N(C(CN1C(=O)C(CC2C3=C(C=CC=C3)NC=2)NC1=O)=O)C(CC)C)C
|
|
| MCULE-3740085911 |
0.64 |
CC(CCN(C(CN1C(=O)C(CC2C3=C(C=CC=C3)NC=2)NC1=O)=O)CCC(C)C)C
|
|
| MCULE-6861723237 |
0.64 |
C1(CC(C(NCC)=O)NC(OCC(C)C)=O)C2C=CC=CC=2NC=1
|
|
| MCULE-3519700320 |
0.64 |
CC(NC(C(NC1CCN(C(C2=CC=CC=C2)=O)CC1)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-2160878432 |
0.64 |
CC(NC(C(NCC1COCC1)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-2542807111 |
0.64 |
CC(CN(C(CN1C(=O)C(CC2C3=C(C=CC=C3)NC=2)NC1=O)=O)CC(C)C)C
|
|
| MCULE-9655737765 |
0.64 |
O=C(C1=C2C(C=CC=C2)=CC=C1)CN1C(=O)C(CC2C3=C(C=CC=C3)NC=2)NC1=O
|
|
| MCULE-1876915250 |
0.64 |
CN(C(C(NC(=O)C)CC1C2C=CC(=CC=2NC=1)F)=O)CC(=O)O
|
|
| MCULE-7318269774 |
0.64 |
C1N(CCNC(=O)[C@@H]2CC3=CN(C4C=CC=C([C@@H](N2)CC(C)C)C3=4)CC=C)CCOC1
|
|
| MCULE-7381629659 |
0.64 |
C1C=C2C(NC=C2CC2NC(=O)CNC(=O)C(NC(CNC(=O)C(C(C)C)NC(CNC(C3CCCN3C2=O)=O)=O)=O)C(C2C=CC(O)=CC=2)O)=CC=1
|
|
| MCULE-1312465451 |
0.64 |
NC(C1CC1)CNC([C@H](CC1C2C=CC=CC=2NC=1)N)=O
|
|
| MCULE-7805610249 |
0.64 |
N12C[C@@H](C[C@H]1C(=O)NCCCC[C@H](NC(CC(C)C)=O)C(N[C@H](C)C(=O)N[C@@H](CC1C3C=CC=CC=3NC=1)C(=O)N[C@H](CC(C)C)C2=O)=O)O
|
|
| MCULE-6730629580 |
0.64 |
N12C[C@@H](C[C@H]1C(=O)NCCCC[C@H](NC(C)=O)C(N[C@H](C)C(=O)N[C@@H](CC1C3C=CC=CC=3NC=1)C(=O)N[C@H](CC(C)C)C2=O)=O)O
|
|
| MCULE-5544777273 |
0.64 |
N12C[C@@H](C[C@H]1C(=O)NCCCC[C@H](N)C(N[C@H](C)C(=O)N[C@@H](CC1C3C=CC=CC=3NC=1)C(=O)N[C@H](CC(C)C)C2=O)=O)O
|
|
| MCULE-6379512140 |
0.64 |
N12C[C@@H](C[C@H]1C(=O)NCCCC[C@H](NC(CN(C)C)=O)C(N[C@H](C)C(=O)N[C@@H](CC1C3C=CC=CC=3NC=1)C(=O)N[C@H](CC(C)C)C2=O)=O)O
|
|
| MCULE-3546613073 |
0.64 |
N1(CC(=O)N[C@H](CC2C3C=CC=CC=3NC=2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CC=C(C=C2)OC)C(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C1)C(=O)[C@H]1CC[C@H](CC1)O
|
|
| MCULE-5997374343 |
0.64 |
CC(NC(C(N1C(C)(C)CCC1)=O)CC1C2=C(C=C(C=C2)F)NC=1)=O
|
|
| MCULE-2582137451 |
0.64 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1C=CC=CC=1)C(=O)NCCN(C(=O)CN1CCCCCC1)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)O
|
|
| MCULE-5332985510 |
0.64 |
N12C[C@@H](C[C@H]1C(=O)NCCCC[C@H](NC(CCC(C)C)=O)C(N[C@H](C)C(=O)N[C@@H](CC1C3C=CC=CC=3NC=1)C(=O)N[C@H](CC(C)C)C2=O)=O)O
|
|
| MCULE-2206691282 |
0.64 |
CC(C(N1CCOCC1)=O)NC([C@H](CC1C2C=CC=CC=2NC=1)N)=O
|
|
| MCULE-6594775242 |
0.64 |
C(=CC1C=CC=CC=1)(NC(C)=O)C(=O)NC(C=O)CC1C2C=CC=CC=2NC=1
|
|
| MCULE-1519358629 |
0.64 |
N1(CC(=O)N[C@H](CC2C3C=CC=CC=3NC=2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2C=CC(=CC=2)OC)C(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C1)C(=O)CCNC(C)=O
|
|
| MCULE-1050694954 |
0.64 |
N12CCN(C[C@@H]1C(N[C@@H](CC1C3C=CC=CC=3NC=1)C2=O)=O)CC1=CC=C(C=C1)OC
|
|
| MCULE-9629373351 |
0.64 |
C(=O)(N[C@@H](CC1C2C=CC=CC=2NC=1)C(=O)NC1CC1)C1C=CC=CC=1OC
|
|
| MCULE-8240148338 |
0.64 |
N12CCN(C[C@@H]1C(N[C@@H](CC1C3C=CC=CC=3NC=1)C2=O)=O)CC1C=CC(=C(F)C=1)F
|
|
| MCULE-8747342643 |
0.64 |
CCCC(C(=O)O)NC(C(NC(=O)C)CC1C2C=CC(=CC=2NC=1)F)=O
|
|
| MCULE-9648981265 |
0.64 |
CC(NC(C(NCC1(C(=O)O)CCOCC1)=O)CC1C2C=CC=CC=2NC=1)=O
|
|
| MCULE-5655765827 |
0.64 |
C1(CC(NC(OCC(C)C)=O)C(=O)NC2CCCCC2)C2C=CC=CC=2NC=1
|
|
| MCULE-1167395111 |
0.64 |
N12CCN(C[C@@H]1C(N[C@@H](CC1C3C=CC=CC=3NC=1)C2=O)=O)C(=O)C1C=CC(=CC=1)C(F)(F)F
|
|
| MCULE-5671741029 |
0.64 |
CC(C[C@H](C(=O)O)NC(C(NC(=O)C)CC1C2C=CC(=CC=2NC=1)F)=O)C
|
|
| MCULE-9135581860 |
0.64 |
CC(CC(C(=O)O)CNC(C(NC(=O)C)CC1C2C=CC(=CC=2NC=1)F)=O)C
|
|
| MCULE-8236117525 |
0.64 |
C1(CC(NC(C)=O)C(=O)NCC2C=CC(=CC=2)C(C)(C)C)C2C=CC=CC=2NC=1
|
|
| MCULE-5511779936 |
0.64 |
CC(NC(CN1CCN(C(CCC2C3=C(C=CC=C3)NC=2)=O)CC1)=O)(C)C
|
|
| MCULE-9989210537 |
0.64 |
C1(C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC2C=CC=NC=2)C2C=CC=CC=2N(C)C=1
|
|
| MCULE-2185110713 |
0.64 |
FC1C=CC(=CC=1)CNC(=O)[C@@H]1CC2=CN(C)C3C=CC=C([C@@H](N1)CC(C)C)C2=3
|
|
| MCULE-1139109248 |
0.64 |
C1(CC(NC(=O)OC(C)(C)C)C(=O)NCC2C=CC=NC=2)C2C=CC=CC=2N(C)C=1
|
|
| MCULE-7065909904 |
0.64 |
O=C1N(CCCNC(=O)[C@@H]2CC3=CN(C)C4C=CC=C([C@@H](N2)CC(C)C)C3=4)CCC1
|
|
| MCULE-9517734084 |
0.64 |
C1(C[C@@H](C(NCCC)=O)NC(=O)[C@@H]2CC3=CC=CC=C3CN2)C2C=CC=CC=2NC=1
|
|
| MCULE-3230515860 |
0.64 |
O=C([C@H](CC1C2C(=CC=CC=2)NC=1)NC(=O)[C@H](CC(C)C)CC(=O)NO)NC
|
|
| MCULE-2370884822 |
0.64 |
C1(CC(C(NCCC)=O)NC(=O)C2CC3=CC=CC=C3CN2)C2C=CC=CC=2NC=1
|
|
| MCULE-8369934760 |
0.64 |
CC1CN(C(CN2C(=O)C(CC3C4=C(C=CC=C4)NC=3)NC2=O)=O)CCC1
|
|
| MCULE-2629994503 |
0.64 |
CC(C(NC1CCCC1)=O)N1C(=O)C(CC2C3=C(C=CC=C3)NC=2)NC1=O
|
|
| MCULE-7751674338 |
0.64 |
C([C@H](CC(=O)NO)CC(C)C)(=O)N[C@@H](C(=O)NC)CC1=CNC2C=CC=CC1=2
|
|
| MCULE-5691168575 |
0.64 |
CCCCCNC([C@@H](NC(C1=CC=C(F)C=C1)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-3031931979 |
0.64 |
N1[C@H](CC2C3C=CC=CC=3NC=2)C(=O)NCCCN(CCCC(=O)N[C@@H](C)C1=O)CC1=CC=NC=C1
|
|
| MCULE-7915031626 |
0.64 |
C1(C[C@@H](C(NC)=O)NC(=O)[C@H](CC(C)C)CC(NO)=O)C2C=CC=CC=2NC=1
|
|
| MCULE-4799062349 |
0.64 |
CC1CN(C(CN2C(=O)C(CC3C4=C(C=CC=C4)NC=3)NC2=O)=O)CC(C)C1
|
|
| MCULE-7425449800 |
0.64 |
CN1C(=O)CC(NC([C@H](CC2C3C=CC=CC=3NC=2)N)=O)C1
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|
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N1(CC2=CC=CC=C2C)C2=CC=CC=C2C(CCC(NCCN(CCC)CCC)=O)=C1
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CCNC(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)OCC(C)C
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CCC(C)N(C(C)CC)C(=O)CN1C(=O)NC(CC2=CNC3=CC=CC=C23)C1=O
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CC(=O)NC(CC1=CNC2=CC(F)=CC=C12)C(=O)NCC(O)=O
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CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)NCC1CCOC1
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| MolPort-046-581-082 |
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CC(C)C[C@H]1NC(=O)[C@H](CC2=CNC3=CC=CC=C23)NC(=O)[C@@H](C)NC(=O)[C@H](CCCCNC(=O)[C@@H]2C[C@@H](O)CN2C1=O)NC(C)=O
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| MolPort-029-924-049 |
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CC(=O)NC(CC1=CNC2=CC(F)=CC=C12)C(=O)N1CCCC1(C)C
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| MolPort-046-580-363 |
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CC(C)CCC(=O)N[C@H]1CCCCNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC2=CNC3=CC=CC=C23)NC(=O)[C@@H](C)NC1=O
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| MolPort-046-570-110 |
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COC1=CC=C(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC3=CNC4=CC=CC=C34)NC(=O)CN(C[C@@H](NC(=O)[C@@H](C)NC2=O)C(C)C)C(=O)[C@@H]2CC[C@H](O)CC2)C=C1
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CC(=O)N\C(=C\C1=CC=CC=C1)C(=O)NC(CC1=CNC2=CC=CC=C12)C=O
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CC(C)C1NC(=O)CNC(=O)C2CCCN2C(=O)C(CC2=CNC3=CC=CC=C23)NC(=O)CNC(=O)C(NC(=O)CNC1=O)C(O)C1=CC=C(O)C=C1
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| MolPort-001-843-666 |
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CC(C)COC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)NC1CCCCC1
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| MolPort-020-193-700 |
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FC(F)(F)C1=CC=C(C=C1)C(=O)N1CCN2[C@H](C1)C(=O)N[C@@H](CC1=CNC3=CC=CC=C13)C2=O
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| MolPort-046-570-512 |
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COC1=CC=C(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC3=CNC4=CC=CC=C34)NC(=O)CN(C[C@@H](NC(=O)[C@@H](C)NC2=O)C(C)C)C(=O)CCNC(C)=O)C=C1
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CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)NCC1=CC=C(C=C1)C(C)(C)C
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COC1=CC=C(CN2CCN3[C@H](C2)C(=O)N[C@@H](CC2=CNC4=CC=CC=C24)C3=O)C=C1
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CC(C)(C)NC(=O)CN1CCN(CC1)C(=O)CCC1=CNC2=CC=CC=C12
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FC1=CC=C(CN2CCN3[C@H](C2)C(=O)N[C@@H](CC2=CNC4=CC=CC=C24)C3=O)C=C1F
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| MolPort-045-919-239 |
0.63 |
O[C@@H]1C[C@@H]2N(C1)C(=O)[C@@H](CC1=CNC3=CC=CC=C13)NC(=O)CN(CCNC(=O)[C@H](CC1=CC=CC=C1)NC2=O)C(=O)CCC1=CC=NC=C1
|
|
| MolPort-046-533-235 |
0.63 |
CC(=O)NC(CC1=CNC2=CC=C(Br)C=C12)C(=O)NC(CO)CO
|
|
| MolPort-009-130-079 |
0.63 |
CC(C)N(C)C(=O)CN1C(=O)NC(CC2=CNC3=CC=CC=C23)C1=O
|
|
| MCULE-9760006661 |
0.63 |
C(C1C2C=CC=CC=2NC=1)[C@H](N)C(N[C@@H](CCCNC(N)=N)C(N[C@H](C(N[C@@H](C(N[C@H](C(N[C@@H](C(N)=O)CC1C2C=CC=CC=2NC=1)=O)CC1C2C=CC=CC=2NC=1)=O)CC1C2C=CC=CC=2NC=1)=O)CC1C2C=CC=CC=2NC=1)=O)=O
|
|
| MCULE-9262816726 |
0.63 |
C(CCNC(N)=N)[C@@H](C(N[C@@H](CCCNC(N)=N)C(N[C@H](CCCNC(N)=N)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](C(N[C@@H](C(N)=O)CC1C2C=CC=CC=2NC=1)=O)CC1C2C=CC=CC=2NC=1)=O)=O)=O)=O)N
|
|
| MCULE-6429355185 |
0.63 |
COC(C1=CC=C(CNC(C(NC(C)=O)CC2C3=C(C=CC=C3)NC=2)=O)C=C1)=O
|
|
| MCULE-5516079212 |
0.63 |
CC1N(C(CN2C(=O)C(CC3C4=C(C=CC=C4)NC=3)NC2=O)=O)CCCC1
|
|
| MCULE-5020383578 |
0.63 |
O=C(NC1CCCCC1)CN1C(=O)C(CC2C3=C(C=CC=C3)NC=2)NC1=O
|
|
| MCULE-7157029804 |
0.63 |
O=C(NC1CCCCCCC1)CN1C(=O)C(CC2C3=C(C=CC=C3)NC=2)NC1=O
|
|
| MCULE-7887207357 |
0.63 |
Cl.C1(CC(C(NCCC)=O)NC(=O)C2CC3=CC=CC=C3CN2)C2C=CC=CC=2NC=1
|
|
| MCULE-4221115078 |
0.63 |
FC1=CC=C(C(NC(C(NC2CCCC2)=O)CC2C3=C(C=CC=C3)NC=2)=O)C=C1
|
|
| MCULE-7862426941 |
0.63 |
CCCCCC(NC(CN1C(=O)C(CC2C3=C(C=CC=C3)NC=2)NC1=O)=O)C
|
|
| MCULE-7214809880 |
0.63 |
CC(N(C(CN1C(=O)C(CC2C3=C(C=CC=C3)NC=2)NC1=O)=O)C1CCCCC1)C
|
|
| MCULE-6209076665 |
0.63 |
Cl.C1(C[C@@H](C(NCCC)=O)NC(=O)[C@@H]2CC3=CC=CC=C3CN2)C2C=CC=CC=2NC=1
|
|
| MCULE-1464691403 |
0.63 |
CCCCCCC(NC(CN1C(=O)C(CC2C3=C(C=CC=C3)NC=2)NC1=O)=O)C
|
|
| MCULE-3334591778 |
0.63 |
CC(C1C=CC=CC=1)(CNC([C@H](CC1C2C=CC=CC=2NC=1)N)=O)C
|
|
| MCULE-6158736464 |
0.63 |
CC(NC(C=C)=O)CC1C2=C(C=CC=C2)N(C)C=1
|
|
| MCULE-4272903105 |
0.63 |
C1(C[C@H](N)C(NCCC2=CC=CC=C2)=O)C2C=CC=CC=2NC=1
|
|
| MCULE-2900804898 |
0.63 |
CN(C([C@H](CC1C2C=CC=CC=2NC=1)N)=O)CCC1C=CC=CC=1
|
|
| MCULE-1237347290 |
0.63 |
C1(C[C@H](N)C(NCCC2=CC=CC=C2)=O)C2C=CC=CC=2NC=1
|
|
| MCULE-3294592652 |
0.63 |
N1C2C=CC=CC=2C(CCNC(=O)C=C(C)C(O)=O)=C1
|
|
| MCULE-1337116623 |
0.63 |
CC(C1C=CC=CC=1)CNC([C@H](CC1C2C=CC=CC=2NC=1)N)=O
|
|
| MCULE-9954773131 |
0.63 |
CCN(C([C@H](CC1C2C=CC=CC=2NC=1)N)=O)CCC1C=CC=CC=1
|
|
| MCULE-1041875295 |
0.63 |
N(C(C(C)C)C(OC)=O)C(=O)C(CC1C2=CC=CC=C2NC=1)NC(=O)C(CC1=CC=CC=C1)NC(=O)OC(C)(C)C
|
|
| MCULE-4050945688 |
0.63 |
CC(C[C@H](C(=O)O)NC(CCC1C2C=CC=CC=2N(C)C=1)=O)C
|
|
| MCULE-5862951570 |
0.63 |
CC[C@@H]([C@@H](C(=O)O)NC(CCC1C2C=CC=CC=2N(C)C=1)=O)C
|
|
| MCULE-6530063580 |
0.63 |
CCCC(C(=O)O)NC(CCC1C2C=CC=CC=2N(C)C=1)=O
|
|
| MCULE-4666260296 |
0.63 |
CCCC(C(=O)O)(NC(CCC1C2C=CC=CC=2N(C)C=1)=O)C
|
|
| MCULE-4131751193 |
0.63 |
N1(CC2C=CC(=CC=2)C)C2=CC=CC=C2C(CCC(NCCN2CCCCCC2)=O)=C1
|
|
| MCULE-9330826026 |
0.63 |
CN1C(=O)CCC(NC([C@H](CC2C3C=CC=CC=3NC=2)N)=O)C1
|
|
| MCULE-2542385498 |
0.63 |
O=C(C(NC(C1=CC=CC=C1)=O)CC1=CC=CC=C1)NCCC1C2=C(C=CC=C2)NC=1
|
|
| MCULE-6311312077 |
0.63 |
C1(CC(NC(CCC2C3C=CC=CC=3NC=2)=O)C(O)=O)C2C=CC=CC=2NC=1
|
|
| MCULE-3641347377 |
0.63 |
COCC(N1CCN(C([C@H](CC2C3C=CC=CC=3NC=2)N)=O)CC1)=O
|
|
| MCULE-9581544821 |
0.63 |
CC(C(=O)O)N(C(CCC1C2C=CC=C(C)C=2NC=1)=O)CCNC(=O)C
|
|
| MCULE-5837868164 |
0.63 |
N1(CC2=CC=CC=C2C)C2=CC=CC=C2C(CCC(NCCN2CCN(CC2)C)=O)=C1
|
|
| MCULE-8104849946 |
0.63 |
CC(C[C@@H](C(=O)O)NC(CCC1C2C=CC=CC=2N(C)C=1)=O)C
|
|
| MCULE-6126895260 |
0.63 |
N1(CC2=CC=CC=C2C)C2=CC=CC=C2C(CCC(NCCN2CCN(CC2)CC)=O)=C1
|
|
| MCULE-8771412649 |
0.63 |
N[C@H](C(N1CC(N2CCCCC2)CC1)=O)CC1C2C=CC=CC=2NC=1
|
|
| MCULE-9000900527 |
0.63 |
O=C(C1=CC=CC=C1)NC(C(N1CC=C(C2C3=C(C=CC=C3)NC=2)CC1)=O)CC1=CC=CC=C1
|
|
| MCULE-3117034804 |
0.63 |
CNC(CN1C(=O)C(CC2C3=C(C=CC=C3)NC=2)NC1=O)=O
|
|
| MCULE-7748612124 |
0.63 |
CC(CNC(CN1C(=O)C(CC2C3=C(C=CC=C3)NC=2)NC1=O)=O)C
|
|
| MCULE-4236854687 |
0.63 |
CC(CCNC(CN1C(=O)C(CC2C3=C(C=CC=C3)NC=2)NC1=O)=O)C
|
|
| MCULE-3460275967 |
0.63 |
CC(NC(CN1C(=O)C(CC2C3=C(C=CC=C3)NC=2)NC1=O)=O)(C)C
|
|
| MCULE-3017899943 |
0.63 |
CCNC(CN1C(=O)C(CC2C3=C(C=CC=C3)NC=2)NC1=O)=O
|
|
| MCULE-9288317904 |
0.63 |
CC(N(C(CN1C(=O)C(CC2C3=C(C=CC=C3)NC=2)NC1=O)=O)C(C)C)C
|
|
| MCULE-5608644955 |
0.63 |
CC(N(C(CN1C(=O)C(CC2C3=C(C=CC=C3)NC=2)NC1=O)=O)C)C
|
|
| MCULE-5156203752 |
0.63 |
CC1C(C)CC(NC(C(NC(C)=O)CC2C3=C(C=C(C=C3)F)NC=2)=O)CC1
|
|
| MCULE-9544660292 |
0.63 |
CCCC(NC(CN1C(=O)C(CC2C3=C(C=CC=C3)NC=2)NC1=O)=O)C
|
|
| MCULE-8915374816 |
0.63 |
C1(CCCCC(=O)N1)(CC1=CC=CN=C1)C(NCCC1C2C=CC=CC=2NC=1)=O
|
|
| MCULE-5182388171 |
0.63 |
CCN(C(CN1C(=O)C(CC2C3=C(C=CC=C3)NC=2)NC1=O)=O)CC
|
|
| MCULE-5034585653 |
0.63 |
CCCNC(CN1C(=O)C(CC2C3=C(C=CC=C3)NC=2)NC1=O)=O
|
|
| MCULE-7617814932 |
0.63 |
CC(NC(C(NC(CO)CO)=O)CC1C2=C(C=CC(=C2)Br)NC=1)=O
|
|
| MCULE-7223249945 |
0.63 |
CCC(NC(CN1C(=O)C(CC2C3=C(C=CC=C3)NC=2)NC1=O)=O)CC
|
|
| MCULE-6560518641 |
0.63 |
CC(C(NC(CN1C(=O)C(CC2C3=C(C=CC=C3)NC=2)NC1=O)=O)C)C
|
|
| MCULE-8245192442 |
0.63 |
CN(C(CN1C(=O)C(CC2C3=C(C=CC=C3)NC=2)NC1=O)=O)C
|
|
| MCULE-5950963937 |
0.63 |
CCC(NC(CN1C(=O)C(CC2C3=C(C=CC=C3)NC=2)NC1=O)=O)C
|
|
| MCULE-2501226673 |
0.63 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1C=CC=CC=1)C(=O)NCCN(C(=O)[C@@H]1CCC(=O)N1)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)O
|
|
| MCULE-2805050283 |
0.63 |
N12CCN(C[C@@H]1C(N[C@@H](CC1C3C=CC=CC=3NC=1)C2=O)=O)C(=O)C1=CC(Cl)=CC(Cl)=C1
|
|
| MCULE-5139750205 |
0.63 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1C=CC=CC=1)C(=O)NCCN(C(CCC1=CC=NC=C1)=O)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)O
|
|
| MCULE-5877506816 |
0.63 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCN(C(=O)CN1CCCC1=O)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)O
|
|
| MCULE-8525672462 |
0.63 |
C(N1CCC[C@H]1C(N[C@@H](CC1C2C(=CC=CC=2)NC=1)C(N[C@@H](CC1=CC=CC=C1)C(N)=O)=O)=O)([C@H](CC1C=CC(OC(=O)C)=CC=1)N)=O
|
|
| MCULE-8339375036 |
0.63 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1C=CC=CC=1)C(=O)NCCN(C(=O)[C@H]1CCC(=O)N1)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)O
|
|
| MCULE-5590244246 |
0.63 |
C1(C2C=CC=CC=2NC=1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CC1)C(=O)N[C@@H](C)C(=O)NC1CCCCC1
|
|
| MCULE-2216094091 |
0.63 |
CC(C1CCN(C([C@H](CC2C3C=CC=CC=3NC=2)N)=O)CC1)O
|
|
| MCULE-4273079630 |
0.63 |
CCN(C(C1N(C(CCC2C3=C(C=CC=C3)NC=2)=O)CCC1)=O)CC
|
|
| MCULE-6564227955 |
0.63 |
NC(NC(C(N1CCC(CC#N)CC1)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-9931960675 |
0.63 |
CN(C(C(NC(C)=O)CC1C2=C(C=CC=C2)NC=1)=O)CC1=CC=C(Cl)C=C1
|
|
| MCULE-3058257269 |
0.63 |
CC(N[C@H](C(N1CCN(C2=CC(C)=CC=C2)CC1)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-9434082167 |
0.63 |
[Cl-].C1(C[C@H]([NH3+])C(=O)N2CCC(CC2)C(=O)N[C@@H](C(C)C)C(O)=O)C2C=CC=CC=2NC=1
|
|
| MCULE-9934386741 |
0.63 |
C1(C(C2=CC=CC(=C2)C(F)(F)F)CC(=O)N2CCN(CC2)CC)C2=CC=CC=C2N(C)C=1
|
|
| MCULE-1314830290 |
0.63 |
CC(NC(C(N1CC(C(=O)O)CC1)=O)CC1C2C=CC(=CC=2NC=1)F)=O
|
|
| MCULE-2918756420 |
0.63 |
CC(NC(C(N1CC(C(=O)O)(C)CC1)=O)CC1C2C=CC(=CC=2NC=1)F)=O
|
|
| MCULE-9810599057 |
0.63 |
C12C=CC=CC=1NC=C2CC(C(=O)N)NC(=O)C(CCC)NC(=O)OCC1C=CC=CC=1
|
|
| MCULE-7104277648 |
0.63 |
CC(C(C(N1CC=C(C2C3=C(C=CC=C3)NC=2)CC1)=O)NC(CC1=CC=CC=C1)=O)C
|
|
| MCULE-2357550819 |
0.63 |
C#CCNC(=O)[C@@H]1CC2=CN(C)C3C=CC=C([C@@H](N1)CC(C)C)C2=3
|
|
| MCULE-8035988213 |
0.63 |
CC(N1CCOCC1)(CNC([C@H](CC1C2C=CC=CC=2NC=1)N)=O)C
|
|
| MCULE-6505444921 |
0.63 |
N1(CCC2C3C=CC=CC=3NC=2)C(=O)CC(C1=O)C1C2C=CC=CC=2N(C)C=1
|
|
| MCULE-4323487534 |
0.63 |
N[C@H](C(NC1C2N(CCCC2)CC1)=O)CC1C2C=CC=CC=2NC=1
|
|
| MCULE-8661896429 |
0.63 |
N1(CCN(CC1C)C(=O)C(CC1C2C=CC=CC=2NC=1)NC(=O)C1C=CC(=CC=1)N(=O)=O)C(=O)C1CC1
|
|
| MCULE-6771347091 |
0.63 |
CC(NC(C(N1C[C@@H]2[C@@H](COC2)C1)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-1516964013 |
0.63 |
CC(CCC(NC(CN1C(=O)C(CC2C3=C(C=CC=C3)NC=2)NC1=O)=O)C)C
|
|
| MCULE-7864233194 |
0.63 |
CC1CCN(C(CN2C(=O)C(CC3C4=C(C=CC=C4)NC=3)NC2=O)=O)CC1
|
|
| MCULE-2847220460 |
0.63 |
O=C(N1CCCCC1)CN1C(=O)C(CC2C3=C(C=CC=C3)NC=2)NC1=O
|
|
| MCULE-9603252843 |
0.63 |
O=C(NC1CCCC1)CN1C(=O)C(CC2C3=C(C=CC=C3)NC=2)NC1=O
|
|
| MCULE-4061854376 |
0.63 |
COC(CNC(C(NC(N)=O)CC1C2=C(C=CC=C2)NC=1)=O)=O
|
|
| MCULE-6814695901 |
0.63 |
C1(CC(NC(=O)OC(C)(C)C)C(=O)NC(C(C)C)C(OC)=O)C2=CC=CC=C2NC=1
|
|
| MCULE-7181160112 |
0.63 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1C=CC=CC=1)C(=O)NCCN(C(CCC1CCC1)=O)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)O
|
|
| MCULE-8326678742 |
0.63 |
O=C(C1C2=C(C=CC=C2)N(CCC#N)C=1)CN1C(=O)C(CC2C3=C(C=CC=C3)NC=2)NC1=O
|
|
| MCULE-8098632400 |
0.63 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1C=CC=CC=1)C(=O)NCCN(C(=O)CC1CCCCC1)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)O
|
|
| MCULE-8050176579 |
0.63 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCN(C(C1CCCCC1)=O)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)O
|
|
| MCULE-8485452386 |
0.63 |
N12C[C@@H](C[C@H]1C(=O)NCCCC[C@H](NC(=O)[C@H]1CCC(=O)N1)C(N[C@H](C)C(=O)N[C@@H](CC1C3C=CC=CC=3NC=1)C(=O)N[C@H](CC(C)C)C2=O)=O)O
|
|
| MCULE-4556778216 |
0.63 |
N12C[C@@H](C[C@H]1C(=O)NCCCC[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(N[C@H](C)C(=O)N[C@@H](CC1C3C=CC=CC=3NC=1)C(=O)N[C@H](CC(C)C)C2=O)=O)O
|
|
| MCULE-5923658271 |
0.63 |
N12C[C@@H](C[C@H]1C(=O)NCCCC[C@H](NC(=O)CN1CCCC1=O)C(N[C@H](C)C(=O)N[C@@H](CC1C3C=CC=CC=3NC=1)C(=O)N[C@H](CC(C)C)C2=O)=O)O
|
|
| MCULE-3900079493 |
0.63 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1C=CC=CC=1)C(=O)NCCN(C(=O)CC1CCCC1)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)O
|
|
| MCULE-4890990173 |
0.63 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1C=CC=CC=1)C(=O)NCCN(C(=O)[C@@H]1CC[C@H](CC1)CC)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)O
|
|
| MCULE-7652915802 |
0.63 |
C(C)(C)[C@@H](C(N[C@H](CO)C(N[C@H](CC(=O)N)C(N[C@H](CO)C(N[C@H](CC(=O)N)C(N[C@H](C(N1[C@@H](CCC1)C(N[C@H](CO)C(N[C@@H](C(N1[C@@H](CCC1)C(N[C@H](CO)C(N[C@H](CO)C(NCC(NCC(NCC(N)=O)=O)=O)=O)=O)=O)=O)CC1C=CC=CC=1)=O)=O)=O)CC1C2C=CC=CC=2NC=1)=O)=O)=O)=O)=O)N
|
|
| MCULE-5246273684 |
0.63 |
N1(CC(=O)N[C@H](CC2C3C=CC=CC=3NC=2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CC=C(C=C2)OC)C(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C1)C(C1CCOCC1)=O
|
|
| MCULE-7920326859 |
0.63 |
CC(C(NC(C(N1CC(C(=O)O)OCC1)=O)CC1C2C=CC=CC=2NC=1)=O)C
|
|
| MCULE-4590922848 |
0.63 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCN(C(C1CCCCCC1)=O)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)O
|
|
| MCULE-8911858314 |
0.63 |
N[C@H](C(NC1CC1)=O)CC1C2C=CC=CC=2NC=1
|
|
| MCULE-5436729445 |
0.63 |
CC(N1CCN(C(=O)[C@@H]2CC3=CN(C4C=CC=C([C@@H](N2)CC(C)C)C3=4)CC#CC)CC1)=O
|
|
| MCULE-5034355279 |
0.63 |
C1CN(C(=O)[C@@H]2CC3=CN(C4C=CC=C([C@@H](N2)CC(C)C)C3=4)CC#CC)CCN1C
|
|
| MCULE-6372444729 |
0.63 |
C1(C[C@H](N)C(=O)NC2CC2)C2C=CC=CC=2NC=1
|
|
| MCULE-5382337998 |
0.63 |
CN(C([C@H](CC1C2C=CC=CC=2NC=1)N)=O)C1CC1
|
|
| MCULE-5930015945 |
0.63 |
C1(C[C@H](N)C(NCCCC)=O)C2C=CC=CC=2NC=1
|
|
| MCULE-1759959986 |
0.63 |
C1(C[C@H](N)C(NCCCC)=O)C2C=CC=CC=2NC=1
|
|
| MCULE-6097701867 |
0.63 |
CC(CCNC([C@H](CC1C2C=CC=CC=2NC=1)N)=O)(C)C
|
|
| MCULE-8051625546 |
0.63 |
N1(CC2=CC=CC=C2C)C2=CC=CC=C2C(CCC(NCCN(C)C)=O)=C1
|
|
| MCULE-8465675682 |
0.63 |
C(CC(C1=CC=C(C=C1)C(C)(C)C)C1C2C(=CC=CC=2)N(C)C=1)(NCCN1CCCC1)=O
|
|
| MCULE-9621414524 |
0.63 |
C1(C[C@H](N)C(=O)N2CCC(CC2)C(=O)N[C@@H](CC2=CC=CC=C2)C(O)=O)C2C=CC=CC=2NC=1
|
|
| MCULE-3116169258 |
0.63 |
N(C)(C)CCN(CC1C=CC=CC=1)C(CC(C1C=CC=C(C)C=1)C1C2C=CC=CC=2N(C=1)CC)=O
|
|
| MCULE-1500421468 |
0.63 |
CC(NC(C(NC1CCC(C(=O)O)CC1)=O)CC1C2C=CC(=CC=2NC=1)F)=O
|
|
| MCULE-9121262076 |
0.63 |
N12C[C@@H](C[C@@H]1C(=O)N[C@@H](CC1C3C=CC=CC=3NC=1)C2=O)O
|
|
| MCULE-5377068564 |
0.63 |
N12CCN(C[C@@H]1C(N[C@@H](CC1C3C=CC=CC=3NC=1)C2=O)=O)C(=O)C1C=CC(=CC=1)C1C=CC=CC=1
|
|
| MCULE-7719054791 |
0.63 |
C1(C2C=CC=CC=2NC=1)CC(NC(=O)OC(C)(C)C)C(=O)N1CCC(CC1)C(O)=O
|
|
| MCULE-4933368435 |
0.63 |
N12CCN(C[C@@H]1C(N[C@@H](CC1C3C=CC=CC=3NC=1)C2=O)=O)CC1C=CC=C(OC)C=1
|
|
| MCULE-2273629312 |
0.63 |
C1(CC(NC(=O)C2CC3=CC=CC=C3CN2)C(=O)NC2CCCCC2)C2C=CC=CC=2NC=1
|
|
| MCULE-7702418768 |
0.63 |
N12C[C@@H](C[C@H]1C(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)O
|
|
| MCULE-7642558632 |
0.63 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1C3C=CC=CC=3NC=1)C2=O)O
|
|
| MCULE-8399881177 |
0.63 |
C1(C[C@H](NC(=O)[C@@H]2CC3=CC=CC=C3CN2)C(=O)NC2CCCCC2)C2C=CC=CC=2NC=1
|
|
| MCULE-6697078402 |
0.63 |
CC1CN(C(C(NC(=O)C)CC2C3C=CC(=CC=3NC=2)F)=O)CC(C(=O)O)C1
|
|
| MCULE-3378395800 |
0.63 |
C1(C2C=CC=CC=2NC=1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CC1)C(O)=O
|
|
| MCULE-2478063875 |
0.63 |
CC(NC(C(N1CC(C(O)=O)CCC1)=O)CC1C2=C(C=C(C=C2)F)NC=1)=O
|
|
| MCULE-8776691713 |
0.63 |
O=C(NCCC1CCCCC=1)CN1C(=O)C(CC2C3=C(C=CC=C3)NC=2)NC1=O
|
|
| MCULE-2765432751 |
0.63 |
CCCN1C(=O)CN(C(CCC2C3=C(C=CC=C3)NC=2)=O)CCC1
|
|
| MCULE-4075566043 |
0.63 |
CCN1C(=O)CN(C(CCC2C3=C(C=CC=C3)NC=2)=O)CCC1
|
|
| MCULE-3491833996 |
0.63 |
CN1C(=O)CN(C(CCC2C3=C(C=CC=C3)NC=2)=O)CCC1
|
|
| MCULE-9512823250 |
0.63 |
N1(CCN([C@@H](C1)C(=O)N[C@H](CC1C2C=CC=CC=2NC=1)C(N)=O)C(C)=O)C(C1=CC=C(C=C1)N(C)C)=O
|
|
| MCULE-7991808837 |
0.63 |
CC1N(C(CN2C(=O)C(CC3C4=C(C=CC=C4)NC=3)NC2=O)=O)C(C)CCC1
|
|
| MCULE-2000951928 |
0.63 |
CC1CCC(NC(CN2C(=O)C(CC3C4=C(C=CC=C4)NC=3)NC2=O)=O)CC1
|
|
| MCULE-2768848535 |
0.63 |
N1(C/C=C(/C)\C)[C@@H]2CC[C@@H](CN(C(=O)CC3C4=CC=CC=C4NC=3)C2)C1=O
|
|
| MCULE-6735306753 |
0.63 |
FC1=CC=C(C(NC(C(NC2CN(CC3=CC=CC=C3)CC2)=O)CC2C3=C(C=CC=C3)NC=2)=O)C=C1
|
|
| MCULE-8382235508 |
0.63 |
COC(C(CC1=CC(C)=CC=C1)CNC(C(NC(N)=O)CC1C2=C(C=CC=C2)NC=1)=O)=O
|
|
| MCULE-7082708759 |
0.63 |
C1(C[C@H](NC(=O)[C@@H]2CC3=CC=CC=C3CN2)C(=O)NC(C)C2=CC=CC=C2)C2C=CC=CC=2NC=1
|
|
| MCULE-3601675852 |
0.63 |
O=C(NC1CCCCCC1)CN1C(=O)C(CC2C3=C(C=CC=C3)NC=2)NC1=O
|
|
| MCULE-2426010178 |
0.63 |
C12(CC3CC(CC(C3)C1)C2)C1=CC=C(C=C1)C(=O)NC(CC1C2C=CC=CC=2NC=1)C(=O)NC1CCC(CC1)C
|
|
| MCULE-3853422135 |
0.63 |
O=C(NCC1CCCCC1)CN1C(=O)C(CC2C3=C(C=CC=C3)NC=2)NC1=O
|
|
| MCULE-5694930352 |
0.63 |
CC/C(/CC)=C/C(N[C@@H](C(OC)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-7921423260 |
0.63 |
CC1C(C)C(NC(CN2C(=O)C(CC3C4=C(C=CC=C4)NC=3)NC2=O)=O)CCC1
|
|
| MCULE-6150026108 |
0.63 |
CC1C(NC(CN2C(=O)C(CC3C4=C(C=CC=C4)NC=3)NC2=O)=O)CCCC1
|
|
| MCULE-8964711445 |
0.63 |
COCCNC(=O)[C@@H]1CC2=CN(C3C=CC=C([C@@H](N1)CC(C)C)C2=3)CC=C
|
|
| MCULE-7066500241 |
0.63 |
Cl.C1(C[C@H](N)C(NCCC2=CC=CC=C2)=O)C2C=CC=CC=2NC=1
|
|
| MCULE-9273245876 |
0.63 |
Cl.C1(C[C@H](N)C(NCCC2=CC=CC=C2)=O)C2C=CC=CC=2NC=1
|
|
| MCULE-2449380953 |
0.63 |
N1C2C=CC=CC=2C(CCN2C[C@H](CC3C=CC=CC=3)NC(=O)C2)=C1
|
|
| MCULE-8351253528 |
0.63 |
CN1C2C=CC=CC=2C(CCC(NC(C(=O)O)C2CC2)=O)=C1
|
|
| MCULE-8155879166 |
0.63 |
CN1C2=C(C=CC=C2)C(CCC(NC2(C(O)=O)CCC2)=O)=C1
|
|
| MCULE-1803383380 |
0.63 |
C(C(=O)N(CC(C)C)CC(N(CC1=CC=C(C)C=C1)CCC1C2C=CC=CC=2NC=1)=O)CC1C=CC=CC=1
|
|
| MCULE-7443636141 |
0.63 |
O=C(NCCC1=CC=CC=C1)CN1C(=O)C(CC2C3=C(C=CC=C3)NC=2)NC1=O
|
|
| MCULE-8749586269 |
0.63 |
N(C)(C)CCNC(CC(C1C=CC=C(C)C=1)C1C2=CC=CC=C2N(C=1)CC1=CC=C(C=C1)F)=O
|
|
| MCULE-4958923579 |
0.63 |
O=C(NC1CC1)CN1C(=O)C(CC2C3=C(C=CC=C3)NC=2)NC1=O
|
|
| MCULE-8200971125 |
0.63 |
O=C(N1CCCC1)CN1C(=O)C(CC2C3=C(C=CC=C3)NC=2)NC1=O
|
|
| MCULE-8110544835 |
0.63 |
N1(CC(=O)N[C@H](CC2C3C=CC=CC=3NC=2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CC=C(C=C2)OC)C(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C1)C(=O)C1(CCC1)COC
|
|
| MCULE-7813744414 |
0.63 |
CCCCC(C(O)=O)NC(C(NC(C)=O)CC1C2=C(C=C(C=C2)F)NC=1)=O
|
|
| MCULE-9192039049 |
0.63 |
N1(CCN(CC1)C(CC(C1C=CC=C(F)C=1)C1C2C=CC=CC=2N(C=1)CC)=O)CC=CC1C=CC=CC=1
|
|
| MCULE-6944740322 |
0.63 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCN(C(=O)CCOC)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)O
|
|
| MCULE-7023358568 |
0.63 |
N1(CC(=O)N[C@H](CC2C3C=CC=CC=3NC=2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CC=C(C=C2)OC)C(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C1)C(COC)=O
|
|
| MCULE-2953560834 |
0.63 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1C=CC=CC=1)C(=O)NCCN(C(CCC1=CC=CN=C1)=O)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)O
|
|
| MCULE-8218016231 |
0.63 |
N1(CC(=O)N[C@H](CC2C3C=CC=CC=3NC=2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CC=C(C=C2)OC)C(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C1)C(=O)C1=CC=C(C=C1)O
|
|
| MCULE-6962531528 |
0.63 |
C(=C/C1=CC=CC=C1)(\NC(C)=O)/C(=O)NC(C(O)=O)CC1C2C(=CC=CC=2)NC=1
|
|
| MCULE-6157770850 |
0.63 |
C(=CC1C=CC=CC=1)(NC(C)=O)C(=O)NC(CC1C2=CC=CC=C2NC=1)C(O)=O
|
|
| MCULE-1678023219 |
0.63 |
CC(N1CCN(C2CN(C(C(NC(N)=O)CC3C4=C(C=CC=C4)NC=3)=O)CC2)CC1)C
|
|
| MCULE-2555225111 |
0.63 |
C1(C[C@H](N)C(=O)N2CCC(CC2)C(=O)N[C@@H](CC(C)C)C(O)=O)C2C=CC=CC=2NC=1
|
|
| MCULE-8260538866 |
0.63 |
C1(CC(NC(=O)C2CC3=CC=CC=C3CN2)C(=O)NC2CCCC2)C2C=CC=CC=2NC=1
|
|
| MCULE-7898581620 |
0.63 |
N/C(/N)=N/CCC[C@H]1C(=O)NCCC[C@H](NC(CCC2=CC=CC=C2)=O)C(=O)N2[C@@H](CCC2)C(=O)N[C@H](CC2CCCCC2)C(=O)N[C@@H](CC2C3=C(C=CC=C3)NC=2)C(=O)N1
|
|
| MCULE-6994620526 |
0.63 |
C1CCCC1NC(=O)[C@@H]1CC2=CNC3C=CC=C([C@@H](N1)CC(C)C)C=32
|
|
| MCULE-8428915172 |
0.63 |
C1(C[C@H](NC(=O)[C@@H]2CC3=CC=CC=C3CN2)C(=O)NC2CCCC2)C2C=CC=CC=2NC=1
|
|
| MCULE-5340610834 |
0.63 |
CNC([C@@H](NC(CC1(C#N)CCOCC1)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-7079938280 |
0.63 |
FC1=CC=C(C(N[C@H](C(N2CC3C(CCCC3)CC2)=O)CC2C3=C(C=CC=C3)NC=2)=O)C=C1
|
|
| MCULE-8634586883 |
0.63 |
N12C[C@@H](C[C@H]1C(=O)N[C@H](C(C)C)CC[C@@H](C)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)NC(CC1C=CC=CC=1)=O
|
|
| MCULE-7839329304 |
0.63 |
NC(CN1C(=O)C(CC2C3C=CC=CC=3NC=2)NC1=O)=O
|
|
| MCULE-7245891646 |
0.63 |
N12CCN(C[C@@H]1C(N[C@@H](CC1C3C=CC=CC=3NC=1)C2=O)=O)CC1C=CC(=C(F)C=1)C
|
|
| MCULE-6348181964 |
0.63 |
CC(NC(C(NCC(N1CC2=C(C=CC=C2)CC1)(C)C)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-6150815956 |
0.63 |
N1(CC(=O)N[C@H](CC2C3C=CC=CC=3NC=2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2C=CC(=CC=2)OC)C(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C1)C(CCC1C=NNC=1)=O
|
|
| MCULE-7743272734 |
0.63 |
C1(C[C@@H](C(O)=O)NC(=O)[C@@H]2CCCN2C)C2C=CC=CC=2NC=1
|
|
| MCULE-3483974160 |
0.63 |
N1(C)[C@@H](C)C(=O)N[C@@H](CC2C=CC=CC=2)C(=O)NCCN(C(=O)C2=CC=C3C(=C2)N=CN3C)CC(=O)N[C@@H](CC2C3C=CC=CC=3NC=2)C1=O
|
|
| MCULE-9021116789 |
0.63 |
CC1N(C(CN2CCN(C(CCC3C4=C(C=CC=C4)NC=3)=O)CC2)=O)CCCC1
|
|
| MCULE-3439333325 |
0.63 |
N1(CC2C=CC=CC=2C[C@@]1([H])C(NC)=O)C(=O)[C@H](CC1C2C=CC=CC=2N(C)C=1)NC(=O)OC(C)(C)C
|
|
| MCULE-2536733912 |
0.63 |
CCNC(CN1CCN(C(CCC2C3=C(C=CC=C3)NC=2)=O)CCC1)=O
|
|
| MCULE-4461719461 |
0.63 |
NC(CN1CCN(C(CCC2C3=C(C=CC=C3)NC=2)=O)CCC1)=O
|
|
| MCULE-6276947066 |
0.63 |
N[C@H](C(N1CCN(CC2C=CC=CC=2)CC1)=O)CC1C2C=CC=CC=2NC=1
|
|
| MCULE-6687884875 |
0.63 |
C#CCNC(=O)[C@@H]1CC2=CN(C3C=CC=C([C@@H](N1)CC(C)C)C2=3)CC=C
|
|
| MCULE-6030521408 |
0.63 |
CC1CCCC=1C(NC(C(=O)O)CC1C2C(=CC=CC=2NC=1)Br)=O
|
|
| MCULE-6769669585 |
0.63 |
FC1C=CC(=CC=1)CNC(=O)[C@@H]1CC2=CN(C3C=CC=C([C@@H](N1)CC(C)C)C2=3)CC=C
|
|
| MCULE-3319287766 |
0.63 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1C=CC=CC=1)C(=O)NCCN(C(CCC1C=C(C)C=C(C)C=1)=O)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)O
|
|
| MCULE-6306238587 |
0.63 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCN(C(=O)C1CC1)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)O
|
|
| MCULE-6168645507 |
0.63 |
C1(C[C@H](NC(=O)C2CCN(CC2)C(=O)CNC(=O)OC(C)(C)C)C(=O)NC2CCCCC2)C2C=CC=CC=2NC=1
|
|
| MCULE-4152684025 |
0.63 |
C1(C)(C)C(C1(C)C)C(=O)N1CCNC(=O)[C@H](CC2=CC=CC=C2)NC([C@@H]2C[C@@H](O)CN2C(=O)[C@@H](CC2C3C=CC=CC=3NC=2)NC(=O)C1)=O
|
|
| MCULE-2788404783 |
0.63 |
O=C1[C@@](CC2C3C(=CC=CC=3)NC=2)([H])NC(=O)[C@]([H])([C@@H](C)O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]2([H])CCCN2C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC2C3C(=CC=CC=3)NC=2)NC(=O)[C@H](CCN)NC(=O)[C@@H](CCN)NC(=O)[C@H](CCCN)NC(=O)[C@H](CCN)NC(=O)[C@@]([C@H](CC)C)([H])N1
|
|
| MCULE-1459291869 |
0.63 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1C=CC=CC=1)C(=O)NCCN(C(=O)CN(C)C1CCCC1)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)O
|
|
| MCULE-1998247962 |
0.63 |
O=C([C@H](CC1C2C=CC=CC=2NC=1)NC(=O)[C@H]([C@H](CC)C)N)O
|
|
| MCULE-7273271159 |
0.63 |
CN(C(CCC1C2C=CC=CC=2NC=1)=O)CC(N1CC(C(=O)O)CCC1)=O
|
|
| MCULE-9462799285 |
0.63 |
C1(C[C@H](N)C(=O)N2CCC(CC2)C(=O)N[C@@H](C(C)C)C(O)=O)C2C=CC=CC=2NC=1
|
|
| MCULE-9809698909 |
0.63 |
C(C1=CNC2C=CC=CC1=2)C(C(O)=O)NC(=O)C(N)CC(C)C
|
|
| MCULE-5666902625 |
0.63 |
[C@]12(C)CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(CCC(=O)NCC(=O)NC(CC1C2C=CC=CC=2NC=1)C(O)=O)=O
|
|
| MCULE-2342237933 |
0.63 |
O=C(N1CCCC1)CN1CCN(C(CCC2C3=C(C=CC=C3)NC=2)=O)CC1
|
|
| MCULE-5100925677 |
0.63 |
N12C[C@@H](C[C@H]1C(=O)N[C@H](C(C)C)CC[C@@H](C)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)NC(=O)[C@@H]1CCC(=O)N1
|
|
| MCULE-9024733223 |
0.63 |
N1(CC(=O)N[C@H](CC2C3C=CC=CC=3NC=2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CC=C(C=C2)OC)C(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C1)C(=O)C1CCN(CC1)C(C)=O
|
|
| MCULE-1843549417 |
0.63 |
N1(CC(=O)N[C@H](CC2C3C=CC=CC=3NC=2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2C=CC(=CC=2)OC)C(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C1)C(=O)CNC(N)=O
|
|
| MCULE-2795674716 |
0.63 |
N1[C@H](CC2C3C=CC=CC=3NC=2)C(=O)NCCCN(CCCC(=O)N[C@@H](C)C1=O)C(C1=CC=NC=C1)=O
|
|
| MCULE-2557724817 |
0.63 |
N12C[C@@H](C[C@H]1C(=O)N[C@H](C(C)C)CC[C@@H](C)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)NC(C1CCC1)=O
|
|
| MCULE-5411688920 |
0.63 |
N1(CC(=O)N[C@H](CC2C3C=CC=CC=3NC=2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CC=C(C=C2)OC)C(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C1)C(=O)[C@@H]1CCC(=O)N1
|
|
| MCULE-3560815372 |
0.63 |
N12C[C@@H](C[C@H]1C(=O)N[C@H](C(C)C)CC[C@@H](C)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)NC(C1CCCC1)=O
|
|
| MCULE-5343961222 |
0.63 |
N12C[C@@H](C[C@H]1C(=O)N[C@H](C(C)C)CC[C@@H](C)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)NC(=O)[C@H]1CCC(=O)N1
|
|
| MCULE-3128288922 |
0.63 |
FC1=CC=C(C(NC(C(NC2CCCCC2)=O)CC2C3=C(C=CC=C3)NC=2)=O)C=C1
|
|
| MCULE-9527855206 |
0.63 |
C1(CC(NC(=O)OC(C)(C)C)C(=O)NC2CCCCCC2)C2=CC=CC=C2NC=1
|
|
| MCULE-4606718043 |
0.63 |
C1(CC(NC(=O)OC(C)(C)C)C(=O)NCC(O)=O)C2=CC=CC=C2NC=1
|
|
| MCULE-4133426187 |
0.63 |
N1(CC(=O)N[C@H](CC2C3C=CC=CC=3NC=2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2C=CC(=CC=2)OC)C(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C1)C(CCCN1CCCC1=O)=O
|
|
| MCULE-6736052429 |
0.63 |
N1(CC(=O)N[C@H](CC2C3C=CC=CC=3NC=2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CC=C(C=C2)OC)C(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C1)C(=O)[C@H]1CCC(=O)N1
|
|
| MCULE-6623438595 |
0.63 |
N1(CC(=O)N[C@H](CC2C3C=CC=CC=3NC=2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2C=CC(=CC=2)OC)C(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C1)C(CCC(NC)=O)=O
|
|
| MCULE-2223770618 |
0.63 |
Cl.N1(CCN(CC1)CC=CC1C=CC=CC=1)C(=O)CCC1C2C=CC=CC=2NC=1
|
|
| MCULE-8225777750 |
0.63 |
CC1=C2C(NC=C2CCC(N[C@@H]2C(=O)NCCC2)=O)=CC=C1
|
|
| MCULE-9361942674 |
0.63 |
N[C@H](C(NC1CN(CC2C=CC=CC=2)CC1)=O)CC1C2C=CC=CC=2NC=1
|
|
| MCULE-5299561363 |
0.63 |
C1(CC(C(NCCC2=CNC3=CC=C(OC)C=C23)=O)NC(=O)OC(C)(C)C)C2C=CC=CC=2N(C)C=1
|
|
| MCULE-8643722691 |
0.63 |
C1(C[C@@H](C(NCCC2=CNC3=CC=C(OC)C=C23)=O)NC(=O)OC(C)(C)C)C2C=CC=CC=2N(C)C=1
|
|
| MCULE-6203624357 |
0.63 |
C1=CC=CC=C1CNC(=O)[C@@H]1CC2=CN(C3C=CC=C([C@@H](N1)CC(C)C)C2=3)CC1=CC=NC=C1
|
|
| MCULE-3639854756 |
0.63 |
C1=C(C=CN=C1)CNC(=O)[C@@H]1CC2=CN(C3C=CC=C([C@@H](N1)CC(C)C)C2=3)CC1=CC=NC=C1
|
|
| MCULE-3282907697 |
0.63 |
CCN(C([C@H](CC1C2C=CC=CC=2NC=1)N)=O)CC(C)C
|
|
| MCULE-2261532121 |
0.63 |
CN(C([C@H](CC1C2C=CC=CC=2NC=1)N)=O)CC(C)(C)C
|
|
| MCULE-6296062576 |
0.63 |
CCCN(C([C@H](CC1C2C=CC=CC=2NC=1)N)=O)CCC
|
|
| MCULE-9738486729 |
0.63 |
CC(CNC([C@H](CC1C2C=CC=CC=2NC=1)N)=O)(C)C
|
|
| MCULE-3163940629 |
0.63 |
C1(CC(N)C(=O)NCC(C)C)C2C=CC=CC=2NC=1
|
|
| MCULE-4241652043 |
0.63 |
C1(CC(N)C(NCCC)=O)C2C=CC=CC=2NC=1
|
|
| MCULE-2220653091 |
0.63 |
CC(C(NC([C@H](CC1C2C=CC=CC=2NC=1)N)=O)C)C
|
|
| MCULE-9283695405 |
0.63 |
CCCN(C([C@H](CC1C2C=CC=CC=2NC=1)N)=O)C
|
|
| MCULE-4834833143 |
0.63 |
CCC(NC([C@H](CC1C2C=CC=CC=2NC=1)N)=O)C
|
|
| MCULE-1174539122 |
0.63 |
CC(CN(C([C@H](CC1C2C=CC=CC=2NC=1)N)=O)C)C
|
|
| MCULE-1980548566 |
0.63 |
CCCN(C([C@H](CC1C2C=CC=CC=2NC=1)N)=O)CC
|
|
| MCULE-5682409107 |
0.63 |
C1(C[C@H](N)C(=O)NCC(C)C)C2C=CC=CC=2NC=1
|
|
| MCULE-8008790767 |
0.63 |
C1(C[C@H](N)C(NCCC)=O)C2C=CC=CC=2NC=1
|
|
| MCULE-4882778605 |
0.63 |
C(=O)(N[C@@H](CC1C2C=CC=CC=2NC=1)C(O)=O)C1(CCCCC1)N1CCCC1
|
|
| MCULE-6020795191 |
0.63 |
CC(NC(C(N1CCN(CC2=CC=C(F)C=C2)CCC1)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-1481841777 |
0.63 |
O=C(NC(C(N1CCCC1)=O)CC1=CC=CC=C1)CC1C2=C(C=CC=C2)NC=1
|
|
| MCULE-3645500071 |
0.63 |
COC(CCNC([C@H](CC1C2C=CC=CC=2NC=1)N)=O)=O
|
|
| MCULE-6690225006 |
0.63 |
COC(C(CNC([C@H](CC1C2C=CC=CC=2NC=1)N)=O)(C)C)=O
|
|
| MCULE-5267000720 |
0.63 |
N1(CC2C=CC(=CC=2)C)C2=CC=CC=C2C(CCC(NCCN2CCCC2)=O)=C1
|
|
| MCULE-9833034256 |
0.63 |
COCCN(CCNC([C@H](CC1C2C=CC=CC=2NC=1)N)=O)C
|
|
| MCULE-4155183457 |
0.63 |
COC(C(CN(C([C@H](CC1C2C=CC=CC=2NC=1)N)=O)C)C)=O
|
|
| MCULE-9351922761 |
0.63 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCN(C(C1CCCC1)=O)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)O
|
|
| MCULE-2292562627 |
0.63 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCN(C(=O)CC1CCC1)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)O
|
|
| MCULE-7484942405 |
0.63 |
N1(C)[C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NCCN(C(=O)CN2CCOC2=O)CC(=O)N[C@@H](CC2C3C=CC=CC=3NC=2)C1=O
|
|
| MCULE-9306548642 |
0.63 |
N12C[C@@H](C[C@H]1C(=O)NCCCC[C@H](NC(C1CCC1)=O)C(N[C@H](C)C(=O)N[C@@H](CC1C3C=CC=CC=3NC=1)C(=O)N[C@H](CC(C)C)C2=O)=O)O
|
|
| MCULE-1962248542 |
0.63 |
N12C[C@@H](C[C@H]1C(=O)NCCCC[C@H](NC(=O)C1CC1)C(N[C@H](C)C(=O)N[C@@H](CC1C3C=CC=CC=3NC=1)C(=O)N[C@H](CC(C)C)C2=O)=O)O
|
|
| MCULE-4149890424 |
0.63 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1C=CC=CC=1)C(=O)NCCN(CC1CCCCC1)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)O
|
|
| MCULE-8618403080 |
0.63 |
N12C[C@@H](C[C@H]1C(=O)N[C@H](C(C)C)CC[C@@H](C)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)NC(=O)CCOC
|
|
| MCULE-7424122016 |
0.63 |
OC([C@H](NC(C1CC=CC1)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-7723356706 |
0.63 |
OC(C(NC(C1CC=CC1)=O)CC1C2C=CC=CC=2NC=1)=O
|
|
| MCULE-2550464732 |
0.63 |
C1CN(C(=O)[C@@H]2CC3=CN(C4C=CC=C([C@@H](N2)CC(C)C)C3=4)CC2C=NC=CC=2)CCN1C
|
|
| MCULE-8497725541 |
0.63 |
C(NC(=O)[C@@H]1CC2=CN(C3C=CC=C([C@@H](N1)CC(C)C)C2=3)CC#CC)CN(C)C
|
|
| MCULE-7087285502 |
0.63 |
CN1C2=C(C=CC=C2)C(CCC(NCC(O)=O)=O)=C1
|
|
| MCULE-2734574012 |
0.63 |
CCN(C(CCC1C2C=CC=CC=2N(C)C=1)=O)CC(=O)O
|
|
| MCULE-3382933392 |
0.63 |
CN(C(CCC1C2C=CC=CC=2N(C)C=1)=O)CC(=O)O
|
|
| MCULE-5730143037 |
0.63 |
N12CCN(C[C@@H]1C(N[C@@H](CC1C3C=CC=CC=3NC=1)C2=O)=O)CC1C=C(C)C=CC=1F
|
|
| MCULE-3129329286 |
0.63 |
C1(CC(NC(OCC(C)C)=O)C(=O)NC2CCCCCC2)C2C=CC=CC=2NC=1
|
|
| MCULE-9823186746 |
0.63 |
C1(CC(C(=O)NCC2C=CC=NC=2)NC(=O)C2CCC(C)CC2)C2C=CC=CC=2NC=1
|
|
| MCULE-8971227191 |
0.63 |
N1(CC(=O)N[C@H](CC2C3C=CC=CC=3NC=2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CC=C(C=C2)OC)C(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C1)C(CO)=O
|
|
| MCULE-4157487799 |
0.63 |
N1[C@H](CC2C3C=CC=CC=3NC=2)C(=O)NCCCN(CCCC(=O)N[C@@H](C)C1=O)CC1C=CC=NC=1
|
|
| MCULE-8366093698 |
0.63 |
N1(CC(=O)N[C@H](CC2C3C=CC=CC=3NC=2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2C=CC(=CC=2)OC)C(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C1)C([C@H](C)O)=O
|
|
| MCULE-8709930550 |
0.63 |
CC(NC(CN1C(=O)N(C)CC1=O)=O)CC1C2=C(C=CC=C2)N(C)C=1
|
|
| MCULE-3335556414 |
0.63 |
C1(CC(NC(C)=O)C(=O)NC(C2=CC=CC=C2)C2C=CC=CC=2)C2=CC=CC=C2NC=1
|
|
| MCULE-8505294774 |
0.63 |
CCN(C(CN1C(=O)C(CC2C3=C(C=CC=C3)NC=2)NC1=O)=O)C1CCCCC1
|
|
| MCULE-1607089687 |
0.63 |
CC(CCCC(NC(CN1C(=O)C(CC2C3=C(C=CC=C3)NC=2)NC1=O)=O)C)C
|
|
| MCULE-7611447107 |
0.63 |
CN(C(CN1C(=O)C(CC2C3=C(C=CC=C3)NC=2)NC1=O)=O)C1CCCCC1
|
|
| MCULE-3329173050 |
0.63 |
CCCNC(=O)[C@@H]1CC2=CNC3C=CC=C([C@@H](N1)CC(C)C)C=32
|
|
| MolPort-010-307-992 |
0.63 |
CN(CC1=CC=C(Cl)C=C1)C(=O)C(CC1=CNC2=CC=CC=C12)NC(C)=O
|
|
| MolPort-009-758-382 |
0.63 |
Cl.CC(C)[C@H](NC(=O)C1CCN(CC1)C(=O)[C@@H](N)CC1=CNC2=CC=CC=C12)C(O)=O
|
|
| MolPort-009-345-404 |
0.63 |
CC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N1CCN(CC1)C1=CC=CC(C)=C1
|
|
| MolPort-002-525-232 |
0.63 |
CC(O)[C@@H](NC(=O)C1CCN(CC1)C(=O)[C@@H](N)CC1=CNC2=CC=CC=C12)C(O)=O
|
|
| MolPort-000-797-656 |
0.63 |
[Cl-].CC(C)[C@H](NC(=O)C1CCN(CC1)C(=O)[C@@H]([NH3+])CC1=CNC2=CC=CC=C12)C(O)=O
|
|
| MolPort-006-501-710 |
0.63 |
CCN1CCN(CC1)C(=O)CC(C1=CN(C)C2=CC=CC=C12)C1=CC(=CC=C1)C(F)(F)F
|
|
| MolPort-046-633-114 |
0.63 |
NC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)N1CCC(CC#N)CC1
|
|
| MolPort-019-934-775 |
0.63 |
CC(C)C[C@@H]1N[C@@H](CC2=CN(C)C3=CC=CC1=C23)C(=O)NCC#C
|
|
| MolPort-005-596-786 |
0.63 |
CC(C)C(NC(=O)CC1=CC=CC=C1)C(=O)N1CCC(=CC1)C1=CNC2=CC=CC=C12
|
|
| MolPort-046-581-071 |
0.63 |
CC(C)C[C@H]1NC(=O)[C@H](CC2=CNC3=CC=CC=C23)NC(=O)[C@@H](C)NC(=O)[C@H](CCCCNC(=O)[C@@H]2C[C@@H](O)CN2C1=O)NC(=O)CN1CCCC1=O
|
|
| MolPort-009-020-398 |
0.63 |
O=C(CN1C(=O)NC(CC2=CNC3=CC=CC=C23)C1=O)NC1CCCC1
|
|
| MolPort-046-577-147 |
0.63 |
CC(C)C[C@H]1NC(=O)[C@H](CC2=CNC3=CC=CC=C23)NC(=O)[C@@H](C)NC(=O)[C@H](CCCCNC(=O)[C@@H]2C[C@@H](O)CN2C1=O)NC(=O)[C@H]1CCC(=O)N1
|
|
| MolPort-001-897-069 |
0.63 |
COC(=O)C(NC(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)OC(C)(C)C)C(C)C
|
|
| MolPort-046-569-624 |
0.63 |
COC1=CC=C(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC3=CNC4=CC=CC=C34)NC(=O)CN(C[C@@H](NC(=O)[C@@H](C)NC2=O)C(C)C)C(=O)C2CCOCC2)C=C1
|
|
| MolPort-045-916-768 |
0.63 |
O[C@@H]1C[C@@H]2N(C1)C(=O)[C@@H](CC1=CNC3=CC=CC=C13)NC(=O)CN(CCNC(=O)[C@H](CC1=CC=CC=C1)NC2=O)C(=O)C1CCCCC1
|
|
| MolPort-002-519-850 |
0.63 |
CN1C=C(C2CC(=O)N(CCC3=CNC4=CC=CC=C34)C2=O)C2=CC=CC=C12
|
|
| MolPort-005-799-069 |
0.63 |
O=C(CN1C(=O)NC(CC2=CNC3=CC=CC=C23)C1=O)C1=CN(CCC#N)C2=CC=CC=C12
|
|
| MolPort-046-579-638 |
0.63 |
CC(C)C[C@H]1NC(=O)[C@H](CC2=CNC3=CC=CC=C23)NC(=O)[C@@H](C)NC(=O)[C@H](CCCCNC(=O)[C@@H]2C[C@@H](O)CN2C1=O)NC(=O)[C@@H]1CCC(=O)N1
|
|
| MolPort-009-130-086 |
0.63 |
CC(C)CCC(C)NC(=O)CN1C(=O)NC(CC2=CNC3=CC=CC=C23)C1=O
|
|
| MolPort-046-631-693 |
0.63 |
COC(=O)CNC(=O)C(CC1=CNC2=CC=CC=C12)NC(N)=O
|
|
| MolPort-028-806-444 |
0.63 |
CC1CCN(CC1)C(=O)CN1C(=O)NC(CC2=CNC3=CC=CC=C23)C1=O
|
|
| MolPort-045-932-602 |
0.63 |
CC[C@H]1CC[C@@H](CC1)C(=O)N1CCNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC(=O)C1
|
|
| MolPort-028-806-445 |
0.63 |
O=C(CN1C(=O)NC(CC2=CNC3=CC=CC=C23)C1=O)N1CCCCC1
|
|
| MolPort-045-932-616 |
0.63 |
O[C@@H]1C[C@@H]2N(C1)C(=O)[C@@H](CC1=CNC3=CC=CC=C13)NC(=O)CN(CCNC(=O)[C@H](CC1=CC=CC=C1)NC2=O)C(=O)CC1CCCCC1
|
|
| MolPort-045-940-133 |
0.63 |
O[C@@H]1C[C@@H]2N(C1)C(=O)[C@@H](CC1=CNC3=CC=CC=C13)NC(=O)CN(CCNC(=O)[C@H](CC1=CC=CC=C1)NC2=O)C(=O)CCC1CCC1
|
|
| MolPort-019-934-836 |
0.63 |
CC#CCN1C=C2C[C@H](N[C@@H](CC(C)C)C3=C2C1=CC=C3)C(=O)N1CCN(CC1)C(C)=O
|
|
| MolPort-007-740-538 |
0.63 |
CN(C)CCNC(=O)CCC1=CN(CC2=C(C)C=CC=C2)C2=CC=CC=C12
|
|
| MolPort-002-526-829 |
0.63 |
N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N1CCC(CC1)C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O
|
|
| MolPort-016-906-297 |
0.63 |
CN1C=C(C(CC(=O)NCCN2CCCC2)C2=CC=C(C=C2)C(C)(C)C)C2=CC=CC=C12
|
|
| MolPort-019-934-850 |
0.63 |
CC#CCN1C=C2C[C@H](N[C@@H](CC(C)C)C3=C2C1=CC=C3)C(=O)N1CCN(C)CC1
|
|
| MolPort-006-486-141 |
0.63 |
CCN1C=C(C(CC(=O)N(CCN(C)C)CC2=CC=CC=C2)C2=CC(C)=CC=C2)C2=CC=CC=C12
|
|
| MolPort-044-675-964 |
0.63 |
O[C@@H]1C[C@@H]2N(C1)C(=O)[C@@H](CC1=CNC3=CC=CC=C13)NC2=O
|
|
| MolPort-045-907-305 |
0.63 |
COC1=CC=CC(CN2CCN3[C@H](C2)C(=O)N[C@@H](CC2=CNC4=CC=CC=C24)C3=O)=C1
|
|
| MolPort-002-526-896 |
0.63 |
CC(C)(C)OC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N1CCC(CC1)C(O)=O
|
|
| MolPort-028-806-411 |
0.63 |
O=C(CN1C(=O)NC(CC2=CNC3=CC=CC=C23)C1=O)NCCC1=CCCCC1
|
|
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0.63 |
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CC(NC(=O)CCC1=CNC2=CC=CC=C12)C(=O)NCC1=CC=CC=C1
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CN1C=C(CC(NC(=O)OC(C)(C)C)C(=O)NC2CCN(CC3=CC=CN=C3)CC2)C2=CC=CC=C12
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CN1C=C(C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCN2C=CN=C2)C2=CC=CC=C12
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CN1C=C(C[C@H](NC(=O)OC(C)(C)C)C(=O)NC2CCN(CC3=CC=CN=C3)CC2)C2=CC=CC=C12
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NC(CC1=CNC2=CC=CC=C12)C(=O)N1CCCCC1
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CCN(CC)CCNC(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)C1=CC=C(C=C1)C12CC3CC(CC(C3)C1)C2
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CC1=C(CN2C=C(CCC(=O)NCCN3CCCCCC3)C3=CC=CC=C23)C=CC=C1
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CC(NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O)C[C@]12C)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O
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O[C@@H]1C[C@@H]2N(C1)C(=O)[C@@H](CC1=CNC3=CC=CC=C13)NC(=O)CN(CCNC(=O)[C@H](CC1=CC=CC=C1)NC2=O)C(=O)CCCN1CCCC1=O
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COC1=CC=C(C=C1)C(=O)N1CCN2[C@H](C1)C(=O)N[C@@H](CC1=CNC3=CC=CC=C13)C2=O
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| MolPort-000-754-475 |
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CC(C)C(NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O)C[C@]12C)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O
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| MolPort-028-883-967 |
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FC(F)(F)C1=CC=CC(=C1)C(CC(=O)NCCN1CCCC1)C1=CN(CC2=CC=CC=C2)C2=CC=CC=C12
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| MolPort-046-567-363 |
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COC1=CC=C(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC3=CNC4=CC=CC=C34)NC(=O)CN(C[C@@H](NC(=O)[C@@H](C)NC2=O)C(C)C)C(=O)C2=CC=NC=C2)C=C1
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| MolPort-046-567-829 |
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C[C@@H]1NC(=O)CCCN(CCCNC(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC1=O)C(=O)C1=CN=CC=C1
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| MolPort-020-114-034 |
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NC(=O)CN(C1CCCC1)C(=O)CCC1=CNC2=CC=CC=C12
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| MolPort-003-788-878 |
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N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N1CCCCC1
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| MolPort-046-572-879 |
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CC(C)[C@@H]1CC[C@@H](C)CC(=O)N[C@H](CC2=CNC3=CC=CC=C23)C(=O)N2C[C@@H](C[C@H]2C(=O)N1)NC(=O)C1=CC=CC=C1
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| MolPort-045-932-558 |
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CC(=O)NCCCC(=O)N1CCNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC(=O)C1
|
|
| MolPort-028-883-945 |
0.62 |
CCN1CCN(CC1)C(=O)CC(C1=CN(CC2=CC=CC=C2)C2=CC=CC=C12)C1=CC(=CC=C1)C(F)(F)F
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| MolPort-004-551-963 |
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CN(C)CCNC(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)OCC1=CC=CC=C1
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|
| MolPort-046-418-751 |
0.62 |
C[C@H](NC(=O)[C@@H](N)CC1=CNC2=CC=CC=C12)C(=O)NCC(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(O)=O
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| MolPort-009-600-370 |
0.62 |
CCC(C)NC(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)OCC1=CC=CC=C1
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| MolPort-000-824-868 |
0.62 |
Cl.O=C(NC1CCCC1)C(CC1=CNC2=CC=CC=C12)NC(=O)C1CC2=C(CN1)C=CC=C2
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| MolPort-046-569-811 |
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C[C@@H]1NC(=O)CCCN(CCCNC(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC1=O)C(=O)[C@@H]1CCCO1
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|
| MolPort-009-758-576 |
0.62 |
Cl.O=C(NC1CCCC1)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@@H]1CC2=C(CN1)C=CC=C2
|
|
| MolPort-019-934-898 |
0.62 |
COC1=CC=CC=C1CNC(=O)[C@@H]1CC2=CN(CC=C)C3=CC=CC([C@H](CC(C)C)N1)=C23
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| MolPort-004-608-639 |
0.62 |
CCC(C)NC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)OCC1=CC=CC=C1
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|
| MolPort-046-567-604 |
0.62 |
C[C@@H]1NC(=O)CCCN(CCCNC(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC1=O)C(=O)[C@H]1CCCO1
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|
| MolPort-046-570-066 |
0.62 |
COC1=CC=C(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC3=CNC4=CC=CC=C34)NC(=O)CN(C[C@@H](NC(=O)[C@@H](C)NC2=O)C(C)C)C(=O)CC2=CC=CN=C2)C=C1
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| MolPort-042-664-782 |
0.62 |
CN1C=C(CC(NC(=O)OC(C)(C)C)C(=O)NCCC2=NC=CC=C2)C2=CC=CC=C12
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|
| MolPort-003-297-256 |
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CC(C)CNC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)OCC1=CC=CC=C1
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|
| MolPort-039-196-970 |
0.62 |
CN1C=C(C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC2=NC=CC=C2)C2=CC=CC=C12
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| MolPort-000-804-496 |
0.62 |
[Cl-].CC(C)C[C@H](NC(=O)C1CCN(CC1)C(=O)[C@@H]([NH3+])CC1=CNC2=CC=CC=C12)C(O)=O
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|
| MolPort-009-758-361 |
0.62 |
Cl.CC(C)C[C@H](NC(=O)C1CCN(CC1)C(=O)[C@@H](N)CC1=CNC2=CC=CC=C12)C(O)=O
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|
| MolPort-005-656-848 |
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COC1=CC2=CC=C(CNC(=O)C(CC3=CNC4=CC=CC=C34)NC(C)=O)C=C2C=C1
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|
| MolPort-020-147-307 |
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CC(CNC(=O)CCC1=CNC2=CC=CC=C12)N1CCN(C)CC1
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| MolPort-016-906-180 |
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CC1=CC=C(C=C1)C(CC(=O)NCCN1CCCC1)C1=CN(CC2=CC=CC=C2)C2=CC=CC=C12
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| MolPort-006-489-471 |
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CN1C=C(C(CC(=O)N2CCN(CC3=CC=CC=C3)CC2)C2=CC=C(C)C=C2)C2=CC=CC=C12
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| MolPort-044-561-443 |
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CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CNC=N1)NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@H](CC1=CNC=N1)NC(=O)C(C)C)C(C)C
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| MolPort-028-889-758 |
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CCN1CCN(CC1)C(=O)CC(C1=CN(CC2=CC=CC=C2)C2=CC=CC=C12)C1=CC=C(C)C=C1
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| MolPort-003-983-837 |
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CN([C@H](CC1=CC=C(C=C1)C1=CC=CC=C1)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=O)C(=O)C1=CC(C)=CC(C)=C1
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| MolPort-004-052-102 |
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FC(F)(F)CNC(=O)CN1C(=O)NC(CC2=CNC3=CC=CC=C23)C1=O
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| MolPort-020-206-532 |
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ClC1=C(CN[C@H]2C[C@@H]3N(C2)C(=O)[C@H](CC2=CNC4=CC=CC=C24)NC3=O)C=CC=C1
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| MolPort-000-791-130 |
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| MolPort-046-576-776 |
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| MolPort-006-489-465 |
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CN1C=C(C(CC(=O)N2CCN(CC2)C(C2=CC=CC=C2)C2=CC=CC=C2)C2=CC=C(C)C=C2)C2=CC=CC=C12
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| MolPort-046-707-791 |
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CC(=O)NC(CC1=CNC2=CC(F)=CC=C12)C(=O)NC1CCC(F)(F)CC1
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| MolPort-002-523-277 |
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CC(C)[C@H](NC(=O)C1CCN(CC1)C(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)OC(C)(C)C)C(O)=O
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| MolPort-044-271-233 |
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CC=C(C)C(=O)NC(CC1=CNC2=CC(F)=CC=C12)C(O)=O
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| MolPort-019-934-797 |
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CC(C)C[C@@H]1N[C@@H](CC2=CN(CC3=CC=CN=C3)C3=CC=CC1=C23)C(=O)NC1CC1
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FC1=CC(=CC(F)=C1)C(=O)N1CCN2[C@H](C1)C(=O)N[C@@H](CC1=CNC3=CC=CC=C13)C2=O
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CN1C=C(C[C@H](NC(=O)OC(C)(C)C)C(=O)N2CCC3=CC=CC=C3C2)C2=CC=CC=C12
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COC1=C2C=CN(CCNC(=O)[C@H](CC3=CN(C)C4=CC=CC=C34)NC(=O)OC(C)(C)C)C2=CC=C1
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| MolPort-046-704-570 |
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CCOC(=O)CN1CCCN(CC1)C(=O)C(CC1=CNC2=CC=CC=C12)NC(N)=O
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O=C1N[C@H](CC2=CNC3=CC=CC=C23)C(=O)N[C@H]1CC1=CNC=N1
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CCCNC(=O)[C@@H]1CC2=CN(CC#CC)C3=CC=CC([C@H](CC(C)C)N1)=C23
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O=C1N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)N[C@H]1CC1=CNC=N1
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CC(N)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O
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| MolPort-023-276-254 |
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CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)NCC(=O)N[C@@H](C)C(O)=O
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| MolPort-046-596-268 |
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C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CCC2OC(=O)CCC(=O)NCC(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O
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| MolPort-023-276-253 |
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CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)NCC(=O)N[C@@H](C)C(O)=O
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| MolPort-002-524-532 |
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C[C@H](N)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=O
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| MolPort-002-515-859 |
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C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2OC(=O)CCC(=O)NCC(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O
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| MolPort-046-722-086 |
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CCN1CCN(CC1)C1CCN(C1)C(=O)C(CC1=CNC2=CC(F)=CC=C12)NC(C)=O
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C[C@@H]1COCCN1C(=O)C(CC1=CNC2=CC=CC=C12)NC(C)=O
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O=C1NC(CC2=CNC3=CC=CC=C23)C(=O)N1CC1CCCCC1
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| MCULE-7901883751 |
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CC(NC(C(N1CC=C(C2C3=C(N=CC=C3)NC=2)CC1)=O)CC1C2=C(C=CC=C2)NC=1)=O
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| MCULE-6655901487 |
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CC1=C2C(C(=CN2)CCC(NC2C(=O)NCCCC2)=O)=CC=C1
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|
| MCULE-5505035811 |
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S(C(C)C)(=O)(=O)N1CCN(CC1)C(=O)[C@H](CC1C2C=CC=CC=2N(C)C=1)NC(=O)OC(C)(C)C
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| MCULE-8721446784 |
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N[C@H](C(NCCN1CCOCC1)=O)CC1C2C=CC=CC=2NC=1
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| MCULE-2914614356 |
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C1(CC(NC(=O)OC(C)(C)C)C(=O)NC2CCN(CC2)CC2C=CC=NC=2)C2C=CC=CC=2N(C)C=1
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| MCULE-3594058955 |
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C1(C2C=CC=CC=2N(C)C=1)C1CC(N(C)C1=O)=O
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| MCULE-3638943184 |
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C1(C[C@H](NC(=O)OC(C)(C)C)C(=O)NC2CCN(CC2)CC2C=CC=NC=2)C2C=CC=CC=2N(C)C=1
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| MCULE-7986987754 |
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N1(CC2=CC=CC=C2C)C2=CC=CC=C2C(CCC(NCCN2CCCCC2C)=O)=C1
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| MCULE-6409880929 |
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C1(C[C@@H](C(NCCN2C=CN=C2)=O)NC(=O)OC(C)(C)C)C2C=CC=CC=2N(C)C=1
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| MCULE-9580932329 |
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N(C)(C)CCNC(CC(C1C=CC=CC=1)C1C2C=CC=C(CC)C=2N(C=1)CC)=O
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| MCULE-3983229690 |
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N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCN(C(CCCN1CCCC1=O)=O)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)O
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| MCULE-5887332468 |
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N[C@H](C(NCC1C(O)CCC1)=O)CC1C2C=CC=CC=2NC=1
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| MCULE-1942123413 |
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N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1C=CC=CC=1)C(=O)NCCN(C(CCCNC(C)=O)=O)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)O
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| MCULE-2774081179 |
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CC(C(NC(C(O)=O)CC1C2=C(C=CC=C2)NC=1)=O)CC1=CC=C(C)C=C1
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|
| MCULE-1544841813 |
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N12CCN(C[C@@H]1C(N[C@@H](CC1C3C=CC=CC=3NC=1)C2=O)=O)C(=O)C1C=CC(=CC=1)OC
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| MCULE-6329316652 |
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C1(CC(NC(C)=CC(C)=O)C(=O)NCC2C=CC=CC=2)C2C=CC=CC=2NC=1
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|
| MCULE-8194396250 |
0.62 |
N1(CC(=O)N[C@H](CC2C3C=CC=CC=3NC=2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CC=C(C=C2)OC)C(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C1)C(C1=CC=NC=C1)=O
|
|
| MCULE-6599307465 |
0.62 |
CC(C1=CC=C(F)C=C1)NC(C(NC(C1=C(Cl)C=CC=C1)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-6903958579 |
0.62 |
N1[C@H](CC2C3C=CC=CC=3NC=2)C(=O)NCCCN(CCCC(=O)N[C@@H](C)C1=O)C(=O)C1=CC=CN=C1
|
|
| MCULE-6658049090 |
0.62 |
CC(NC(C(N1CCC(NC(C2=CC=C(F)C=C2)=O)CC1)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-7911781625 |
0.62 |
N12C[C@@H](C[C@H]1C(=O)N[C@H](C(C)C)CC[C@@H](C)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)NC(C1=CC=CC=C1)=O
|
|
| MCULE-6012767204 |
0.62 |
CC(NC(C(N1CCN(CC2=C(Cl)C=CC=C2F)CC1)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-4443989027 |
0.62 |
CC(NC(C(N1CC(C(=O)O)OCC1)=O)CC1C2C=CC=CC=2NC=1)=O
|
|
| MCULE-1257159048 |
0.62 |
COC([C@H](NC(CN1C(=O)C2C(CC=CC2)C1=O)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-6061784422 |
0.62 |
C1(C(C2=CC=CC(=C2)C(F)(F)F)CC(=O)N2CCN(CC2)CC)C2=CC=CC=C2N(CC2=CC=CC=C2)C=1
|
|
| MCULE-5784554548 |
0.62 |
N1(CCN(CC1)C(CC(C1C=CC(=CC=1)C)C1C2C=CC=CC=2NC=1)=O)CC=CC1C=CC=CC=1
|
|
| MCULE-9861756848 |
0.62 |
C1(C(CC(NCCN2CCCC2)=O)C2=CC=CC(=C2)C(F)(F)F)C2=CC=CC=C2N(CC2=CC=CC=C2)C=1
|
|
| MCULE-8890158072 |
0.62 |
N[C@H](C(NCC1C2C=CC=CC=2CCN1)=O)CC1C2C=CC=CC=2NC=1
|
|
| MCULE-7132228108 |
0.62 |
C12(CC3CC(CC(C3)C1)C2)C1C=CC(=CC=1)C(=O)NC(CC1C2C=CC=CC=2NC=1)C(NCCN(CC)CC)=O
|
|
| MCULE-5207713867 |
0.62 |
CC(C(N1CC=C(C2C3=C(C=CC=C3)NC=2)CC1)=O)NC(C=CC1=CC=CC=C1)=O
|
|
| MCULE-9655104786 |
0.62 |
CCN1C2C=CC=CC=2C(CC(N(CC(N2CC(C(=O)O)CCC2)=O)C)=O)=C1
|
|
| MCULE-1221080236 |
0.62 |
CC(C(C(N1CCC(C2C3=C(C=CC=C3)NC=2)CC1)=O)NC(C)=O)C
|
|
| MCULE-7028809152 |
0.62 |
C1(CC(C(O)=O)NC(CN(CCN(CCN(CC(O)=O)CC(=O)NC(CC2C3C=CC=CC=3NC=2)C(O)=O)CC(O)=O)CC(O)=O)=O)C2C=CC=CC=2NC=1
|
|
| MCULE-9325443927 |
0.62 |
N1(C)C2=CC=CC=C2C(CCC(NCCC2C=CC(=CC=2)C)=O)=C1
|
|
| MCULE-1012472017 |
0.62 |
N1(CC2=CC=CC=C2C)C2=CC=CC=C2C(CCC(NCCN2CCCCCC2)=O)=C1
|
|
| MCULE-7881767492 |
0.62 |
CCN1C2C=CC=CC=2C(CC(NCC(N[C@H](C(=O)O)CC(C)C)=O)=O)=C1
|
|
| MCULE-9922278339 |
0.62 |
COC([C@@H](NC([C@H](CC1C2C=CC=CC=2NC=1)N)=O)C)=O
|
|
| MCULE-3571225858 |
0.62 |
N1(CC)C2=CC=CC=C2C(CCC(NCCC2C=CC=CC=2)=O)=C1
|
|
| MCULE-5985834152 |
0.62 |
C1(C[C@H](N)C(=O)N2CCC(CC2)C)C2C=CC=CC=2NC=1
|
|
| MCULE-3424930426 |
0.62 |
CN(C([C@H](CC1C2C=CC=CC=2NC=1)N)=O)C1CCCC1
|
|
| MCULE-2089518203 |
0.62 |
CC1(CCC1)CNC([C@H](CC1C2C=CC=CC=2NC=1)N)=O
|
|
| MCULE-8290557699 |
0.62 |
N[C@H](C(NCCC(F)(F)F)=O)CC1C2C=CC=CC=2NC=1
|
|
| MCULE-8417479584 |
0.62 |
CC1CCN(C([C@H](CC2C3C=CC=CC=3NC=2)N)=O)CC1
|
|
| MCULE-9010896070 |
0.62 |
CC(C1CN(C([C@H](CC2C3C=CC=CC=3NC=2)N)=O)CC1)C
|
|
| MCULE-4719564217 |
0.62 |
CC(C1CCN(C([C@H](CC2C3C=CC=CC=3NC=2)N)=O)CC1)C
|
|
| MCULE-3470544531 |
0.62 |
CC1(CCN(C([C@H](CC2C3C=CC=CC=3NC=2)N)=O)CC1)C
|
|
| MCULE-4814514750 |
0.62 |
N[C@H](C(NC1C(C2C=CC=CC=2)C1)=O)CC1C2C=CC=CC=2NC=1
|
|
| MCULE-2002871829 |
0.62 |
CC1(CN(C([C@H](CC2C3C=CC=CC=3NC=2)N)=O)CCC1)C
|
|
| MCULE-6245649692 |
0.62 |
CCC1(CCN(C([C@H](CC2C3C=CC=CC=3NC=2)N)=O)CC1)C
|
|
| MCULE-8491146607 |
0.62 |
N[C@H](C(NC1CCCC1)=O)CC1C2=C(C=CC=C2)NC=1
|
|
| MCULE-6892859586 |
0.62 |
CC1CN(C([C@H](CC2C3C=CC=CC=3NC=2)N)=O)CCC1
|
|
| MCULE-2036838865 |
0.62 |
CC1C(C)CN(C([C@H](CC2C3C=CC=CC=3NC=2)N)=O)CC1
|
|
| MCULE-4231328051 |
0.62 |
CN(C([C@H](CC1C2C=CC=CC=2NC=1)N)=O)CCC1C=CN=CC=1
|
|
| MCULE-1153084315 |
0.62 |
CCC1CN(C([C@H](CC2C3C=CC=CC=3NC=2)N)=O)CC1
|
|
| MCULE-5902827226 |
0.62 |
N[C@H](C(N1CC(C2C=CC=CC=2)CC1)=O)CC1C2C=CC=CC=2NC=1
|
|
| MCULE-9916294718 |
0.62 |
CC(C1CCN(C([C@H](CC2C3C=CC=CC=3NC=2)N)=O)CC1)(C)C
|
|
| MCULE-7565983607 |
0.62 |
C1(C[C@H](N)C(=O)N2CCCCC2)C2C=CC=CC=2NC=1
|
|
| MCULE-5537534549 |
0.62 |
CC1(C(CNC([C@H](CC2C3C=CC=CC=3NC=2)N)=O)C1)C
|
|
| MCULE-5399162958 |
0.62 |
C1(C[C@H](N)C(=O)N2CCCCC2)C2C=CC=CC=2NC=1
|
|
| MCULE-7501647559 |
0.62 |
NC(CN(C(CCC1C2=C(C=CC=C2)NC=1)=O)C1CCCC1)=O
|
|
| MCULE-6244597299 |
0.62 |
N[C@H](C(NCC1CCC1)=O)CC1C2C=CC=CC=2NC=1
|
|
| MCULE-1783146838 |
0.62 |
CC1CN(C([C@H](CC2C3C=CC=CC=3NC=2)N)=O)CC(C)C1
|
|
| MCULE-1454505179 |
0.62 |
CCC1(CN(C([C@H](CC2C3C=CC=CC=3NC=2)N)=O)CC1)CC
|
|
| MCULE-7130408036 |
0.62 |
N[C@H](C(NC1CCCC1)=O)CC1C2C=CC=CC=2NC=1
|
|
| MCULE-3831310586 |
0.62 |
CN(C([C@H](CC1C2C=CC=CC=2NC=1)N)=O)CCC1CC1
|
|
| MCULE-3537123070 |
0.62 |
C1(CC(N)C(=O)N2CCCCC2)C2C=CC=CC=2NC=1
|
|
| MCULE-7583196629 |
0.62 |
CCC1CCN(C([C@H](CC2C3C=CC=CC=3NC=2)N)=O)CC1
|
|
| MCULE-1934209246 |
0.62 |
[C@]12(C)CC(O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(CCC(=O)NC(C)C(=O)NC(CC1C2C=CC=CC=2NC=1)C(O)=O)=O
|
|
| MCULE-1259959607 |
0.62 |
[C@]12(C)CC(O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(CCC(=O)NC(C(C)C)C(=O)NC(CC1C2C=CC=CC=2NC=1)C(O)=O)=O
|
|
| MCULE-6711394199 |
0.62 |
C(C1C(=CC=CC=1)OC)NC(=O)[C@@H]1CC2=CN(C3C=CC=C([C@@H](N1)CC(C)C)C2=3)CC=C
|
|
| MCULE-3039724631 |
0.62 |
C1(CC(C(NCCC2C=CC=CN=2)=O)NC(=O)OC(C)(C)C)C2C=CC=CC=2N(C)C=1
|
|
| MCULE-6485653972 |
0.62 |
C1(C[C@@H](C(NCCC2C=CC=CN=2)=O)NC(=O)OC(C)(C)C)C2C=CC=CC=2N(C)C=1
|
|
| MCULE-8233213131 |
0.62 |
N1[C@H](CC2C3C=CC=CC=3NC=2)C(=O)NCCCN(CCCC(=O)N[C@@H](C)C1=O)C(=O)[C@@H]1CCCO1
|
|
| MCULE-1202160018 |
0.62 |
N1[C@H](CC2C3C=CC=CC=3NC=2)C(=O)NCCCN(CCCC(=O)N[C@@H](C)C1=O)C(=O)[C@H]1CCCO1
|
|
| MCULE-1384628614 |
0.62 |
N1(CC(=O)N[C@H](CC2C3C=CC=CC=3NC=2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2C=CC(=CC=2)OC)C(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C1)C(=O)CC1=CC=CN=C1
|
|
| MCULE-8534445351 |
0.62 |
Cl.C1(CC(NC(=O)C2CC3=CC=CC=C3CN2)C(=O)NC2CCCC2)C2C=CC=CC=2NC=1
|
|
| MCULE-7104892863 |
0.62 |
CCC(NC(C(NC(OCC1=CC=CC=C1)=O)CC1C2=C(C=CC=C2)NC=1)=O)C
|
|
| MCULE-7372637642 |
0.62 |
C1(C[C@H](NC(=O)[C@@H]2CC3=CC=CC=C3CN2)C(=O)NC2CCCC2)C2C=CC=CC=2NC=1.Cl
|
|
| MCULE-5228129789 |
0.62 |
CC(CNC([C@@H](NC(OCC1=CC=CC=C1)=O)CC1C2=C(C=CC=C2)NC=1)=O)C
|
|
| MCULE-5367929840 |
0.62 |
O=C([C@H](CC1=CNC2=CC=CC=C12)N)N[C@H](C(NCC(NCC(N[C@@H](CC(=O)O)C(N[C@@H](C)C(N[C@H](C(NCC(N[C@H](C(=O)O)CCC(=O)O)=O)=O)CO)=O)=O)=O)=O)=O)C
|
|
| MCULE-7724387083 |
0.62 |
CN(CCNC(C(NC(OCC1=CC=CC=C1)=O)CC1C2=C(C=CC=C2)NC=1)=O)C
|
|
| MCULE-9011967459 |
0.62 |
[Cl-].C1(C[C@H]([NH3+])C(=O)N2CCC(CC2)C(=O)N[C@@H](CC(C)C)C(O)=O)C2C=CC=CC=2NC=1
|
|
| MCULE-7939858180 |
0.62 |
N1(CCCCC1)CCNC(CC(C1=CC=CC(=C1)C(F)(F)F)C1C2C=CC=CC=2N(C=1)C)=O
|
|
| MCULE-6239936640 |
0.62 |
COC1=CC2=C(C=C(C=C2)CNC(C(NC(C)=O)CC2C3=C(C=CC=C3)NC=2)=O)C=C1
|
|
| MCULE-6360445394 |
0.62 |
CC(N1CCN(C)CC1)CNC(CCC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-2881147064 |
0.62 |
N1(C)[C@@H](C)C(=O)N[C@@H](CC2C=CC=CC=2)C(=O)NCCN(C(=O)C2C=CN(C(=O)C=2)CC)CC(=O)N[C@@H](CC2C3C=CC=CC=3NC=2)C1=O
|
|
| MCULE-4203242055 |
0.62 |
C1C(C)=CC(C)=CC=1C(=O)N(C)[C@H](CC1C=CC(C2C=CC=CC=2)=CC=1)C(=O)N[C@H](C(O)=O)CC1C2C=CC=CC=2NC=1
|
|
| MCULE-6708755622 |
0.62 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1C=CC=CC=1)C(=O)NCCN(CC1C=CC=CC=1)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)O
|
|
| MCULE-4539882917 |
0.62 |
N12C[C@@H](C[C@H]1C(=O)NCCCC[C@H](NC(=O)C1(C3C=CC=CC=3)CC1)C(N[C@H](C)C(=O)N[C@@H](CC1C3C=CC=CC=3NC=1)C(=O)N[C@H](CC(C)C)C2=O)=O)O
|
|
| MCULE-7662113519 |
0.62 |
C12C=CC=CC=1NC=C2C[C@@H](C(=O)O)NC(=O)[C@H](N(C)C(=O)C1=CC(=CC(C)=C1)C)CC1C=CC(C2=CC=CC=C2)=CC=1
|
|
| MCULE-8551097386 |
0.62 |
C1(C2C=CC=CC=2NC=1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CC1)C(=O)N[C@@H](C(C)C)C(O)=O
|
|
| MCULE-3050816702 |
0.62 |
N12C[C@H](C[C@H]1C(=O)N[C@@H](CC1C3C=CC=CC=3NC=1)C2=O)NCC1=CC=CC=C1Cl
|
|
| MCULE-6479989627 |
0.62 |
C1(C[C@H](NC(=O)C2CCN(CC2)C(=O)CNC(=O)OC(C)(C)C)C(=O)NC(C)C2C=CC=CC=2)C2C=CC=CC=2NC=1
|
|
| MCULE-7315845070 |
0.62 |
CC(NC(C(NC1CCC(F)(F)CC1)=O)CC1C2=C(C=C(C=C2)F)NC=1)=O
|
|
| MCULE-7035326647 |
0.62 |
FC(CNC(CN1C(=O)C(CC2C3=C(C=CC=C3)NC=2)NC1=O)=O)(F)F
|
|
| MCULE-7823178580 |
0.62 |
C/C=C(\C(NC(C(=O)O)CC1C2C=CC(=CC=2NC=1)F)=O)/C
|
|
| MCULE-5844028953 |
0.62 |
CC=C(C(NC(C(O)=O)CC1C2=C(C=C(C=C2)F)NC=1)=O)C
|
|
| MCULE-6376940101 |
0.62 |
CC(C[C@@H](C(=O)O)NC(CNC(CCC1C2C=CC=C(C)C=2NC=1)=O)=O)C
|
|
| MCULE-7720132234 |
0.62 |
C1(C(C2C=CC(C)=CC=2)CC(NCCN2CCCC2)=O)C2C=CC=CC=2N(CC2C=CC=CC=2)C=1
|
|
| MCULE-4878750500 |
0.62 |
CN(C(CCC1C2C=C(C=CC=2NC=1)C)=O)CC(N1CCC(C(=O)O)CC1)=O
|
|
| MCULE-4800045849 |
0.62 |
N1(CCN(CC1)C(CC(C1C=CC(C)=CC=1)C1=CN(C)C2=C1C=CC=C2)=O)C(C1C=CC=CC=1)C1C=CC=CC=1
|
|
| MCULE-4007740150 |
0.62 |
N1(CCN(CC1)C(CC(C1C=CC(C)=CC=1)C1=CN(C)C2=C1C=CC=C2)=O)CC1C=CC=CC=1
|
|
| MCULE-2579145679 |
0.62 |
C1(C(C2=CC=C(C)C=C2)CC(=O)N2CCN(CC2)CC)C2C=CC=CC=2N(CC2C=CC=CC=2)C=1
|
|
| MCULE-1903761442 |
0.62 |
CC1CCC(CNC([C@H](CC2C3C=CC=CC=3NC=2)N)=O)CC1
|
|
| MCULE-2282605289 |
0.62 |
CC1C(CNC([C@H](CC2C3C=CC=CC=3NC=2)N)=O)CCCC1
|
|
| MCULE-4680055556 |
0.62 |
N[C@H](C(NCCC1CCCC1)=O)CC1C2C=CC=CC=2NC=1
|
|
| MCULE-7862122710 |
0.62 |
CC1CC(NC([C@H](CC2C3C=CC=CC=3NC=2)N)=O)CCC1
|
|
| MCULE-7915012715 |
0.62 |
CC(C(=O)O)CN(C(CCC1C2C=CC=CC=2N(C)C=1)=O)C1CC1
|
|
| MCULE-5656402314 |
0.62 |
CCC1CC(NC([C@H](CC2C3C=CC=CC=3NC=2)N)=O)CCC1
|
|
| MCULE-3231789426 |
0.62 |
CCC1CCC(CNC([C@H](CC2C3C=CC=CC=3NC=2)N)=O)CC1
|
|
| MCULE-5768023416 |
0.62 |
CC(NC(CCC1C2C=CC=CC=2N(C)C=1)=O)CC(=O)O
|
|
| MCULE-2530595410 |
0.62 |
CC(C(C(=O)O)C)NC(CCC1C2C=CC=CC=2N(C)C=1)=O
|
|
| MCULE-6317450718 |
0.62 |
CCC1CCC(NC([C@H](CC2C3C=CC=CC=3NC=2)N)=O)CC1
|
|
| MCULE-4238830753 |
0.62 |
CCCC1CCC(NC([C@H](CC2C3C=CC=CC=3NC=2)N)=O)CC1
|
|
| MCULE-8765349327 |
0.62 |
CC1CC(CCNC([C@H](CC2C3C=CC=CC=3NC=2)N)=O)CCC1
|
|
| MCULE-5632852451 |
0.62 |
CC1CCC(NC([C@H](CC2C3C=CC=CC=3NC=2)N)=O)CCC1
|
|
| MCULE-5303750329 |
0.62 |
C1CC1NC(=O)[C@@H]1CC2=CN(C3C=CC=C([C@@H](N1)CC(C)C)C2=3)CC1C=NC=CC=1
|
|
| MCULE-9619842934 |
0.62 |
C[C@@H]1CC[C@@H](NC([C@H](CC2C3C=CC=CC=3NC=2)N)=O)CC1
|
|
| MCULE-4062821904 |
0.62 |
CC(C1CCCCC1)NC([C@H](CC1C2C=CC=CC=2NC=1)N)=O
|
|
| MCULE-1519657295 |
0.62 |
CC1(CCC(CNC([C@H](CC2C3C=CC=CC=3NC=2)N)=O)CC1)C
|
|
| MCULE-7472281989 |
0.62 |
CC1(CCC(NC([C@H](CC2C3C=CC=CC=3NC=2)N)=O)CC1)C
|
|
| MCULE-8870167165 |
0.62 |
C1(CC(C(NCCN2C=CC3C(=CC=CC=32)OC)=O)NC(=O)OC(C)(C)C)C2C=CC=CC=2N(C)C=1
|
|
| MCULE-2378500368 |
0.62 |
CC1C(NC([C@H](CC2C3C=CC=CC=3NC=2)N)=O)CCCC1
|
|
| MCULE-4373313905 |
0.62 |
N[C@H](C(NCCC1CCCCC1)=O)CC1C2C=CC=CC=2NC=1
|
|
| MCULE-4123664118 |
0.62 |
C1(C[C@@H](C(NCCN2C=CC3C(=CC=CC=32)OC)=O)NC(=O)OC(C)(C)C)C2C=CC=CC=2N(C)C=1
|
|
| MCULE-2206778697 |
0.62 |
CCCNC(=O)[C@@H]1CC2=CN(C3C=CC=C([C@@H](N1)CC(C)C)C2=3)CC#CC
|
|
| MCULE-5462957598 |
0.62 |
N[C@H](C(NCC1CCCCC1)=O)CC1C2C=CC=CC=2NC=1
|
|
| MCULE-8999594401 |
0.62 |
C1(C[C@H](NC(=O)OC(C)(C)C)C(=O)N2CCC3=C(C=CC=C3)C2)C2C=CC=CC=2N(C)C=1
|
|
| MCULE-1400759806 |
0.62 |
CN(C([C@H](CC1C2C=CC=CC=2NC=1)N)=O)CC1CCCCC1
|
|
| MCULE-8936839072 |
0.62 |
CC1C(C)C(NC([C@H](CC2C3C=CC=CC=3NC=2)N)=O)CCC1
|
|
| MCULE-2935813371 |
0.62 |
N[C@H](C(NC1CCCCCC1)=O)CC1C2C=CC=CC=2NC=1
|
|
| MCULE-2937694459 |
0.62 |
CC1CC(NC([C@H](CC2C3C=CC=CC=3NC=2)N)=O)CC(C)C1
|
|
| MCULE-3990264113 |
0.62 |
CCC1(CCCC1)CNC([C@H](CC1C2C=CC=CC=2NC=1)N)=O
|
|
| MCULE-1972761542 |
0.62 |
CC(C1CCCC1)NC([C@H](CC1C2C=CC=CC=2NC=1)N)=O
|
|
| MCULE-3988250325 |
0.62 |
CC1CC(CNC([C@H](CC2C3C=CC=CC=3NC=2)N)=O)CCC1
|
|
| MCULE-7819007184 |
0.62 |
N1(CC(=O)N[C@H](CC2C3C=CC=CC=3NC=2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CC=C(C=C2)OC)C(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C1)C(=O)CN(C)CC1C=CN=CC=1
|
|
| MCULE-1228042701 |
0.62 |
N1[C@H](CC2C3C=CC=CC=3NC=2)C(=O)NCCCN(CCCC(=O)N[C@@H](C)C1=O)C(=O)C1C=CNC=1
|
|
| MCULE-6986020845 |
0.62 |
O=C(NC(C)C)N1CCN([C@H](C1)C(=O)N[C@H](CC1C2C=CC=CC=2NC=1)C(N)=O)C(C1CCCCC1)=O
|
|
| MCULE-7296940290 |
0.62 |
CCOC(CN1CCN(C(C(NC(N)=O)CC2C3=C(C=CC=C3)NC=2)=O)CCC1)=O
|
|
| MCULE-9038343833 |
0.62 |
N1[C@@H](CC2=CNC=N2)C(=O)N[C@@H](CC2C3C=CC=CC=3NC=2)C1=O
|
|
| MCULE-9009795804 |
0.62 |
N12CCN(C[C@@H]1C(N[C@@H](CC1C3C=CC=CC=3NC=1)C2=O)=O)C(=O)C1=CC(F)=CC(F)=C1
|
|
| MCULE-8234279991 |
0.62 |
N1[C@@H](CC2=CNC=N2)C(=O)N[C@H](CC2C3C=CC=CC=3NC=2)C1=O
|
|
| MCULE-2734383799 |
0.62 |
O=C1N(CC2CCCCC2)C(=O)C(CC2C3=C(C=CC=C3)NC=2)N1
|
|
| MCULE-5171242772 |
0.62 |
CCN1CCN(C2CN(C(C(NC(C)=O)CC3C4=C(C=C(C=C4)F)NC=3)=O)CC2)CC1
|
|
| MCULE-1892609919 |
0.62 |
C[C@H]1N(C(C(NC(C)=O)CC2C3=C(C=CC=C3)NC=2)=O)CCOC1
|
|
| MCULE-3268254543 |
0.62 |
CC(NC(C(N1CCC(C(=O)N)CC1)=O)CC1C2C=CC(=CC=2NC=1)F)=O
|
|
| MCULE-1771209039 |
0.62 |
OC(C(CC1=CNC2=CC=CC=C12)NC(C(C)N)=O)=O
|
|
| MCULE-8494327255 |
0.62 |
CCOC(CCNC([C@H](CC1C2C=CC=CC=2NC=1)N)=O)=O
|
|
| MCULE-5585419980 |
0.62 |
CC1=CC(CCC(NC(C(O)=O)CC2C3=C(C=CC=C3)NC=2)=O)=CC(C)=C1
|
|
| MCULE-6141365710 |
0.62 |
C12C=CC=CC=1NC=C2C[C@@H](C(=O)O)NC(=O)[C@@H](N)C
|
|
| MCULE-1618316299 |
0.62 |
C(N)C(N[C@H](CCCCN)C(NCC(N[C@@H](C(NCC(N[C@H](CC(C)C)C(N[C@@H](CO)C(N[C@@H](CC(C)C)C(N[C@@H](CO)C(N[C@@H](CCCNC(N)=N)C(N[C@H](C(N[C@H](CO)C(N[C@@H](C(NCC(N[C@H](C(O)=O)C)=O)=O)CC1C2C=CC=CC=2NC=1)=O)=O)CC1C=CC=CC=1)=O)=O)=O)=O)=O)=O)=O)C)=O)=O)=O
|
|
| MCULE-5561076923 |
0.62 |
C(N)C(N[C@H](CCCCN)C(NCC(N[C@H](CCCNC(N)=N)C(NCC(N[C@H](CC(C)C)C(N[C@@H](CO)C(N[C@@H](CC(C)C)C(N[C@@H](CO)C(N[C@H](C(N[C@H](C(N[C@H](CO)C(N[C@@H](C(NCC(N[C@H](C(O)=O)C)=O)=O)CC1C2C=CC=CC=2NC=1)=O)=O)CC1C=CC=CC=1)=O)C)=O)=O)=O)=O)=O)=O)=O)=O)=O
|
|
| MCULE-3291880010 |
0.62 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCN(C(C1=CC=CC=C1)=O)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)O
|
|
| MCULE-7995133164 |
0.62 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCN(C(=O)COC(C)C)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)O
|
|
| MCULE-8284881548 |
0.62 |
N1(C)[C@@H](C)C(=O)N[C@@H](CC2C=CC=CC=2)C(=O)NCCN(C(=O)CCC2C(C)=NN(C)C=2C)CC(=O)N[C@@H](CC2C3C=CC=CC=3NC=2)C1=O
|
|
| MCULE-3589992156 |
0.62 |
C1(C[C@H](N)C(=O)N2CCCC2)C2C=CC=CC=2NC=1.Cl
|
|
| MCULE-9885857480 |
0.62 |
CC(C1CC1)NC([C@H](CC1C2C=CC=CC=2NC=1)N)=O
|
|
| MCULE-4233188299 |
0.62 |
Cl.C1(C[C@H](N)C(=O)N2CCCC2)C2C=CC=CC=2NC=1
|
|
| MCULE-4764081435 |
0.62 |
CC1(C(C)(C)C1NC([C@H](CC1C2C=CC=CC=2NC=1)N)=O)C
|
|
| MCULE-1035193352 |
0.62 |
CC1CC(NC([C@H](CC2C3C=CC=CC=3NC=2)N)=O)C1
|
|
| MCULE-5743938153 |
0.62 |
N1(CC(=O)N2C[C@H](CC)NC(=O)[C@H](CC3C=CC=CC=3)NC([C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C2)=O)C2C=CC=CC=2C(C(CCC)=O)=C1
|
|
| MCULE-6582920272 |
0.62 |
C[C@@H](C(OC(C)(C)C)=O)NC(C(NC(N)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-6200452958 |
0.62 |
CC(NC(C(N1CC(C2CC2)(O)C1)=O)CC1C2=C(C=C(C=C2)F)NC=1)=O
|
|
| MCULE-6611407860 |
0.62 |
CCN(C(C(NC(C)=O)CC1C2=C(C=CC=C2)NC=1)=O)CC1OCCC1
|
|
| MCULE-8392127774 |
0.62 |
N1(C)[C@@H](C)C(=O)N[C@@H](CC2C=CC=CC=2)C(=O)NCCN(CC2C(Cl)=C(NN=2)C)CC(=O)N[C@@H](CC2C3C=CC=CC=3NC=2)C1=O
|
|
| MCULE-6108109615 |
0.62 |
CN(C(C1=CC=CC=C1)CNC(C(NC(OCC1=CC=CC=C1)=O)CC1C2=C(C=CC=C2)NC=1)=O)C
|
|
| MCULE-5746381632 |
0.62 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1C=CC=CC=1)C(=O)NCCN(C(=O)C1CCN(CC1)CC(N)=O)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)O
|
|
| MCULE-3200487206 |
0.62 |
C1(CC(C(NCCCl)=O)NC(OCC2C=CC=CC=2)=O)C2C=CC=CC=2NC=1
|
|
| MCULE-2090814591 |
0.62 |
C1(C2C=CC=CC=2NC=1)CC(NC(=O)OC(C)(C)C)C(=O)N1CCC(CC1)C(=O)NCC(O)=O
|
|
| MCULE-2700768460 |
0.62 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCN(C(=O)CCC(=O)N(C)C)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)O
|
|
| MCULE-8863156894 |
0.62 |
COC1=C(CNC([C@@H](NC(C2=C(Cl)C=CC=C2)=O)CC2C3=C(C=CC=C3)NC=2)=O)C=CC=C1
|
|
| MCULE-4238781580 |
0.62 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1C=CC=CC=1)C(=O)NCCN(C(=O)CC1C=CC(=CC=1)C(C)C)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)O
|
|
| MCULE-5273247346 |
0.62 |
C1(C2C=CC=CC=2NC=1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CC1)C(=O)N(C)CC(O)=O
|
|
| MCULE-3745652397 |
0.62 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1C=CC=CC=1)C(=O)NCCN(C(C1CCNCC1)=O)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)O
|
|
| MCULE-4353665645 |
0.62 |
N1(CC(=O)N[C@H](CC2C3C=CC=CC=3NC=2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2C=CC(=CC=2)OC)C(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C1)C(=O)C1C=CC=C(O)C=1
|
|
| MCULE-3039059573 |
0.62 |
N[C@H](C(N1C[C@@H](C2C=CC=CC=2)[C@H](N)C1)=O)CC1C2C=CC=CC=2NC=1
|
|
| MCULE-1037128515 |
0.62 |
CC(C(C1C2=C(C=CC=C2)NC=1)=O)N1CCN(C(C2CC2)=O)CC1
|
|
| MCULE-2377881473 |
0.62 |
C1(C2C=CC=CC=2NC=1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CC1)C(=O)NCC(O)=O
|
|
| MCULE-7671779854 |
0.62 |
CC1N(CC=C)C(C)=C(C(CN2C(=O)C(CC3C4=C(C=CC=C4)NC=3)NC2=O)=O)C=1
|
|
| MCULE-9769497773 |
0.62 |
O=C(NC(C)C)N1CCN([C@H](C1)C(=O)N[C@H](CC1C2C=CC=CC=2NC=1)C(N)=O)C(NC(C)C)=O
|
|
| MCULE-2766445777 |
0.62 |
N1[C@@H](CC2C3C=CC=CC=3NC=2)C(=O)N[C@@H](CCSC)C1=O
|
|
| MCULE-5117835986 |
0.62 |
N1(CCCCC1)CCNC(CC(C1C=CC=C(C)C=1)C1C2=CC=CC=C2N(C=1)CC1=CC=C(C=C1)F)=O
|
|
| MCULE-7988756089 |
0.62 |
OC(C(NC(NCC(N(CC=C)CC=C)=O)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-3611645976 |
0.62 |
N1[C@@H](CC2C3C=CC=CC=3NC=2)C(=O)N[C@H](CCSC)C1=O
|
|
| MCULE-3978560208 |
0.62 |
C12(CC3CC(CC(C3)C1)C2)C1C=CC(=CC=1)C(=O)NC(CC1C2C=CC=CC=2NC=1)C(NCCC(C)C)=O
|
|
| MCULE-8969223634 |
0.62 |
CC(N(C(CCC1C2=C(C=CC=C2)NC=1)=O)C)CNC(CCC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-8491100277 |
0.62 |
C#CCNC(=O)[C@@H]1CC2=CN(C3C=CC=C([C@@H](N1)CC(C)C)C2=3)CC1CC1
|
|
| MCULE-5603109811 |
0.62 |
C1(CC(NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC(C)C)NC(=O)OC(C)(C)C)C(=O)NC(C(C)C)C(OC)=O)C2C=CC=CC=2NC=1
|
|
| MCULE-2525449948 |
0.62 |
C1(C[C@@H](C(NCCNC2=NC=CC=N2)=O)NC(=O)OC(C)(C)C)C2C=CC=CC=2N(C)C=1
|
|
| MCULE-8614152237 |
0.62 |
CC(NC(=O)[C@@H]1CC2=CNC3C=CC=C([C@@H](N1)CC(C)C)C=32)C
|
|
| MCULE-5603834353 |
0.62 |
C1(C[C@@H](C(NCCC2=CC=C(C(OC)=C2)OC)=O)NC(=O)OC(C)(C)C)C2C=CC=CC=2N(C)C=1
|
|
| MCULE-4098122796 |
0.62 |
CN1C2CN(C([C@H](CC3C4C=CC=CC=4NC=3)N)=O)CCC1CC2
|
|
| MCULE-7715748866 |
0.62 |
N12C[C@@H](C[C@H]1C(=O)NCCCC[C@H](NC(C1=CC=CC=C1)=O)C(N[C@H](C)C(=O)N[C@@H](CC1C3C=CC=CC=3NC=1)C(=O)N[C@H](CC(C)C)C2=O)=O)O
|
|
| MCULE-3870509344 |
0.62 |
N[C@H](C(N1CCCCCC1)=O)CC1C2C=CC=CC=2NC=1
|
|
| MCULE-8985565144 |
0.62 |
C1(CC(NC(=O)OC(C)(C)C)C(=O)N2CCN(CC2)CCC2C=CC=CN=2)C2C=CC=CC=2N(C)C=1
|
|
| MCULE-8803234622 |
0.62 |
CC(C1CCN(C([C@H](CC2C3C=CC=CC=3NC=2)N)=O)CCC1)(C)C
|
|
| MCULE-6563094680 |
0.62 |
C1(CC(C(NCCNC2=NC=CC=N2)=O)NC(=O)OC(C)(C)C)C2C=CC=CC=2N(C)C=1
|
|
| MCULE-2769539339 |
0.62 |
C1(C2C=CC=CC=2NC=1)CC(NC(=O)OC(C)(C)C)C(=O)N1CCC(CC1)C(=O)NC(C)C(O)=O
|
|
| MCULE-4357616810 |
0.62 |
C1(C[C@H](NC(=O)OC(C)(C)C)C(=O)N2CCN(CC2)CCC2C=CC=CN=2)C2C=CC=CC=2N(C)C=1
|
|
| MCULE-6403532636 |
0.62 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1C=CC=CC=1)C(=O)NCCN(C(=O)C(C)(C)OC)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)O
|
|
| MCULE-5377793131 |
0.62 |
N12C[C@@H](C[C@H]1C(=O)NCCCC[C@H](NC(COC(C)C)=O)C(N[C@H](C)C(=O)N[C@@H](CC1C3C=CC=CC=3NC=1)C(=O)N[C@H](CC(C)C)C2=O)=O)O
|
|
| MCULE-6675284449 |
0.62 |
CC(N(C(CCC1C2C=CC=CC=2N(C)C=1)=O)CCC(=O)O)C
|
|
| MCULE-7489927997 |
0.62 |
CCC(C1C=CC=CC=1)CC(NC(C(=O)O)CC1C2C=CC=CC=2NC=1)=O
|
|
| MCULE-7012023078 |
0.62 |
C(=O)(N1[C@H](C(=O)N[C@@H](C(N)=O)CC2=CNC3=C2C=CC=C3)C[C@H](CC1)NC(COC)=O)COC
|
|
| MCULE-5953648732 |
0.62 |
N1(C[C@H]2CC[C@@H]1CN(C2)CC(=O)N(C)C)C(=O)CCC1C2=CC=CC=C2NC=1
|
|
| MCULE-5915475222 |
0.62 |
N12C[C@@H](C[C@H]1C(=O)NCCCC[C@H](NC(=O)CCOC)C(N[C@H](C)C(=O)N[C@@H](CC1C3C=CC=CC=3NC=1)C(=O)N[C@H](CC(C)C)C2=O)=O)O
|
|
| MCULE-4453763230 |
0.62 |
N12CCC[C@@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@H](CN(C(=O)CC1C3=CC=CC=C3NC=1)CC(=O)N[C@@H](C)C2=O)CC1C=CC=CC=1
|
|
| MCULE-6398065498 |
0.62 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1C=CC=CC=1)C(=O)NCCN(C(COC)=O)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)O
|
|
| MCULE-9277667016 |
0.62 |
C1(C[C@@H](C(NCCC2C=CC=CC=2)=O)NC(OCC2=CC=CC=C2)=O)C2C=CC=CC=2NC=1
|
|
| MCULE-5821471994 |
0.62 |
CC1C(NC([C@H](CC2C3C=CC=CC=3NC=2)N)=O)CCC1
|
|
| MCULE-9727661296 |
0.62 |
CC(NC(C(NC1C2C(OCCC2)C1)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-6928374739 |
0.62 |
CC(CN(C(CCC1C2C=CC=CC=2N(C)C=1)=O)CCC(=O)O)C
|
|
| MCULE-9278347468 |
0.62 |
O=C(OCC1=CC=CC=C1)NC(C(NCCC1C2=C(C=CC=C2)NC=1)=O)CC1C2=C(C=CC=C2)NC=1
|
|
| MCULE-3231210250 |
0.62 |
CC(C(=O)O)CNC(CCC1C2C=CC=CC=2N(C)C=1)=O
|
|
| MCULE-1617018996 |
0.62 |
CC(C1=CC=CC=C1)CNC([C@@H](NC(OCC1=CC=CC=C1)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-7756560566 |
0.62 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCN(C(=O)[C@@H]1CCCNC1)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)O
|
|
| MCULE-3760117424 |
0.62 |
ClC1=C(C(N[C@H](C(N2CCN(C3=CC=CC=C3)CC2)=O)CC2C3=C(C=CC=C3)NC=2)=O)C=CC=C1
|
|
| MCULE-5804467573 |
0.62 |
CCN(C(CCC1C2C=CC=CC=2N(C)C=1)=O)CCC(=O)O
|
|
| MCULE-5059335169 |
0.62 |
O=C(OCC1=CC=CC=C1)NC(C(NC1CC1)=O)CC1C2=C(C=CC=C2)NC=1
|
|
| MCULE-7068841446 |
0.62 |
N[C@H](C(NC1CCCCC1)=O)CC1C2C=CC=CC=2NC=1
|
|
| MCULE-3918547709 |
0.62 |
C12(CC3CC(CC(C3)C1)C2)C1C=CC(=CC=1)C(=O)NC(CC1C2C=CC=CC=2NC=1)C(NCCCOC)=O
|
|
| MCULE-3332182598 |
0.62 |
CC1CCN(C([C@H](CC2C3C=CC=CC=3NC=2)N)=O)CCC1
|
|
| MCULE-9541614269 |
0.62 |
CC(CC(N1CCN(C(C(NC(OCC2=CC=CC=C2)=O)CC2C3=C(C=CC=C3)NC=2)=O)CC1)=O)C
|
|
| MCULE-3398006520 |
0.62 |
CC(NC(C(NCC(NC1=C(Br)C=CC=C1)=O)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-6973474562 |
0.62 |
N1([C@@H]([C@H](CC1)NC(NC(C)C)=O)C(=O)N[C@@H](C(N)=O)CC1=CNC2=C1C=CC=C2)C(CC(C)(C)C)=O
|
|
| MCULE-3470930293 |
0.62 |
CN(C([C@H](CC1C2C=CC=CC=2NC=1)N)=O)C1CCCCC1
|
|
| MCULE-8347463408 |
0.62 |
CC(C(N1CCN(C(C(NC(OCC2=CC=CC=C2)=O)CC2C3=C(C=CC=C3)NC=2)=O)CC1)=O)C
|
|
| MCULE-4836741754 |
0.62 |
CC(C[C@H](N(C)C(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(C)C)CC1N=CNC=1)CC1C2C=CC=CC=2NC=1)C)C(C)C)C)CC1N=CNC=1)C(=O)N)C
|
|
| MCULE-2963494900 |
0.62 |
CC(NC(C(NCC(C1=CC=C(F)C=C1)N1CCOCC1)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-1333279229 |
0.62 |
CN1C2C=CC=CC=2C(CCC(NCC(C(=O)O)(C)C)=O)=C1
|
|
| MCULE-3999794086 |
0.62 |
NC([C@@H](CC1C2C=CC=CC=2NC=1)NC(=O)[C@@H]1N(C(=O)C2CCNCC2)CCN(C(=O)NC(C)C)C1)=O
|
|
| MCULE-1355199680 |
0.62 |
N1(CCN([C@@H](C1)C(=O)N[C@H](CC1C2C=CC=CC=2NC=1)C(N)=O)C(C1CCCCC1)=O)C(C1=CC=C(C=C1)N(C)C)=O
|
|
| MCULE-6246192343 |
0.62 |
COC(C(NC(C(NC(N)=O)CC1=CC=CC=C1)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-9286607094 |
0.62 |
CC1N(C([C@H](CC2C3C=CC=CC=3NC=2)N)=O)CCCC1
|
|
| MCULE-6663126443 |
0.62 |
CCOC(CC(NC(C(NC(C)=O)CC1C2=C(C=C(C=C2)F)NC=1)=O)C)=O
|
|
| MCULE-8273575757 |
0.62 |
CN(C([C@H](CC1C2C=CC=CC=2NC=1)N)=O)CC1CCCC1
|
|
| MCULE-6992823725 |
0.62 |
CC(C(=O)N)(CNC([C@H](CC1C2C=CC=CC=2NC=1)N)=O)C
|
|
| MCULE-3292811753 |
0.62 |
CN1C2C=CC=CC=2C(CCC(NC(C(=O)O)CC(F)F)=O)=C1
|
|
| MCULE-8746407735 |
0.62 |
CCCC1(CC1)CNC([C@H](CC1C2C=CC=CC=2NC=1)N)=O
|
|
| MCULE-6395927507 |
0.62 |
N1(CC2=CC=CC=C2C)C2=CC=CC=C2C(CCC(=O)NCC2CCCN2CC)=C1
|
|
| MCULE-8829737165 |
0.62 |
N[C@H](C(NCCC(=O)N)=O)CC1C2C=CC=CC=2NC=1
|
|
| MCULE-2265615554 |
0.62 |
CC(C(=O)O)CN(C(CCC1C2C=CC=CC=2N(C)C=1)=O)C
|
|
| MCULE-9125117116 |
0.62 |
Cl.N[C@H](C(NC1CCCC1)=O)CC1C2=C(C=CC=C2)NC=1
|
|
| MCULE-7252817440 |
0.62 |
CN(C(CCC1C2C=CC=C(C)C=2NC=1)=O)CC(N1CCC(C(=O)O)CC1)=O
|
|
| MCULE-4516805777 |
0.62 |
Cl.C1(C[C@H](N)C(=O)N2CCC(CC2)C)C2C=CC=CC=2NC=1
|
|
| MCULE-3338574835 |
0.62 |
CN1C2C=CC=CC=2C(CCC(NCCC(=O)O)=O)=C1
|
|
| MCULE-1180522191 |
0.62 |
CNCCC1CCN(C([C@H](CC2C3C=CC=CC=3NC=2)N)=O)CC1
|
|
| MCULE-7795345638 |
0.62 |
C1(C2C=CC=CC=2NC=1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CC1)C(=O)N[C@@H](C)C(O)=O
|
|
| MCULE-9004972879 |
0.62 |
CN1CCC(CCNC([C@H](CC2C3C=CC=CC=3NC=2)N)=O)CC1
|
|
| MCULE-4236873112 |
0.62 |
N[C@H](C(NCC1CCCC1)=O)CC1C2C=CC=CC=2NC=1
|
|
| MCULE-5399413020 |
0.62 |
Cl.C1(C[C@H](N)C(=O)N2CCC(CC2)C)C2C=CC=CC=2NC=1
|
|
| MCULE-3692765245 |
0.62 |
OC(C(NC(CCC=C)=O)CC1C2C=CC=CC=2NC=1)=O
|
|
| MCULE-8708864765 |
0.62 |
CCC1(CCC1)CNC([C@H](CC1C2C=CC=CC=2NC=1)N)=O
|
|
| MCULE-6563685870 |
0.62 |
CC1(CCN(C([C@H](CC2C3C=CC=CC=3NC=2)N)=O)CCC1)C
|
|
| MCULE-9281643794 |
0.62 |
C1(CC(=O)NC(C)C2CCCCC=2)C2C=CC=CC=2N(C)C=1
|
|
| MCULE-3871009312 |
0.62 |
CC1(CCCC1)CNC([C@H](CC1C2C=CC=CC=2NC=1)N)=O
|
|
| MCULE-4160721376 |
0.62 |
CN(C(CCC1C2C=CC=C(C)C=2NC=1)=O)CC(N1CC(C(=O)O)CCC1)=O
|
|
| MCULE-3931654671 |
0.62 |
CCC1CCN(C([C@H](CC2C3C=CC=CC=3NC=2)N)=O)CCC1
|
|
| MCULE-1833534761 |
0.62 |
C12C=CC=CC=1NC=C2C[C@H](N)C(=O)N[C@H](C(=O)O)CCC(=O)O
|
|
| MCULE-9810158706 |
0.62 |
CCC1CN(C([C@H](CC2C3C=CC=CC=3NC=2)N)=O)CCC1
|
|
| MCULE-9805882316 |
0.62 |
N1(CCN(CC1)C(CC(C1C=CC(Cl)=CC=1)C1=CN(C)C2=C1C=CC=C2)=O)CC1C=CC=CC=1
|
|
| MCULE-9848526872 |
0.62 |
C1(C2C=CC=CC=2NC=1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CC1)C(=O)N[C@H](C)C(O)=O
|
|
| MCULE-8322542540 |
0.62 |
CC(NC(C(NCCC1=NC=CC=C1)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-6884101165 |
0.62 |
CN(C(C1=CC=CC=C1)CNC(CCC1C2=C(C=CC=C2)NC=1)=O)C
|
|
| MCULE-7300748494 |
0.62 |
N1[C@@H](CC2C=CC(=CC=2)OC)C(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)CN(CC(=O)N[C@H](CC2C3C=CC=CC=3NC=2)C(=O)N[C@@H](CC(C)C)C1=O)CC1C=CC=NC=1
|
|
| MCULE-6954578757 |
0.62 |
CN(C(CCC1C2C=CC=CC=2N(C)C=1)=O)CCC(=O)O
|
|
| MCULE-5749974314 |
0.62 |
N12C[C@@H](C[C@H]1C(=O)N[C@H](C(C)C)CC[C@@H](C)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)NC(COC)=O
|
|
| MCULE-2749641043 |
0.62 |
CC(C1CCN(C([C@H](CC2C3C=CC=CC=3NC=2)N)=O)CCC1)C
|
|
| MCULE-8464230260 |
0.62 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CNCC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)C1C=CC=CC=1)O
|
|
| MCULE-1165558832 |
0.62 |
CCCNC(=O)[C@@H]1CC2=CN(C3C=CC=C([C@@H](N1)CC(C)C)C2=3)CC1C=NC=CC=1
|
|
| MCULE-2720287656 |
0.62 |
C1(CN2C=CC=N2)(CC1)C(=O)N1CCNC(=O)[C@H](CC2=CC=CC=C2)NC([C@H](C)N(C)C(=O)[C@H](CC2C3C=CC=CC=3NC=2)NC(=O)C1)=O
|
|
| MCULE-4617517749 |
0.62 |
C1(CC(NC(=O)OC(C)(C)C)C(=O)NC(C(C)C)C2C=CC(=CC=2)OC)C2C=CC=CC=2N(C)C=1
|
|
| MCULE-8664433494 |
0.62 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CN(C(CCC(C)C)=O)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)C1C=CC=CC=1)O
|
|
| MCULE-5540786902 |
0.62 |
C1(C[C@H](NC(=O)OC(C)(C)C)C(=O)NC(C(C)C)C2C=CC(=CC=2)OC)C2C=CC=CC=2N(C)C=1
|
|
| MCULE-4684957389 |
0.62 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CN(C(=O)C[C@H](C)C1C=CC=CC=1)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)C1C=CC=CC=1)O
|
|
| MCULE-3431369142 |
0.62 |
N12CCN(C[C@@H]1C(N[C@@H](CC1C3C=CC=CC=3NC=1)C2=O)=O)C(=O)NC1CCCCC1
|
|
| MCULE-2900621974 |
0.62 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CN(C(=O)C[C@@H](C)C1=CC=CC=C1)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)C1C=CC=CC=1)O
|
|
| MCULE-7922630454 |
0.62 |
Cl.C1(C[C@H](NC(=O)[C@@H]2CC3=CC=CC=C3CN2)C(=O)NC2CCCCC2)C2C=CC=CC=2NC=1
|
|
| MCULE-2402294115 |
0.62 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CN(C(=O)CC(C)C)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)C1C=CC=CC=1)O
|
|
| MCULE-2115858824 |
0.62 |
CNC([C@@H](NC(CC1NCCOC1)=O)CC1C2C=CC=CC=2NC=1)=O
|
|
| MCULE-3876407764 |
0.62 |
C1(C2C=CC=CC=2NC=1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CC1)C(=O)N[C@@H](C)C(=O)NC(C)C1C=CC=CC=1
|
|
| MCULE-1324882366 |
0.62 |
N1(CC(=O)N[C@H](CC2C3C=CC=CC=3NC=2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CC=C(C=C2)OC)C(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C1)C(=O)CCN1CCCC1=O
|
|
| MCULE-3072928063 |
0.62 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CN(C(C)=O)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)C1=CC=CC=C1)O
|
|
| MCULE-6094011087 |
0.62 |
N12C[C@H](C[C@H]1C(=O)N[C@@H](CC1C3C=CC=CC=3NC=1)C2=O)NC(=O)C1=CC=C2C(C=CC=C2)=C1
|
|
| MCULE-9475289682 |
0.62 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CN(C(CCC1=CC=CC=C1)=O)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)C1=CC=CC=C1)O
|
|
| MCULE-4475792370 |
0.62 |
Cl.C1(CC(NC(=O)C2CC3=CC=CC=C3CN2)C(=O)NC2CCCCC2)C2C=CC=CC=2NC=1
|
|
| MCULE-6447451692 |
0.62 |
CC(N1CCN(C(CC2C3=C(C=CC=C3)N(C)C=2)=O)CC1)CC(O)=O
|
|
| MCULE-1999401129 |
0.62 |
CC(NC(C(N1CCN(C(N2CCCCC2)=O)CC1)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-5959399704 |
0.62 |
COCC1CCN(C([C@H](CC2C3C=CC=CC=3NC=2)N)=O)CC1
|
|
| MCULE-3751033212 |
0.62 |
C1(C[C@@H](C(O)=O)NC(=O)C2CCN(CC2)C(=O)[C@@H](N)CC2=CC=CC=C2)C2C=CC=CC=2NC=1
|
|
| MCULE-3532905687 |
0.62 |
CN(C(C(NC(C)=O)CC1C2=C(C=CC=C2)NC=1)=O)CCCN1C=NC=C1
|
|
| MCULE-9768803366 |
0.62 |
COC(CC1C(=O)NCCN1C(CCC1C2=C(C=CC=C2)NC=1)=O)=O
|
|
| MCULE-7998894229 |
0.62 |
FC1=CC=C(C(NC(C(N2CCN(CC3=CC=NC=C3)CC2)=O)CC2C3=C(C=CC=C3)NC=2)=O)C=C1
|
|
| MCULE-8680640496 |
0.62 |
CC(C1=CC(C(F)(F)F)=CC=C1)NC(C(NC(C)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-2215357340 |
0.62 |
C1(C[C@H](NC(=O)OC(C)(C)C)C(=O)NC(C)C2C=CC=CC=2)C2C=CC=CC=2NC=1
|
|
| MCULE-5595855893 |
0.62 |
[Cl-].C1(C[C@H]([NH3+])C(=O)N2CCC(CC2)C(=O)N[C@@H](CC2=CC=CC=C2)C(O)=O)C2C=CC=CC=2NC=1
|
|
| MCULE-4112614924 |
0.62 |
O=C(N1CCC(CC2=CC=CC=C2)CC1)CN1C(=O)C(CC2C3=C(C=CC=C3)NC=2)NC1=O
|
|
| MCULE-8799665605 |
0.62 |
CC(C1C=CC=CC=1)(CC(NC(C(=O)O)CC1C2C=CC=CC=2NC=1)=O)C
|
|
| MCULE-1250019808 |
0.62 |
C1(CC(NC(=O)OC(C)(C)C)C(=O)NCC2C=CC=CC=2)C2=CC=CC=C2NC=1
|
|
| MCULE-3826181613 |
0.62 |
N1(CC2C=CC(=CC=2)C)C2=CC=CC=C2C(CCC(NCCN2CCCCC2C)=O)=C1
|
|
| MCULE-2870366540 |
0.62 |
CC(NC(C(NCCCN1C=NC=C1)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-8933087378 |
0.62 |
N[C@H](C(NCC1CC1)=O)CC1C2C=CC=CC=2NC=1
|
|
| MCULE-2398458046 |
0.62 |
C1(C[C@@H](C(NCCC2=CNC=N2)=O)NC(=O)OC(C)(C)C)C2C=CC=CC=2N(C)C=1
|
|
| MCULE-4307783587 |
0.62 |
CC1C(NC([C@H](CC2C3C=CC=CC=3NC=2)N)=O)C1
|
|
| MCULE-6211375459 |
0.62 |
C(C1CC1)NC(=O)[C@@H]1CC2=CN(C3C=CC=C([C@@H](N1)CC(C)C)C2=3)CC1C=NC=CC=1
|
|
| MCULE-5767544105 |
0.62 |
CC1(CN(C([C@H](CC2C3C=CC=CC=3NC=2)N)=O)CC1)C
|
|
| MCULE-8436182319 |
0.62 |
CC1N(CCC2CCCCC=2)C(C)=C(C(CN2C(=O)C(CC3C4=C(C=CC=C4)NC=3)NC2=O)=O)C=1
|
|
| MCULE-8728376022 |
0.62 |
Cl.C1(C[C@H](N)C(=O)NC2CC2)C2C=CC=CC=2NC=1
|
|
| MCULE-2193796042 |
0.62 |
N1C2C=CC=CC=2C(CCNC(=O)C=CC(O)=O)=C1
|
|
| MCULE-1977299725 |
0.62 |
CCCN(C([C@H](CC1C2C=CC=CC=2NC=1)N)=O)CC1CC1
|
|
| MCULE-9390331449 |
0.62 |
CC([C@@H](C(NCC(NCCC1C2C=CC=CC=2NC=1)=O)=O)N)C
|
|
| MCULE-9516691696 |
0.62 |
N[C@H](C(NC1CCC1)=O)CC1C2C=CC=CC=2NC=1
|
|
| MCULE-1598120941 |
0.62 |
CCN1C2C=CC=CC=2C(CC(N(CC(N2CCC(C(=O)O)CC2)=O)C)=O)=C1
|
|
| MCULE-8151755749 |
0.62 |
Cl.C1(C[C@H](N)C(NCCCC)=O)C2C=CC=CC=2NC=1
|
|
| MCULE-8665355711 |
0.62 |
C(C(=O)N(CC(C)C)CC(N(CC1C=CC(Cl)=CC=1)CCC1=CNC2=C1C=CC=C2)=O)CC1C=CC=CC=1
|
|
| MCULE-1978243935 |
0.62 |
N[C@H](C(N1CCCC1)=O)CC1C2C=CC=CC=2NC=1
|
|
| MCULE-9665150157 |
0.62 |
N1[C@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@@H](CC2C=CC=CC=2)C(=O)N(CC(=O)NCCC[C@@H](C1=O)NC(CCCC1C2C=CC=CC=2NC=1)=O)C
|
|
| MCULE-6531236236 |
0.62 |
CCN(C([C@H](CC1C2C=CC=CC=2NC=1)N)=O)CC1CC1
|
|
| MCULE-1144128585 |
0.62 |
C1(C(C2C=CC(=CC=2)C(C)(C)C)CC(=O)N2CCN(CC2)CC)C2=CC=CC=C2N(CC2=CC=C(C=C2)C)C=1
|
|
| MCULE-3025684235 |
0.62 |
CN(C([C@H](CC1C2C=CC=CC=2NC=1)N)=O)C1CCC1
|
|
| MCULE-1041371619 |
0.62 |
CC(C[C@@H](C(=O)O)NC(CNC(CCC1C2C=C(C=CC=2NC=1)C)=O)=O)C
|
|
| MCULE-7640820663 |
0.62 |
CC1C(C)CN(C([C@H](CC2C3C=CC=CC=3NC=2)N)=O)C1
|
|
| MCULE-5261638214 |
0.62 |
O=C(NC1(C#N)CCCCC1)CN1C(=O)C(CC2C3=C(C=CC=C3)NC=2)NC1=O
|
|
| MCULE-8657567645 |
0.62 |
CN(C([C@H](CC1C2C=CC=CC=2NC=1)N)=O)CC1CC1
|
|
| MCULE-5671629492 |
0.62 |
C1C(=CC=C(CNC(=O)[C@@H]2CC3=CN(C4C=CC=C([C@@H](N2)CC(C)C)C3=4)CC=C)C=1)OC
|
|
| MCULE-6977406476 |
0.62 |
C1(C[C@H](N)C(=O)N2CCCC2)C2C=CC=CC=2NC=1
|
|
| MCULE-1613464951 |
0.62 |
N[C@H](C(NC1C2CC(CC2)C1)=O)CC1C2C=CC=CC=2NC=1
|
|
| MCULE-6735553546 |
0.62 |
C1(C[C@H](N)C(NCCCC)=O)C2C=CC=CC=2NC=1.Cl
|
|
| MCULE-2973396009 |
0.62 |
N[C@H](C(N1CC2(CCCCC2)CC1)=O)CC1C2C=CC=CC=2NC=1
|
|
| MCULE-1134333035 |
0.62 |
Cl.C1(C[C@H](N)C(=O)NC2CC2)C2C=CC=CC=2NC=1
|
|
| MCULE-6235281740 |
0.62 |
N[C@H](C(N1CCC2(CCCCC2)CC1)=O)CC1C2C=CC=CC=2NC=1
|
|
| MCULE-4337248657 |
0.62 |
CC1CN(C([C@H](CC2C3C=CC=CC=3NC=2)N)=O)CC1
|
|
| MCULE-3430838829 |
0.62 |
N[C@H](C(NCC1C2CC(CC2)C1)=O)CC1C2C=CC=CC=2NC=1
|
|
| MCULE-8663057189 |
0.62 |
CCC(C(NCCC1C2=C(C=CC=C2)N(C)C=1)=O)=C
|
|
| MCULE-9481947113 |
0.62 |
N[C@H](C(N1CCC(C(F)(F)F)CC1)=O)CC1C2C=CC=CC=2NC=1
|
|
| MCULE-7962170971 |
0.62 |
N12C[C@@H](C[C@H]1C(=O)NCCCC[C@H](NC(COC)=O)C(N[C@H](C)C(=O)N[C@@H](CC1C3C=CC=CC=3NC=1)C(=O)N[C@H](CC(C)C)C2=O)=O)O
|
|
| MCULE-6333141105 |
0.62 |
CC(C1C2CC(CC2)C1)NC([C@H](CC1C2C=CC=CC=2NC=1)N)=O
|
|
| MCULE-8261983729 |
0.62 |
CC(C(N1CC=C(C2C3=C(C=CC=C3)NC=2)CC1)=O)NC(CC1=C2C(C=CC=C2)=CC=C1)=O
|
|
| MCULE-3546521423 |
0.62 |
CN(C(CC1C2=C(C=CC=C2)N(C)C=1)=O)CC(N1CCCC1)=O
|
|
| MCULE-5848222915 |
0.62 |
C(C1CC1)NC(=O)[C@@H]1CC2=CNC3C=CC=C([C@@H](N1)CC(C)C)C=32
|
|
| MCULE-8772175911 |
0.62 |
CC(NC(C(N1CC2=C(C=CC=C2)CC1)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-2241255303 |
0.62 |
N1(C(=O)C2=CC=C(C=C2)N(C)C)CCN([C@@H](C1)C(=O)N[C@H](CC1C2C=CC=CC=2NC=1)C(N)=O)C(C1=CC=C(N(C)C)C=C1)=O
|
|
| MCULE-8534942258 |
0.62 |
N1(CCN(CC1)C(CC(C1=CC=CC(=C1)C(F)(F)F)C1C2C=CC=CC=2N(C=1)C)=O)C(C1C=CC=CC=1)C1C=CC=CC=1
|
|
| MCULE-6055229260 |
0.62 |
Cl.C1(C[C@H](NC(=O)[C@@H]2CC3=CC=CC=C3CN2)C(=O)NC(C)C2=CC=CC=C2)C2C=CC=CC=2NC=1
|
|
| MCULE-5231696285 |
0.62 |
CC(NC(C(N1CCN(C2=CC(C(F)(F)F)=CC=C2)CC1)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-5538261166 |
0.62 |
C1CCC1NC(=O)[C@@H]1CC2=CNC3C=CC=C([C@@H](N1)CC(C)C)C=32
|
|
| MCULE-9952401660 |
0.62 |
N12C[C@@H](C[C@H]1C(=O)N[C@H](C(C)C)CC[C@@H](C)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)NC(C1CCOCC1)=O
|
|
| MCULE-1874803057 |
0.62 |
C1CCCN1C(=O)[C@@H]1CC2=CNC3C=CC=C([C@@H](N1)CC(C)C)C=32
|
|
| MCULE-6510531235 |
0.62 |
N1([C@@H](C[C@@H](C1)NC(NCC=C)=O)C(=O)N[C@@H](C(N)=O)CC1=CNC2=C1C=CC=C2)C(C1CC1)=O
|
|
| MCULE-7945059583 |
0.62 |
CC(C1C2CC(CC2)C1)NC(CN1C(=O)C(CC2C3=C(C=CC=C3)NC=2)NC1=O)=O
|
|
| MCULE-7825529147 |
0.62 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CN(C(=O)CN1CCCCCC1)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)C1C=CC=CC=1)O
|
|
| MCULE-4226628146 |
0.62 |
CCN1C2C=CC=CC=2C(CC(NCC(C(=O)O)CC2C=CC=CC=2)=O)=C1
|
|
| MCULE-3388162534 |
0.62 |
N1(CC(C)C)CC(=O)N2C(CCN(CC2)C(=O)CCC2C3C=CC=CC=3NC=2)C1=O
|
|
| MCULE-7148649464 |
0.62 |
C(C(C)=CC)(N1CCC(CC1)C1=CN(CC2C=CC(C(F)(F)F)=CC=2)C2C1=CC=CC=2)=O
|
|
| MCULE-7185452646 |
0.62 |
CCCC(N1CCN(C(C(C2C3=C(C=CC=C3)NC=2)=O)C)CCC1)=O
|
|
| MCULE-3553547479 |
0.62 |
CCCCN1C(=O)C(CC2C3=C(C=CC=C3)NC=2)NC1=O
|
|
| MCULE-7488221020 |
0.62 |
CCC1C=CC(CCC(NC(C(=O)O)CC2C3C=CC=CC=3NC=2)=O)=CC=1
|
|
| MCULE-9796487119 |
0.62 |
COCCC(CNC([C@H](CC1C2C=CC=CC=2NC=1)N)=O)(C)C
|
|
| MCULE-6854913238 |
0.62 |
C1(=CC=CC=C1)CCNC(CC(C1C=CC=C(C)C=1)C1C2C=CC=CC=2N(C=1)CC)=O
|
|
| MCULE-9836557897 |
0.62 |
CC(C(NCC1=CC=CC=C1)=O)NC(CCC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-8650961622 |
0.62 |
COC(CNC([C@H](CC1C2C=CC=CC=2NC=1)N)=O)=O
|
|
| MolPort-004-968-193 |
0.62 |
Cl.N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N1CCCC1
|
|
| MolPort-046-567-603 |
0.62 |
CCCC(=O)C1=CN(CC(=O)N2C[C@H](CC)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C2)C2=CC=CC=C12
|
|
| MolPort-046-531-869 |
0.62 |
C[C@H](NC(=O)C(CC1=CNC2=CC=CC=C12)NC(N)=O)C(=O)OC(C)(C)C
|
|
| MolPort-044-452-723 |
0.62 |
CC(=O)NC(CC1=CNC2=CC(F)=CC=C12)C(=O)N1CC(O)(C1)C1CC1
|
|
| MolPort-045-934-546 |
0.62 |
CC(C)C1=CC=C(CC(=O)N2CCNC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](CC3=CNC4=CC=CC=C34)NC(=O)C2)C=C1
|
|
| MolPort-009-512-676 |
0.62 |
CN(C)C(CNC(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)OCC1=CC=CC=C1)C1=CC=CC=C1
|
|
| MolPort-045-943-817 |
0.62 |
NC(=O)CN1CCC(CC1)C(=O)N1CCNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC(=O)C1
|
|
| MolPort-003-296-453 |
0.62 |
COC1=C(CNC(=O)[C@H](CC2=CNC3=CC=CC=C23)NC(=O)C2=C(Cl)C=CC=C2)C=CC=C1
|
|
| MolPort-046-569-578 |
0.62 |
COC1=CC=C(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC3=CNC4=CC=CC=C34)NC(=O)CN(C[C@@H](NC(=O)[C@@H](C)NC2=O)C(C)C)C(=O)C2=CC(O)=CC=C2)C=C1
|
|
| MolPort-001-971-335 |
0.62 |
ClCCNC(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)OCC1=CC=CC=C1
|
|
| MolPort-045-915-852 |
0.62 |
O[C@@H]1C[C@@H]2N(C1)C(=O)[C@@H](CC1=CNC3=CC=CC=C13)NC(=O)CN(CCNC(=O)[C@H](CC1=CC=CC=C1)NC2=O)C(=O)C1CCNCC1
|
|
| MolPort-002-526-441 |
0.62 |
CN(CC(O)=O)C(=O)C1CCN(CC1)C(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)OC(C)(C)C
|
|
| MolPort-005-538-680 |
0.62 |
CC(N1CCN(CC1)C(=O)C1CC1)C(=O)C1=CNC2=CC=CC=C12
|
|
| MolPort-039-194-236 |
0.62 |
CN1C=C(CCC(=O)N2CCCC3=C[C@H]4C[C@@H](CN5CCCC[C@H]45)[C@H]23)C2=CC=CC=C12
|
|
| MolPort-002-523-032 |
0.62 |
CC(C)(C)OC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N1CCC(CC1)C(=O)NCC(O)=O
|
|
| MolPort-045-932-373 |
0.62 |
CN(C)C(=O)CCC(=O)N1CCNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC(=O)C1
|
|
| MolPort-039-194-809 |
0.62 |
CN1C=C(C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCNC2=NC=CC=N2)C2=CC=CC=C12
|
|
| MolPort-039-196-552 |
0.62 |
CN1C=C(C[C@H](NC(=O)OC(C)(C)C)C(=O)N2CCN(CCC3=NC=CC=C3)CC2)C2=CC=CC=C12
|
|
| MolPort-042-665-536 |
0.62 |
CN1C=C(CC(NC(=O)OC(C)(C)C)C(=O)N2CCN(CCC3=NC=CC=C3)CC2)C2=CC=CC=C12
|
|
| MolPort-001-928-039 |
0.62 |
COC(=O)C(NC(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(C)C)NC(=O)OC(C)(C)C)C(C)C
|
|
| MolPort-007-592-346 |
0.62 |
CC(C)CCNC(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)C1=CC=C(C=C1)C12CC3CC(CC(C3)C1)C2
|
|
| MolPort-001-755-788 |
0.62 |
CC(C)NC(=O)N1CCN([C@H](C1)C(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(N)=O)C(=O)NC(C)C
|
|
| MolPort-038-953-708 |
0.62 |
CC(CNC(=O)CCC1=CNC2=CC=CC=C12)N(C)C(=O)CCC1=CNC2=CC=CC=C12
|
|
| MolPort-028-589-881 |
0.62 |
CN(C)C(=O)CN1C[C@@H]2CC[C@H](C1)N(C2)C(=O)CCC1=CNC2=CC=CC=C12
|
|
| MolPort-039-057-634 |
0.62 |
COC1=CC=C(CCNC(=O)[C@H](CC2=CN(C)C3=CC=CC=C23)NC(=O)OC(C)(C)C)C=C1OC
|
|
| MolPort-046-581-073 |
0.62 |
CC(C)C[C@H]1NC(=O)[C@H](CC2=CNC3=CC=CC=C23)NC(=O)[C@@H](C)NC(=O)[C@H](CCCCNC(=O)[C@@H]2C[C@@H](O)CN2C1=O)NC(=O)C1=CC=CC=C1
|
|
| MolPort-046-567-881 |
0.62 |
CC(C)[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](C)NC(=O)CN(C[C@H](CC2=CC=CC=C2)NC1=O)C(=O)CC1=CNC2=CC=CC=C12
|
|
| MolPort-045-951-268 |
0.62 |
CSCC[C@H]1NC(=O)[C@H](CC2=CNC3=CC=CC=C23)NC1=O
|
|
| MolPort-046-581-797 |
0.62 |
CC(C)C[C@H]1NC(=O)[C@H](CC2=CNC3=CC=CC=C23)NC(=O)[C@@H](C)NC(=O)[C@H](CCCCNC(=O)[C@@H]2C[C@@H](O)CN2C1=O)NC(=O)COC(C)C
|
|
| MolPort-045-920-354 |
0.62 |
CSCC[C@@H]1NC(=O)[C@H](CC2=CNC3=CC=CC=C23)NC1=O
|
|
| MolPort-006-470-169 |
0.62 |
CC1=CC=CC(=C1)C(CC(=O)NCCN1CCCCC1)C1=CN(CC2=CC=C(F)C=C2)C2=CC=CC=C12
|
|
| MolPort-019-934-789 |
0.62 |
CC(C)C[C@@H]1N[C@@H](CC2=CN(CC3CC3)C3=CC=CC1=C23)C(=O)NCC#C
|
|
| MolPort-004-174-169 |
0.62 |
CC1=CC(C(=O)CN2C(=O)NC(CC3=CNC4=CC=CC=C34)C2=O)=C(C)N1CC=C
|
|
| MolPort-006-419-506 |
0.62 |
CC(C)NC(=O)N1CCN(CC1C)C(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)NC12CC3CC(CC(C3)C1)C2
|
|
| MolPort-005-380-275 |
0.62 |
OC(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)NCC(=O)N(CC=C)CC=C
|
|
| MolPort-004-181-327 |
0.62 |
ClC1=CC=CC=C1C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N1CCN(CC1)C1=CC=CC=C1
|
|
| MolPort-004-968-194 |
0.62 |
Cl.CC1CCN(CC1)C(=O)[C@@H](N)CC1=CNC2=CC=CC=C12
|
|
| MolPort-005-953-618 |
0.62 |
CC(C)NC(=O)N1CCN([C@H](C1)C(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(N)=O)C(=O)C1CCNCC1
|
|
| MolPort-044-561-172 |
0.62 |
NC(=N)NCCC[C@@H]1NC(=O)[C@H](CC2=CNC3=CC=CC=C23)NC(=O)[C@@H](CC2CCCCC2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC1=O)NC(=O)CCC1=CC=CC=C1
|
|
| MolPort-046-634-825 |
0.62 |
CCOC(=O)CC(C)NC(=O)C(CC1=CNC2=CC(F)=CC=C12)NC(C)=O
|
|
| MolPort-001-749-277 |
0.62 |
CC(C)NC(=O)N[C@H]1CCN([C@@H]1C(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(N)=O)C(=O)CC(C)(C)C
|
|
| MolPort-004-568-883 |
0.62 |
O=C(NC(CC1=CNC2=CC=CC=C12)C(=O)NCCC1=CNC2=CC=CC=C12)OCC1=CC=CC=C1
|
|
| MolPort-009-481-198 |
0.62 |
CC(C)CC(=O)N1CCN(CC1)C(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)OCC1=CC=CC=C1
|
|
| MolPort-009-511-048 |
0.62 |
O=C(NC(CC1=CNC2=CC=CC=C12)C(=O)NC1CC1)OCC1=CC=CC=C1
|
|
| MolPort-009-601-312 |
0.62 |
COC(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)C(CC1=CC=CC=C1)NC(N)=O
|
|
| MolPort-027-648-373 |
0.62 |
Cl.N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)NC1CCCC1
|
|
| MolPort-007-592-395 |
0.62 |
COCCCNC(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)C1=CC=C(C=C1)C12CC3CC(CC(C3)C1)C2
|
|
| MolPort-009-601-144 |
0.62 |
CC(C)C(=O)N1CCN(CC1)C(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)OCC1=CC=CC=C1
|
|
| MolPort-039-687-919 |
0.62 |
CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)NC1CC2OCCCC12
|
|
| MolPort-009-510-742 |
0.62 |
CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)NCC(N1CCOCC1)C1=CC=C(F)C=C1
|
|
| MolPort-004-509-441 |
0.62 |
CC(CNC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)OCC1=CC=CC=C1)C1=CC=CC=C1
|
|
| MolPort-046-567-506 |
0.62 |
COCC(=O)N[C@@H]1C[C@@H]2N(C1)C(=O)[C@@H](CC1=CNC3=CC=CC=C13)NC(=O)C[C@H](C)CC[C@H](NC2=O)C(C)C
|
|
| MolPort-046-568-247 |
0.62 |
C[C@@H]1NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC(=O)CNC[C@H](NC1=O)C1=CC=CC=C1
|
|
| MolPort-000-777-889 |
0.62 |
C[C@H](NC(=O)C1CCN(CC1)C(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)OC(C)(C)C)C(=O)NC(C)C1=CC=CC=C1
|
|
| MolPort-046-117-957 |
0.62 |
CC(CC(O)=O)N1CCN(CC1)C(=O)CC1=CN(C)C2=CC=CC=C12
|
|
| MolPort-046-567-708 |
0.62 |
C[C@@H](CC(=O)N1C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC(=O)C1)C1=CC=CC=C1)C1=CC=CC=C1
|
|
| MolPort-044-707-223 |
0.62 |
CC(NC(=O)CC1=CN(C)C2=CC=CC=C12)C1=CCCCC1
|
|
| MolPort-044-561-453 |
0.62 |
N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](CCC(O)=O)C(O)=O
|
|
| MolPort-046-567-476 |
0.62 |
CC(C)CCC(=O)N1C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC(=O)C1)C1=CC=CC=C1
|
|
| MolPort-046-567-020 |
0.62 |
C[C@@H]1NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC(=O)CN(C[C@H](NC1=O)C1=CC=CC=C1)C(C)=O
|
|
| MolPort-046-569-268 |
0.62 |
CC(C)CC(=O)N1C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC(=O)C1)C1=CC=CC=C1
|
|
| MolPort-006-489-389 |
0.62 |
CN1C=C(C(CC(=O)N2CCN(CC3=CC=CC=C3)CC2)C2=CC=C(Cl)C=C2)C2=CC=CC=C12
|
|
| MolPort-046-573-199 |
0.62 |
C[C@@H]1NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC(=O)CN(C[C@H](NC1=O)C1=CC=CC=C1)C(=O)CCC1=CC=CC=C1
|
|
| MolPort-004-077-666 |
0.62 |
CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)NCCC1=CC=CC=N1
|
|
| MolPort-002-523-755 |
0.62 |
CC(O)[C@H](NC(=O)C1CCN(CC1)C(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)OC(C)(C)C)C(O)=O
|
|
| MolPort-046-567-094 |
0.62 |
C[C@H](CC(=O)N1C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC(=O)C1)C1=CC=CC=C1)C1=CC=CC=C1
|
|
| MolPort-046-568-922 |
0.62 |
COC1=CC=C(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC3=CNC4=CC=CC=C34)NC(=O)CN(CC3=CC=CN=C3)C[C@@H](NC(=O)[C@@H](C)NC2=O)C(C)C)C=C1
|
|
| MolPort-005-829-063 |
0.62 |
CC1=CC(C(=O)CN2C(=O)NC(CC3=CNC4=CC=CC=C34)C2=O)=C(C)N1CCC1=CCCCC1
|
|
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0.61 |
COC1=CC=C(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC3=CNC4=CC=CC=C34)NC(=O)CN(C[C@@H](NC(=O)[C@@H](C)NC2=O)C(C)C)C(=O)C2=CN=CC=C2)C=C1
|
|
| MolPort-006-485-900 |
0.61 |
CCN1C=C(C(CC(=O)N2CCN(CC3=CC=CC=C3)CC2)C2=CC=C(C)C=C2)C2=CC=CC=C12
|
|
| MolPort-046-569-219 |
0.61 |
C[C@@H]1NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC(=O)CN(C[C@H](NC1=O)C1=CC=CC=C1)C(=O)C1=CC=CC=C1
|
|
| MolPort-045-918-301 |
0.61 |
NCC1=CC=C(C=C1)C(=O)N1CCNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC(=O)C1
|
|
| MolPort-006-485-893 |
0.61 |
CCN1C=C(C(CC(=O)N2CCN(CC2)C(C2=CC=CC=C2)C2=CC=CC=C2)C2=CC=C(C)C=C2)C2=CC=CC=C12
|
|
| MolPort-046-568-021 |
0.61 |
C[C@@H]1NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC(=O)CN(C[C@H](NC1=O)C1=CC=CC=C1)C(=O)CCC1(C)CC1
|
|
| MolPort-046-569-466 |
0.61 |
C[C@@H]1NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC(=O)CN(C[C@H](NC1=O)C1=CC=CC=C1)C(=O)C1CCCC1
|
|
| MolPort-002-535-969 |
0.61 |
NCC(=O)NC[C@H](CC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=O)C1=CC=C(Cl)C=C1
|
|
| MolPort-000-830-033 |
0.61 |
Cl.NCC(=O)NC[C@H](CC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=O)C1=CC=C(Cl)C=C1
|
|
| MolPort-009-092-162 |
0.61 |
FC(F)(F)C1=CC=CC(CNC(=O)[C@H](CC2=CNC3=CC=CC=C23)NC(=O)C2=CC=CC=C2Cl)=C1
|
|
| MolPort-009-276-633 |
0.61 |
CN(C)S(=O)(=O)N1CCN(CC1)C(=O)C(CC1=CNC2=CC=CC=C12)NC(C)=O
|
|
| MolPort-001-842-650 |
0.61 |
COC(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)CN1CCCCC1
|
|
| MolPort-002-985-149 |
0.61 |
CC1CCC(CC1)C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)NCCC1=CC=C(C=C1)S(N)(=O)=O
|
|
| MolPort-019-939-172 |
0.61 |
CC(C)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC1=CC=C(O)C=C1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)[C@@H](N)CC1=CNC2=CC=CC=C12)[C@H](C)O)C(N)=O
|
|
| MolPort-046-060-283 |
0.61 |
CC(C)CN1CC(O)CN(CC1=O)C(=O)CCC1=CNC2=CC=CC=C12
|
|
| MolPort-002-526-116 |
0.61 |
CC(C)(C)OC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N1CCC(CC1)C(=O)NCC(=O)NC(=O)CO
|
|
| MolPort-023-276-546 |
0.61 |
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)CC1=CNC2=CC=CC=C12)[C@@H](C)O)C(N)=O
|
|
| MolPort-002-018-196 |
0.61 |
CCN1C=C(C2CC(=O)NC2=O)C2=CC=CC=C12
|
|
| MolPort-020-204-174 |
0.61 |
COC1=CC=CC(=C1)C(=O)N1CCN2[C@H](C1)C(=O)N[C@@H](CC1=CNC3=CC=CC=C13)C2=O
|
|
| MolPort-007-740-385 |
0.61 |
CN1CCN(CCCNC(=O)CCC2=CN(CC3=CC=C(C)C=C3)C3=CC=CC=C23)CC1
|
|
| MolPort-005-953-615 |
0.61 |
NC(=O)[C@@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@H]1CN(CCN1C(=O)C1CCNCC1)C(=O)C1=CC=CC(F)=C1
|
|
| MolPort-046-570-009 |
0.61 |
CC(C)[C@@H]1CC[C@@H](C)CC(=O)N[C@H](CC2=CNC3=CC=CC=C23)C(=O)N2C[C@@H](C[C@H]2C(=O)N1)NC(=O)C1=CC=NC=C1
|
|
| MolPort-005-535-277 |
0.61 |
O=C(CN1C(=O)NC(CC2=CNC3=CC=CC=C23)C1=O)C1=CC=C2CCCCC2=C1
|
|
| MolPort-045-915-348 |
0.61 |
NCC1=CC=CC(=C1)C(=O)N1CCNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC(=O)C1
|
|
| MolPort-019-934-796 |
0.61 |
CC(C)C[C@@H]1N[C@@H](CC2=CN(CC3=CC=CN=C3)C3=CC=CC1=C23)C(=O)NCC1=CC=CC=C1
|
|
| MolPort-046-578-608 |
0.61 |
COC1=CC=C(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC3=CNC4=CC=CC=C34)NC(=O)CN(C[C@@H](NC(=O)[C@@H](C)NC2=O)C(C)C)C(=O)[C@H]2CCCO2)C=C1
|
|
| MolPort-006-449-914 |
0.61 |
FC1=CC=C(CN2C=C(C(CC(=O)NCCN3CCCC3)C3=CC=C(F)C=C3)C3=CC=CC=C23)C=C1
|
|
| MolPort-020-128-256 |
0.61 |
CN(C)CC1CCCCN1C(=O)CCC1=CNC2=CC=CC=C12
|
|
| MolPort-019-934-821 |
0.61 |
CC(C)C[C@@H]1N[C@@H](CC2=CN(CC3=CC=NC=C3)C3=CC=CC1=C23)C(=O)NCC#C
|
|
| MolPort-002-528-303 |
0.61 |
CC(C)[C@H](N)C(=O)N1CCC(CC1)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=O
|
|
| MolPort-046-567-366 |
0.61 |
COC1=CC=C(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC3=CNC4=CC=CC=C34)NC(=O)CN(C[C@@H](NC(=O)[C@@H](C)NC2=O)C(C)C)C(=O)[C@@H]2CCCO2)C=C1
|
|
| MolPort-002-527-186 |
0.61 |
NCC(=O)N1CCC(CC1)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=O
|
|
| MolPort-004-052-346 |
0.61 |
CN1C(C)=CC(C(=O)CN2C(=O)NC(CC3=CNC4=CC=CC=C34)C2=O)=C1C
|
|
| MolPort-009-400-962 |
0.61 |
CC(C)CN1CCOC(CNC(=O)C(CC2=CNC3=CC=CC=C23)NC(C)=O)C1
|
|
| MolPort-002-523-113 |
0.61 |
NCC(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O
|
|
| MolPort-009-073-272 |
0.61 |
CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)NC1CCC2(CC1)OCCO2
|
|
| MolPort-016-731-089 |
0.61 |
CC(C)(C)CC(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O
|
|
| MolPort-006-114-078 |
0.61 |
NCC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=O
|
|
| MolPort-004-292-702 |
0.61 |
CC(C)CC(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O
|
|
| MolPort-009-020-386 |
0.61 |
COCC(C)NC(=O)CN1C(=O)NC(CC2=CNC3=CC=CC=C23)C1=O
|
|
| MolPort-005-679-804 |
0.61 |
ClC1=CC=CC=C1C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)N1CCN(CC1)C1=CC=NC=C1
|
|
| MolPort-046-629-667 |
0.61 |
CCSCCCNC(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)C1=CC=CC=C1Cl
|
|
| MolPort-033-436-534 |
0.61 |
NCC(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(O)=O
|
|
| MolPort-020-206-318 |
0.61 |
CC1=C(CN[C@H]2C[C@@H]3N(C2)C(=O)[C@H](CC2=CNC4=CC=CC=C24)NC3=O)C=CC=C1
|
|
| MolPort-009-209-193 |
0.61 |
CCN1C(=O)NC(CC2=CNC3=CC=CC=C23)C1=O
|
|
| MolPort-000-764-810 |
0.61 |
CC(C)(C)OC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N1CCC(CC1)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=O
|
|
| MolPort-009-236-000 |
0.61 |
CCCN1C(C)=CC(C(=O)CN2C(=O)NC(CC3=CNC4=CC=CC=C34)C2=O)=C1C
|
|
| MolPort-030-012-543 |
0.61 |
CN1C=C(CCC(=O)N2CCCCC2C(O)=O)C2=CC=CC=C12
|
|
| MolPort-046-569-400 |
0.61 |
COC1=CC=C(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC3=CNC4=CC=CC=C34)NC(=O)CN(C[C@@H](NC(=O)[C@@H](C)NC2=O)C(C)C)C(=O)COCC(N)=O)C=C1
|
|
| MolPort-028-821-960 |
0.61 |
CC(=O)N1CCCC1C(=O)N1CCC(=CC1)C1=CNC2=CC=CC=C12
|
|
| MolPort-046-784-660 |
0.61 |
CN1CC(=O)N(C)[C@@H]2CN(CC[C@@H]2C1=O)C(=O)CCC1=CNC2=CC=CC=C12
|
|
| MolPort-005-541-857 |
0.61 |
CCN1C(C)=CC(C(=O)CN2C(=O)NC(CC3=CNC4=CC=CC=C34)C2=O)=C1C
|
|
| MolPort-002-530-960 |
0.61 |
COC1=C(CNC(=O)[C@H](CC2=CNC3=CC=CC=C23)NC(=O)[C@@H]2CC3=C(CN2)C=CC=C3)C=CC=C1
|
|
| MolPort-046-567-926 |
0.61 |
C[C@@H]1NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC(=O)CN(C[C@H](NC1=O)C1=CC=CC=C1)C(=O)CCC1=CC=NC=C1
|
|
| MolPort-005-786-978 |
0.61 |
CC(C)N1C(C)=CC(C(=O)CN2C(=O)NC(CC3=CNC4=CC=CC=C34)C2=O)=C1C
|
|
| MolPort-029-913-222 |
0.61 |
CN1C=C(CCC(=O)N2CCCC[C@@H]2C(O)=O)C2=CC=CC=C12
|
|
| MolPort-046-576-426 |
0.61 |
CC(C)C[C@H]1NC(=O)[C@H](CC2=CNC3=CC=CC=C23)NC(=O)[C@@H](C)NC(=O)[C@H](CCCCNC(=O)[C@@H]2C[C@@H](O)CN2C1=O)NC(=O)CC1=CC=CN=C1
|
|
| MolPort-046-568-846 |
0.61 |
C[C@@H]1NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC(=O)CN(C[C@H](NC1=O)C1=CC=CC=C1)C(=O)CCC1=CC=C(C)C=C1
|
|
| MolPort-006-637-515 |
0.61 |
CC(C)=CC(=O)N1CCC(CC1)C1=CN(CC2=CC=C(C=C2)C(F)(F)F)C2=CC=CC=C12
|
|
| MolPort-046-683-513 |
0.61 |
CC(C)[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(O)=O
|
|
| MolPort-046-567-261 |
0.61 |
C[C@@H]1NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC(=O)CN(C[C@H](NC1=O)C1=CC=CC=C1)C(=O)[C@H]1CCC(=O)N1
|
|
| MolPort-001-755-768 |
0.61 |
NC(=O)[C@@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@H]1CN(CCN1C(=O)C1CCCCC1)C(=O)C1=CC(F)=CC=C1
|
|
| MolPort-046-570-733 |
0.61 |
C[C@@H]1NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC(=O)CN(C[C@H](NC1=O)C1=CC=CC=C1)C(=O)CN1CCCC1=O
|
|
| MolPort-023-276-817 |
0.61 |
C[C@@H](OCC1=CC=CC=C1)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CCCCCCNC1=O
|
|
| MolPort-046-567-066 |
0.61 |
COC1=CC=C(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC3=CNC4=CC=CC=C34)NC(=O)CN(C[C@@H](NC(=O)[C@@H](C)NC2=O)C(C)C)C(=O)C2=CNC=C2)C=C1
|
|
| MCULE-5470405559 |
0.61 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1C=CC=CC=1)C(=O)NCCN(C(=O)[C@H]1CCCO1)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)O
|
|
| MCULE-6917161422 |
0.61 |
N12C[C@@H](C[C@H]1C(=O)NCCCC[C@H](NC(C1=CC=NC=C1)=O)C(N[C@H](C)C(=O)N[C@@H](CC1C3C=CC=CC=3NC=1)C(=O)N[C@H](CC(C)C)C2=O)=O)O
|
|
| MCULE-3336028693 |
0.61 |
C1=CC=CC=C1CNC(=O)[C@@H]1CC2=CN(C3C=CC=C([C@@H](N1)CC(C)C)C2=3)CC#CC
|
|
| MCULE-9357682579 |
0.61 |
CC(C(N1CC=C(C2C3=C(C=CC=C3)NC=2)CC1)=O)NC(C1=CC(C)=CC=C1)=O
|
|
| MCULE-4742230171 |
0.61 |
N[C@H](C(N[C@@H]1[C@@H](O)CCCC1)=O)CC1C2C=CC=CC=2NC=1
|
|
| MCULE-4044932118 |
0.61 |
N[C@H](C(N[C@H]1[C@H](O)CCCC1)=O)CC1C2C=CC=CC=2NC=1
|
|
| MCULE-2252608282 |
0.61 |
N1(CC)C2=CC=CC=C2C(CCC(NCCN2CCOCC2)=O)=C1
|
|
| MCULE-1083428981 |
0.61 |
O=C(N(C1CCCCC=1)C1CC1)CN1C(=O)C(CC2C3=C(C=CC=C3)NC=2)NC1=O
|
|
| MCULE-1103567246 |
0.61 |
C1(C(C2=CC=C(C=C2)C(F)(F)F)CC(=O)N2CCN(CC2)CC)C2C=CC=CC=2N(CC2=CC=CC=C2)C=1
|
|
| MCULE-1449428357 |
0.61 |
C1(C(C2C=CC(=CC=2)C(F)(F)F)CC(NCCN2CCCC2)=O)C2C=CC=CC=2N(CC2=CC=CC=C2)C=1
|
|
| MCULE-9410479838 |
0.61 |
N1(CC2C(=CC=CC=2)C1=O)C(CC1C=CC=CC=1)C(NCCC1C2C=CC=CC=2NC=1)=O
|
|
| MCULE-1192105081 |
0.61 |
C1(CC(NC(C)=O)C(=O)NCC2C=CC=CC=2F)C2C=CC=CC=2NC=1
|
|
| MCULE-3997242731 |
0.61 |
C1C=C2NC=C(C[C@@H](NC(C(NC(OC(C)(C)C)=O)(C)C)=O)C(O)=O)C2=CC=1
|
|
| MCULE-7585906424 |
0.61 |
CC1CN(C(CNC(NC(C(O)=O)CC2C3=C(C=CC=C3)NC=2)=O)=O)CC(C)C1
|
|
| MCULE-5295754716 |
0.61 |
CN(C(C(NC(C)=O)CC1C2=C(C=CC=C2)NC=1)=O)CC(NC1=CC(F)=CC=C1)=O
|
|
| MCULE-6044628228 |
0.61 |
C1C=CC2C(C[C@H](NC(=O)C(C)(C)NC(OC(C)(C)C)=O)C(O)=O)=CNC=2C=1
|
|
| MCULE-9892983481 |
0.61 |
O=C([C@@H](CC1C2C=CC=CC=2NC=1)NC(=O)C(C)(NC(=O)OC(C)(C)C)C)O
|
|
| MCULE-5770032049 |
0.61 |
Cl.C1(C[C@H](N)C(=O)NC(C)C)C2C=CC=CC=2NC=1
|
|
| MCULE-4216001998 |
0.61 |
N1(C)C2=CC=CC=C2C(CCC(=O)NC2CC2)=C1
|
|
| MCULE-1841557202 |
0.61 |
C(F)(F)(F)C(=O)O.C(N[C@@H](CO)C(N1CCC[C@H]1C(N[C@@H](CC1C2C(=CC=CC=2)NC=1)C(N[C@@H]([C@H](O)C)C(N[C@@H](CC(N)=O)C(N[C@@H](CC1=CC=CC=C1)C(N)=O)=O)=O)=O)=O)=O)([C@H](CC1C=CC(O)=CC=1)N)=O
|
|
| MCULE-5860985141 |
0.61 |
C1(=O)[C@H](CC2C3C=CC=CC=3NC=2)NC(=O)[C@@H](N)CC2C=CC(=CC=2)OCCNC(=O)[C@H](C(C)C)NC(=O)CN1CCOC
|
|
| MCULE-9066165671 |
0.61 |
N1(C(C)C)C2C=CC=CC=2C(C[C@@H](C(NCCC2C=CC=CN=2)=O)NC(=O)OC(C)(C)C)=C1
|
|
| MCULE-9356110187 |
0.61 |
Cl.C1(C[C@H](N)C(=O)NC(C)C)C2C=CC=CC=2NC=1
|
|
| MCULE-5188343265 |
0.61 |
N1(C(C)C)C2C=CC=CC=2C(CC(C(NCCC2C=CC=CN=2)=O)NC(=O)OC(C)(C)C)=C1
|
|
| MCULE-1769812870 |
0.61 |
C1(=O)[C@H](CC2C3C=CC=CC=3NC=2)NC(=O)[C@H](CC2C=CC(=CC=2)OCCNC(=O)[C@H](C(C)C)NC(=O)CN1CCOC)NC(CC)=O
|
|
| MCULE-7736917633 |
0.61 |
C1(C(C2=CC=CC(=C2)C(F)(F)F)CC(=O)N2CCN(CC2)CC)C2=CC=CC=C2N(CC2=CC=C(C=C2)C)C=1
|
|
| MCULE-6776566020 |
0.61 |
COC(C(C1CCN(C(C(NC(C)=O)CC2C3=C(C=C(C=C3)F)NC=2)=O)CC1)O)=O
|
|
| MCULE-1632515789 |
0.61 |
NC(NC(C(NCCC1C2=C(C=CC=C2)NC=1)=O)CC1=CC=CC=C1)=O
|
|
| MCULE-4305249098 |
0.61 |
C1(=O)[C@H](CC2C3C=CC=CC=3NC=2)NC(=O)[C@H](CC2=CC=C(C=C2)OCCNC(=O)[C@H](C(C)C)NC(=O)CN1CCOC)NC(C(C)C)=O
|
|
| MCULE-5388716495 |
0.61 |
CN(C1C=CC=CC=1)CCNC([C@H](CC1C2C=CC=CC=2NC=1)N)=O
|
|
| MCULE-6450804675 |
0.61 |
C1(=O)[C@H](CC2C3C=CC=CC=3NC=2)NC(=O)[C@H](CC2C=CC(=CC=2)OCCNC(=O)[C@H](C(C)C)NC(=O)CN1CCOC)NC(C)=O
|
|
| MCULE-7064555198 |
0.61 |
CCNC(N1CCN(C([C@H](CC2C3C=CC=CC=3NC=2)N)=O)CC1)=O
|
|
| MCULE-6305102702 |
0.61 |
N1(C)C2=CC=CC=C2C(CCC(NCCCC2C=CC=CC=2)=O)=C1
|
|
| MCULE-7817742099 |
0.61 |
C1N(CCNC(=O)[C@@H]2CC3=CN(C4C=CC=C([C@@H](N2)CC(C)C)C3=4)CC2=CC=NC=C2)CCOC1
|
|
| MCULE-3014058291 |
0.61 |
C(N[C@@H](CO)C(N1CCC[C@H]1C(N[C@@H](CC1C2C(=CC=CC=2)NC=1)C(N[C@@H]([C@H](O)C)C(N[C@@H](CC(N)=O)C(N[C@@H](CC1=CC=CC=C1)C(N)=O)=O)=O)=O)=O)=O)([C@H](CC1C=CC(O)=CC=1)N)=O
|
|
| MCULE-2265465987 |
0.61 |
COCCNC(NC(CN1C(=O)C(CC2C3=C(C=CC=C3)NC=2)NC1=O)=O)=O
|
|
| MCULE-2222354349 |
0.61 |
N12C[C@@H](C[C@H]1C(=O)N[C@H](C(C)C)CC[C@@H](C)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)NC(=O)C1C=CC(=CC=1)F
|
|
| MCULE-3030311643 |
0.61 |
CC(NC(C(N1CCC(CN2N=NC=C2)CC1)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-6650998457 |
0.61 |
N1(CCN(CC1)C(CC(C1=CC=C(OC)C(OC)=C1)C1C2C=CC=CC=2N(C=1)C)=O)CC=CC1C=CC=CC=1
|
|
| MCULE-3419314002 |
0.61 |
O=C(NC1(C#N)CCCC1)CN1C(=O)C(CC2C3=C(C=CC=C3)NC=2)NC1=O
|
|
| MCULE-2346084457 |
0.61 |
N12C[C@@H](C[C@H]1C(=O)NCCCC[C@H](NC(=O)C1CC3=C(C=CC=C3)C1)C(N[C@H](C)C(=O)N[C@@H](CC1C3C=CC=CC=3NC=1)C(=O)N[C@H](CC(C)C)C2=O)=O)O
|
|
| MCULE-9161485706 |
0.61 |
COC(CC1(NC(C(NC(C)=O)CC2C3=C(C=C(C=C3)F)NC=2)=O)CC1)=O
|
|
| MCULE-8740607990 |
0.61 |
C(N[C@@H]([C@H](O)C)C(N[C@@H](CC1C2C(=CC=CC=2)NC=1)C(N[C@@H](CC(C)C)C(N1CCC[C@H]1C(N1CCC[C@H]1C(N[C@@H](CCCNC(N)=N)C(O)=O)=O)=O)=O)=O)=O)([C@H](C)N)=O
|
|
| MCULE-3893744782 |
0.61 |
CCOCCCNC(CN1C(=O)C(CC2C3=C(C=CC=C3)NC=2)NC1=O)=O
|
|
| MCULE-2291465179 |
0.61 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCN(CC1=CC=NC=C1)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)O
|
|
| MCULE-5738263849 |
0.61 |
C1CN(C(=O)[C@@H]2CC3=CNC4C=CC=C([C@@H](N2)CC(C)C)C3=4)CCC1CO
|
|
| MCULE-9495113676 |
0.61 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CN(C(=O)CCOC)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)C1=CC=CC=C1)O
|
|
| MCULE-9762703367 |
0.61 |
N1(C(=O)CNC1=O)CC(=O)N1CC(=O)N[C@H](CC2C3C=CC=CC=3NC=2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CC=C(C=C2)OC)C(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C1
|
|
| MCULE-8657896581 |
0.61 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CN(C(=O)CC1C=CC=CC=1)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)C1C=CC=CC=1)O
|
|
| MCULE-1499657069 |
0.61 |
CN1C2C=CC=CC=2C(CCC(N2C(C(=O)O)(C)CCC2)=O)=C1
|
|
| MCULE-5740168433 |
0.61 |
Cl.C1(C[C@@H](C(=O)NCC2C=CC=CC=2OC)NC(=O)[C@@H]2CC3=CC=CC=C3CN2)C2C=CC=CC=2NC=1
|
|
| MCULE-7920519603 |
0.61 |
N12C[C@H](C[C@H]1CN([C@@H](CC(C)C)C2=O)C(=O)CCC1C2C=CC=CC=2NC=1)NC(C)=O
|
|
| MCULE-1106202353 |
0.61 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CN(C(=O)[C@H](CC)C1C=CC=CC=1)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)C1=CC=CC=C1)O
|
|
| MCULE-8090701381 |
0.61 |
N1(C[C@@H](C[C@H]1C(=O)NC(C)C)N)C(=O)CCC1C2=CC=CC=C2NC=1
|
|
| MCULE-7601575934 |
0.61 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CN(C(=O)[C@@H](CC)C1C=CC=CC=1)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)C1=CC=CC=C1)O
|
|
| MCULE-2710019791 |
0.61 |
CN1C2C=CC=CC=2C(CCC(N2[C@H](C(=O)O)CCC2)=O)=C1
|
|
| MCULE-8076208804 |
0.61 |
Cl.C1(CC(C(=O)NCC2C=CC=CC=2OC)NC(=O)C2CC3=CC=CC=C3CN2)C2C=CC=CC=2NC=1
|
|
| MCULE-3273376334 |
0.61 |
CN1C2C=CC=CC=2C(CCC(N2[C@@H](C(=O)O)CCC2)=O)=C1
|
|
| MCULE-5549374131 |
0.61 |
CN(C(C1CCCCC1)CNC(CCC1C2=C(C=CC=C2)NC=1)=O)C
|
|
| MCULE-4719811341 |
0.61 |
CCCCC(C(O)=O)NC(CCC1C2=C(C=CC=C2)N(C)C=1)=O
|
|
| MCULE-3865808402 |
0.61 |
CC(C(N(C)C)CNC(CC1C2=C(C=CC=C2)N(C)C=1)=O)C
|
|
| MCULE-2187624166 |
0.61 |
N1(CC2C=CC=CC=2F)C2=CC=CC=C2C(CCC(NCCN2CCN(CC2)CC)=O)=C1
|
|
| MCULE-4224268869 |
0.61 |
O=C(N1CC2N(CCCC2)CC1)CCC1C2=C(C=CC=C2)NC=1
|
|
| MCULE-5299044107 |
0.61 |
N12CC(CC1CN(C(CC(C)C)C2=O)C(=O)CCC1C2C=CC=CC=2NC=1)NC(C)=O
|
|
| MCULE-9475834997 |
0.61 |
CC([C@H](NC(CCC1C2=C(C=CC=C2)N(C)C=1)=O)CO)C
|
|
| MCULE-2410829538 |
0.61 |
CN1C2C=CC=CC=2C(CCC(N2C(C(=O)O)CCC2)=O)=C1
|
|
| MCULE-1053336261 |
0.61 |
CC(C1C2=C(C=CC=C2)NC=1)CC(N1CCN(CCCCCO)CC1)=O
|
|
| MCULE-5095085021 |
0.61 |
NCC(NCC(NCCCC1C2C=CC=CC=2NC=1)=O)=O
|
|
| MCULE-4591573921 |
0.61 |
N12C[C@@H](C[C@H]1C(=O)NCCCC[C@H](NC(=O)[C@H]1CCCO1)C(N[C@H](C)C(=O)N[C@@H](CC1C3C=CC=CC=3NC=1)C(=O)N[C@H](CC(C)C)C2=O)=O)O
|
|
| MCULE-4327597673 |
0.61 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CN(C(CCC1C=C(C)C=C(C)C=1)=O)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)C1C=CC=CC=1)O
|
|
| MCULE-6126410197 |
0.61 |
N12C[C@@H](C[C@H]1C(=O)NCCCC[C@H](NC(=O)[C@@H]1CCCO1)C(N[C@H](C)C(=O)N[C@@H](CC1C3C=CC=CC=3NC=1)C(=O)N[C@H](CC(C)C)C2=O)=O)O
|
|
| MCULE-7411228402 |
0.61 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CN(C(=O)C1CC1)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)C1=CC=CC=C1)O
|
|
| MCULE-1568262950 |
0.61 |
CC1N(C2CC2)C(C)=C(C(CN2C(=O)C(CC3C4=C(C=CC=C4)NC=3)NC2=O)=O)C=1
|
|
| MCULE-9702149757 |
0.61 |
C1(C2C=CC=CC=2NC=1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CC1)C(=O)N[C@@H](CC1C=CC=CC=1)C(O)=O
|
|
| MCULE-1814096837 |
0.61 |
CCC(C(NC(C(=O)O)CC1C2C=CC=CC=2NC=1)=O)CC
|
|
| MCULE-4961569990 |
0.61 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1C=CC=CC=1)C(=O)NCCN(C(C1CCOCC1)=O)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)O
|
|
| MCULE-8469559751 |
0.61 |
OC([C@H](NC(C1CC1)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-6975912469 |
0.61 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CN(C(C1CCC1)=O)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)C1C=CC=CC=1)O
|
|
| MCULE-7803771931 |
0.61 |
OC(C(NC(C1CC1)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-5190113678 |
0.61 |
C1(C)(C)C(C1(C)C)C(=O)N1CC(=O)N[C@H](CC2C3C=CC=CC=3NC=2)C(=O)N2C[C@@H](C[C@H]2C(=O)N[C@@H](C)C(=O)N[C@H](C2=CC=CC=C2)C1)O
|
|
| MCULE-5845832716 |
0.61 |
CCN1C(=O)CN(C(CCC2C3=C(C=CC(=C3)C)NC=2)=O)CCC1
|
|
| MCULE-9005003220 |
0.61 |
C(N)C(N[C@@H](CO)C(N[C@@H](C(N[C@@H](C(N[C@@H](CCCNC(N)=N)C(O)=O)=O)CC1C=CC=CC=1)=O)CC1C2C=CC=CC=2NC=1)=O)=O
|
|
| MCULE-6859226124 |
0.61 |
N[C@H](C(NC1CC(C(F)(F)F)CCC1)=O)CC1C2C=CC=CC=2NC=1
|
|
| MCULE-2065380664 |
0.61 |
C1(C2C=CC=CC=2NC=1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CC1)C(=O)N[C@@H](CC(C)C)C(O)=O
|
|
| MCULE-9070438944 |
0.61 |
C(CC(CCC1=CC=CC=C1)C1C2C(=CC=CC=2)N(C)C=1)(N1CCN(CC1)CC)=O
|
|
| MCULE-8864039898 |
0.61 |
C1(C[C@@H](C(=O)NCC2=CC=C(C=C2)C)NC(=O)C2CCN(CC2)C(=O)CNC(=O)OC(C)(C)C)C2C=CC=CC=2NC=1
|
|
| MCULE-2177713523 |
0.61 |
COCCC1(CC1)CNC([C@H](CC1C2C=CC=CC=2NC=1)N)=O
|
|
| MCULE-1537925928 |
0.61 |
CC(C#N)CNC(C(NC(C)=O)CC1C2=C(C=C(C=C2)F)NC=1)=O
|
|
| MCULE-7469961618 |
0.61 |
N1(C[C@H](C[C@H]1CNC(CC)=O)F)C(=O)[C@H](N)CC1C2C=CC=CC=2NC=1
|
|
| MCULE-7807115780 |
0.61 |
O=C1N(C(C2CCC2)C2CCC2)C(=O)[C@@H](CC2C3=C(C=CC=C3)NC=2)N1
|
|
| MCULE-6796752486 |
0.61 |
N1(C)C2=CC=CC=C2C(CCC(=O)NCC(=O)C2C=CC(=CC=2)OC)=C1
|
|
| MCULE-5658333631 |
0.61 |
CN(C(CCC1C2C=C(C=CC=2NC=1)C)=O)CC(N1CC(C(=O)O)CCC1)=O
|
|
| MCULE-9132364144 |
0.61 |
CN1C2C=CC=CC=2C(CCC(NC2(C(=O)O)CCCCC2)=O)=C1
|
|
| MCULE-5230377051 |
0.61 |
CN(C(CCNC([C@H](CC1C2C=CC=CC=2NC=1)N)=O)=O)C
|
|
| MCULE-2909438175 |
0.61 |
C1(=CC=CC=C1)CCNC(CC(C1=CC=CC(=C1)C(F)(F)F)C1C2C=CC=CC=2N(C=1)C)=O
|
|
| MCULE-1490096169 |
0.61 |
CCCNC(CCNC([C@H](CC1C2C=CC=CC=2NC=1)N)=O)=O
|
|
| MCULE-5776282218 |
0.61 |
S(C)(=O)(=O)N1CCN(CC1)C(=O)CCC1C2=CC=CC=C2N(C)C=1
|
|
| MCULE-6898848679 |
0.61 |
CC(NC(CCNC([C@H](CC1C2C=CC=CC=2NC=1)N)=O)=O)(C)C
|
|
| MCULE-7778644950 |
0.61 |
C1(C2=CC=CC=C2NC=1)C(=O)C(C)N1CCN(CC1)CC=CC1C=CC=CC=1
|
|
| MCULE-1124534570 |
0.61 |
CC(CC(=O)O)CNC(CCC1C2C=CC=CC=2N(C)C=1)=O
|
|
| MCULE-6050555197 |
0.61 |
C1(CC(C(NC)=O)NC(=O)OC(C)(C)C)C2=CC=CC=C2NC=1
|
|
| MCULE-8288894510 |
0.61 |
CN1CCC(CNC([C@H](CC2C3C=CC=CC=3NC=2)N)=O)CC1
|
|
| MCULE-7180872775 |
0.61 |
C1(CC([H])(C(O)=O)NC(C([H])(N)CCC(O)=O)=O)C2C=CC=CC=2NC=1
|
|
| MCULE-5553759806 |
0.61 |
CN1C2C=CC=CC=2C(CCC(NCCCC(=O)O)=O)=C1
|
|
| MCULE-1845640965 |
0.61 |
C1(C2C=CC=CC=2N(C)C=1)C(CC(=O)N1CCN(CC1)CC)C1=CC(C)=CC=C1F
|
|
| MCULE-9040647160 |
0.61 |
CNC(C(CN(C([C@H](CC1C2C=CC=CC=2NC=1)N)=O)C)C)=O
|
|
| MCULE-6347163790 |
0.61 |
C1(C[C@]([H])(C(=O)[O-])NC([C@]([H])(N)CCC(O)=O)=O)C2C=CC=CC=2NC=1
|
|
| MCULE-7685498487 |
0.61 |
CN(C(CCC1C2C=CC=CC=2N(C)C=1)=O)CCCC(=O)O
|
|
| MCULE-2641970885 |
0.61 |
C12C=CC=CC=1NC=C2C[C@@H](C(=O)O)NC(=O)[C@@H](N)CCC(=O)O
|
|
| MCULE-5294070281 |
0.61 |
CN1C2C=CC=CC=2C(CCC(NCCC(C(=O)O)(C)C)=O)=C1
|
|
| MCULE-1411266381 |
0.61 |
C1(C[C@H](N)C(=O)N2CCC(CC2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)C2C=CC=CC=2NC=1
|
|
| MCULE-2272016662 |
0.61 |
N1(C(C)C)C2=CC=CC=C2C(CCC(NCCC2C=CN=CC=2)=O)=C1
|
|
| MCULE-1054988336 |
0.61 |
C(O)(=O)[C@@H](NC(=O)[C@@H](N)CC1C2=C(NC=1)C=CC=C2)CC[Si](C)(C)C
|
|
| MCULE-5127410692 |
0.61 |
CC(NC(CCNC([C@H](CC1C2C=CC=CC=2NC=1)N)=O)=O)C
|
|
| MCULE-8294689538 |
0.61 |
C(O)(=O)[C@H](CC1C2C(=CC=CC=2)NC=1)NC(=O)[C@H](CCC(O)=O)N
|
|
| MCULE-3376904412 |
0.61 |
CC([C@@H](C(NCC(NCCC1C2C(=CC=CC=2NC=1)C)=O)=O)N)C
|
|
| MCULE-4755038497 |
0.61 |
C[C@H]1[C@@H](NC(C(NC(C)=O)CC2C3=C(C=CC=C3)NC=2)=O)CCO1
|
|
| MCULE-5557352887 |
0.61 |
CC(C(NCCC1C2C=CC=CC=2NC=1)=O)N1C[C@@H](C2C=CC=CC=2)[C@H](N)C1
|
|
| MCULE-6565253811 |
0.61 |
C1(C(C2=CC=CC(=C2)C(F)(F)F)CC(=O)N2CCN(CC2)CC)C2=CC=CC=C2N(CC2=CC=C(C=C2)F)C=1
|
|
| MCULE-6887885979 |
0.61 |
CCC(NC(CCNC([C@H](CC1C2C=CC=CC=2NC=1)N)=O)=O)C
|
|
| MCULE-6629551167 |
0.61 |
O=C(C1=CC=C(C2CCCCC2)C=C1)CN1C(=O)C(CC2C3=C(C=CC=C3)NC=2)NC1=O
|
|
| MCULE-7036051464 |
0.61 |
CC1C=CC=CC=1CCNC([C@H](CC1C2C=CC=CC=2NC=1)N)=O
|
|
| MCULE-8564005406 |
0.61 |
O=C(NCCCN1C(=O)CCC1)CN1C(=O)C(CC2C3=C(C=CC=C3)NC=2)NC1=O
|
|
| MCULE-6986152947 |
0.61 |
CN(CC1CCN(C([C@H](CC2C3C=CC=CC=3NC=2)N)=O)CC1)C
|
|
| MCULE-1796994422 |
0.61 |
FC1=CC=C(C(CN2C(=O)C(CC3C4=C(C=CC=C4)NC=3)NC2=O)=O)C=C1
|
|
| MCULE-6320834674 |
0.61 |
CC(NCC1CCN(C([C@H](CC2C3C=CC=CC=3NC=2)N)=O)CC1)=O
|
|
| MCULE-9247816695 |
0.61 |
N12CC3C=CC=CC=3C[C@@H]1C(=O)N[C@@H](CC1C3C=CC=CC=3NC=1)C2=O
|
|
| MCULE-9001053520 |
0.61 |
CC1=CC2=C(NC=C2CCC(N2CCN(CC(N)=O)CC2)=O)C=C1
|
|
| MCULE-1706262374 |
0.61 |
CC(N(C(CN1C(=O)C(CC2C3=C(C=CC=C3)NC=2)NC1=O)=O)CC1=CC=CC=C1)C1CC1
|
|
| MCULE-8687560620 |
0.61 |
CNC(CCN(C([C@H](CC1C2C=CC=CC=2NC=1)N)=O)C)=O
|
|
| MCULE-9081578996 |
0.61 |
O=C(N(CC1=CC=CC=C1)CCC1=CC=CC=C1)CN1C(=O)C(CC2C3=C(C=CC=C3)NC=2)NC1=O
|
|
| MCULE-8499642328 |
0.61 |
C1CCCC1NC(=O)[C@@H]1CC2=CN(C3C=CC=C([C@@H](N1)CC(C)C)C2=3)CC#CC
|
|
| MCULE-4761841940 |
0.61 |
C1(CC(NC(OCC2C=CC=CC=2)=O)C(=O)NC2CCCCCC2)C2C=CC=CC=2NC=1
|
|
| MCULE-1057137744 |
0.61 |
C1(C[C@@H](C(NCCCN2C=CN=C2)=O)NC(=O)OC(C)(C)C)C2C=CC=CC=2N(C)C=1
|
|
| MCULE-8410971345 |
0.61 |
C(CCCN)[C@@H](C(N[C@@H](CCCNC(N)=N)C(N[C@H](CCCNC(N)=N)C(N[C@@H](C(N[C@@H](CCCCN)C(N[C@H](CCCCN)C(N[C@H](CC(=O)N)C(N[C@@H](C(N[C@H](C(N[C@@H](C(N[C@@H](C(C)C)C(N)=O)=O)C)=O)[C@H](C)CC)=O)CC1C=CC=CC=1)=O)=O)=O)=O)CC1C2C=CC=CC=2NC=1)=O)=O)=O)N
|
|
| MCULE-4561427395 |
0.61 |
CC(C(C(N1CC=C(C2C3=C(C=CC=C3)NC=2)CC1)=O)NC(C1=CC(C)=CC=C1)=O)C
|
|
| MCULE-3852743181 |
0.61 |
C(O)(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC1C2=C(C=CC=C2)NC=1)N
|
|
| MCULE-8446678016 |
0.61 |
C1CCC1NC(=O)[C@@H]1CC2=CN(C3C=CC=C([C@@H](N1)CC(C)C)C2=3)CC#CC
|
|
| MCULE-2394743487 |
0.61 |
N12C[C@H](C[C@H]1C(=O)N[C@@H](CC1C3C=CC=CC=3NC=1)C2=O)NCC1=CC(C)=CC=C1C
|
|
| MCULE-7285955334 |
0.61 |
CC(N(C(CN1C(=O)C(CC2C3=C(C=CC=C3)NC=2)NC1=O)=O)CC(F)(F)F)C1CC1
|
|
| MCULE-3981545831 |
0.61 |
C1CC(CCN1C(=O)[C@@H]1CC2=CNC3C=CC=C([C@@H](N1)CC(C)C)C=32)NC(=O)C1C=CC=CC=1
|
|
| MCULE-7087947504 |
0.61 |
O=C(N1CCN(CC2=CC=CC=C2)CC1)CN1C(=O)C(CC2C3=C(C=CC=C3)NC=2)NC1=O
|
|
| MCULE-7006267405 |
0.61 |
[H]Cl.CC(C(=O)N[C@@H](C(=O)N1CCC[C@](CC2C=CC=CC=2)(C(=O)N(N(C)C)C)C1)CC1C2C=CC=CC=2NC=1)(N)C
|
|
| MCULE-3868435846 |
0.61 |
N1[C@@H](CSC)C(=O)N[C@H](CC2C3C=CC=CC=3NC=2)C1=O
|
|
| MCULE-6822839445 |
0.61 |
COC(CC(C1=CC=CC=C1)NC(C(NC(C)=O)CC1C2=C(C=C(C=C2)F)NC=1)=O)=O
|
|
| MCULE-6023022921 |
0.61 |
OC(C(NC(C1CC=CCC1)=O)CC1C2C=CC=CC=2NC=1)=O
|
|
| MCULE-5942537448 |
0.61 |
N1(CC(=O)N[C@H](CC2C3C=CC=CC=3NC=2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CC=C(C=C2)OC)C(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C1)C(CSC)=O
|
|
| MCULE-1984112358 |
0.61 |
CCC1=C2C(C(C(CN3C(=O)C(CC4C5=C(C=CC=C5)NC=4)NC3=O)=O)=CN2)=CC=C1
|
|
| MCULE-9325477175 |
0.61 |
C1(CC(C(OCC)=O)NC(=O)C(CC2=CC=C(N(CCCl)CCCl)C=C2)NC(C)=O)C2C=CC=CC=2NC=1
|
|
| MCULE-9607469960 |
0.61 |
NC(NC(C(N1CCN(C2=C(Cl)C=CC=C2)CC1)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-5661523686 |
0.61 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CN(C(COC)=O)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)C1C=CC=CC=1)O
|
|
| MCULE-6909078560 |
0.61 |
C1(=O)C(CCN1CC1CC1)N1CCCN(C(=O)CCC2C3C=CC=CC=3NC=2)CC1
|
|
| MCULE-7230950174 |
0.61 |
N1(C)[C@@H](C)C(=O)N[C@@H](CC2C=CC=CC=2)C(=O)NCCN(C(=O)CN2CCOC3C=CC=CC=3C2)CC(=O)N[C@@H](CC2C3C=CC=CC=3NC=2)C1=O
|
|
| MCULE-6237842771 |
0.61 |
C(CC1=CNC2C=CC=CC1=2)(NC(=O)CC(=O)C)C(=O)O
|
|
| MCULE-3361478443 |
0.61 |
N12C[C@@H](C[C@H]1C(=O)N[C@H](C(C)C)CC[C@@H](C)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)NC(=O)C1C=CC=C(C=1)C(F)(F)F
|
|
| MCULE-7218428516 |
0.61 |
O=C(NC1C(=O)NC(=O)CC1)CCC1C2=C(C=CC=C2)NC=1
|
|
| MCULE-3663413024 |
0.61 |
C1(C[C@@H](C(NCCN2C3C=CC=CC=3N=C2)=O)NC(=O)OC(C)(C)C)C2C=CC=CC=2N(C)C=1
|
|
| MCULE-5397869413 |
0.61 |
O=C(N(C1C(=O)NC(=O)C1)C1CC1)CCC1C2=C(C=CC=C2)NC=1
|
|
| MCULE-7281747868 |
0.61 |
CC1N(CC(F)(F)F)C(C)=C(C(CN2C(=O)C(CC3C4=C(C=CC=C4)NC=3)NC2=O)=O)C=1
|
|
| MCULE-2165876115 |
0.61 |
C1COCCN1C(=O)[C@@H]1CC2=CN(C3C=CC=C([C@@H](N1)CC(C)C)C2=3)CC=C
|
|
| MCULE-9755294276 |
0.61 |
C1(CC(C(NCCN2C3C=CC=CC=3N=C2)=O)NC(=O)OC(C)(C)C)C2C=CC=CC=2N(C)C=1
|
|
| MCULE-6996365026 |
0.61 |
COC1=C(CN(C(C(NC(C)=O)CC2C3=C(C=CC=C3)NC=2)=O)C)C=C(Br)C=C1
|
|
| MCULE-1169221133 |
0.61 |
N[C@H](C(N1CCC(C(=O)N)CC1)=O)CC1C2C=CC=CC=2NC=1
|
|
| MCULE-2200434624 |
0.61 |
N12C[C@H](C[C@H]1C(=O)N[C@@H](CC1C3C=CC=CC=3NC=1)C2=O)NC(=O)C1C=CC(=CC=1)CC
|
|
| MCULE-2010005154 |
0.61 |
CN1C2C=CC=CC=2C(CCC(NCCCCC(=O)O)=O)=C1
|
|
| MCULE-3627301260 |
0.61 |
N12CCN(C[C@@H]1C(N[C@@H](CC1C3C=CC=CC=3NC=1)C2=O)=O)C(=O)C1C=CC(=C(F)C=1)C
|
|
| MCULE-9233161550 |
0.61 |
CC(N1CCC(N(C([C@H](CC2C3C=CC=CC=3NC=2)N)=O)C)CC1)C
|
|
| MCULE-4757050849 |
0.61 |
O=C(N[C@H](CCCNC(N)=N)C(N[C@H](C(N[C@@H](C(N[C@H](CCCNC(N)=N)C(N[C@@H](C(N[C@@H](CCCCN)C(N)=O)=O)CC1C2C=CC=CC=2NC=1)=O)=O)CC1C=CC(O)=CC=1)=O)CC1C=CC(O)=CC=1)=O)C
|
|
| MCULE-6702653984 |
0.61 |
CC(NC(CC1C2=C(C=CC=C2)N(C)C=1)=O)CN1C(=O)CCC1
|
|
| MCULE-4060222068 |
0.61 |
C1C(CNC(=O)[C@@H]2CC3=CNC4C=CC=C([C@@H](N2)CC(C)C)C=43)=C(C=CC=1)Cl
|
|
| MCULE-1599064967 |
0.61 |
CNC(C1CCN(C([C@H](CC2C3C=CC=CC=3NC=2)N)=O)CC1)=O
|
|
| MCULE-9700450975 |
0.61 |
N1(C)[C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NCCN(C(=O)C2=CC=CN2)CC(=O)N[C@@H](CC2C3C=CC=CC=3NC=2)C1=O
|
|
| MCULE-9855022230 |
0.61 |
CN1C2=C(C=CC=C2)C(CCNC(CN2CCC(CO)CC2)=O)=C1
|
|
| MCULE-1495800365 |
0.61 |
C(C(C)=CC)(N1CCC(CC1)C1=CN(CC2C=C(F)C=CC=2)C2C1=CC=CC=2)=O
|
|
| MCULE-2061032056 |
0.61 |
CCCN1CCC(NC([C@H](CC2C3C=CC=CC=3NC=2)N)=O)CC1
|
|
| MCULE-6382440462 |
0.61 |
N1(CCN(CC1)C(CC(C1C=CC(=CC=1)C)C1C2C=CC=CC=2N(C=1)CC)=O)C(C1C=CC=CC=1)C1C=CC=CC=1
|
|
| MCULE-6227051319 |
0.61 |
CC(N1CCC(NC([C@H](CC2C3C=CC=CC=3NC=2)N)=O)CC1)C
|
|
| MCULE-5498387197 |
0.61 |
N1(CCN(CC1)C(CC(C1C=CC(=CC=1)C)C1C2C=CC=CC=2N(C=1)CC)=O)CC1C=CC=CC=1
|
|
| MCULE-4585929928 |
0.61 |
CN(C(C1CCN(C([C@H](CC2C3C=CC=CC=3NC=2)N)=O)CC1)=O)C
|
|
| MCULE-3293073812 |
0.61 |
COCCC(C(=O)O)NC(CCC1C2C=CC=CC=2N(C)C=1)=O
|
|
| MCULE-2991273069 |
0.61 |
CCN1CCC(NC([C@H](CC2C3C=CC=CC=3NC=2)N)=O)CC1
|
|
| MCULE-5772277083 |
0.61 |
N12C[C@@H](C[C@H]1C(=O)NCCCC[C@H](NC(C1CCOCC1)=O)C(N[C@H](C)C(=O)N[C@@H](CC1C3C=CC=CC=3NC=1)C(=O)N[C@H](CC(C)C)C2=O)=O)O
|
|
| MCULE-2132068810 |
0.61 |
CN1CCC(NC([C@H](CC2C3C=CC=CC=3NC=2)N)=O)CC1
|
|
| MCULE-7447509081 |
0.61 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CN(C1CCCCCC1)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)C1=CC=CC=C1)O
|
|
| MCULE-8947159136 |
0.61 |
CCCC(C(NC(C(=O)O)CC1C2C=CC=CC=2NC=1)=O)C
|
|
| MCULE-5686921858 |
0.61 |
C(C1=CNC2C=CC=CC1=2)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H](C(=O)O)CC(C)C)NC([C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)CNC([C@@H]1CCC(=O)N1)=O)=O
|
|
| MCULE-8792269583 |
0.61 |
CCC(C(C(NC(C(=O)O)CC1C2C=CC=CC=2NC=1)=O)C)CC
|
|
| MCULE-1379567756 |
0.61 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CN(C(C1=CC=CC=C1)=O)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)C1=CC=CC=C1)O
|
|
| MCULE-2235722763 |
0.61 |
CCCCNC(C1(NC(CC2C3=C(C=CC=C3)N(C)C=2)=O)CCCCC1)=O
|
|
| MCULE-2909590464 |
0.61 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CN(C(C1CCCC1)=O)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)C1=CC=CC=C1)O
|
|
| MCULE-6659796968 |
0.61 |
CCC(C(C(NC(C(O)=O)CC1C2=C(C=CC=C2)NC=1)=O)C)C
|
|
| MCULE-4454830837 |
0.61 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1C=CC=CC=1)C(=O)NCCN(C(=O)C1=CC=C(C=C1)CN)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)O
|
|
| MCULE-5913881264 |
0.61 |
CC(C1C2=C(C=CC=C2)N(C)C=1)C(N1C(C(NC2CC2)=O)CCC1)=O
|
|
| MCULE-5400511160 |
0.61 |
N1(CC(=O)N[C@H](CC2C3C=CC=CC=3NC=2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2C=CC(=CC=2)OC)C(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C1)C(=O)C1=CC=CN=C1
|
|
| MCULE-2576661121 |
0.61 |
CC(CCC(NC(C(=O)O)CC1C2C=CC=CC=2NC=1)=O)C
|
|
| MCULE-6730408157 |
0.61 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CN(C(CCC1(C)CC1)=O)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)C1C=CC=CC=1)O
|
|
| MCULE-1207964300 |
0.61 |
CCC(CC(NC(C(=O)O)CC1C2C=CC=CC=2NC=1)=O)C
|
|
| MCULE-8919100050 |
0.61 |
C1(C[C@@H](C(O)=O)NC(=O)C[C@@]([H])(CNC(CN)=O)C2C=CC(=CC=2)Cl)C2C=CC=CC=2NC=1.Cl
|
|
| MCULE-1479134361 |
0.61 |
CC1=CC2=C(C(=CN2)CCC(NC2C(=O)NC(=O)C2)=O)C=C1
|
|
| MCULE-4577773127 |
0.61 |
C1(=CNC2=CC=CC=C12)CC(C(=O)OC)NC(=O)CN1CCCCC1
|
|
| MCULE-8548111623 |
0.61 |
CC(CCC(NC(C(=O)O)CC1C2C=CC=CC=2NC=1)=O)(C)C
|
|
| MCULE-7212759895 |
0.61 |
CN(S(N1CCN(C(C(NC(C)=O)CC2C3=C(C=CC=C3)NC=2)=O)CC1)(=O)=O)C
|
|
| MCULE-8693261375 |
0.61 |
CCCCC(NC(C(=O)O)CC1C2C=CC=CC=2NC=1)=O
|
|
| MCULE-5083255625 |
0.61 |
C1(C[C@@H](C(O)=O)NC(=O)C[C@@]([H])(CNC(CN)=O)C2C=CC(=CC=2)Cl)C2C=CC=CC=2NC=1
|
|
| MCULE-5499852296 |
0.61 |
CCN1C2C=CC=CC=2C(CC(N(C(C(=O)O)C)CCNC(=O)C)=O)=C1
|
|
| MCULE-6180330424 |
0.61 |
CC1N(C(CCC2C3=C(C=CC=C3)N(C)C=2)=O)CC(N)C1
|
|
| MCULE-3180115519 |
0.61 |
N(C)(C)CCNC(CC(C1=CC=C(C=C1)F)C1C2=CC=CC=C2N(C=1)CC1C=CC=CC=1)=O
|
|
| MCULE-6294825738 |
0.61 |
CN1C2C=CC=CC=2C(CCC(NCC(C(=O)O)CC2C=CC=CC=2)=O)=C1
|
|
| MCULE-2094558090 |
0.61 |
Cl.N1(CCOC)C2=CC=CC=C2C(CCC(=O)N2CCN(CC2)CC2C=CC=CC=2)=C1
|
|
| MCULE-5504833858 |
0.61 |
CC12CN(C([C@H](CC3C4C=CC=CC=4NC=3)N)=O)C(CC(C1)(C)C)C2
|
|
| MCULE-7093795366 |
0.61 |
CCC(C(=O)O)(CNC(CCC1C2C=CC=CC=2N(C)C=1)=O)CC
|
|
| MCULE-5933048617 |
0.61 |
CN1C2C=CC=CC=2C(CCC(NCC2(C(=O)O)CC2)=O)=C1
|
|
| MCULE-3920997447 |
0.61 |
N1(C)[C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NCCN(CC2=CC=CC=N2)CC(=O)N[C@@H](CC2C3C=CC=CC=3NC=2)C1=O
|
|
| MCULE-2260828818 |
0.61 |
S(N)(=O)(=O)C1=CC=C(C=C1)CCNC(=O)C(CC1C2C=CC=CC=2NC=1)NC(=O)C1CCC(CC1)C
|
|
| MCULE-4300665553 |
0.61 |
FC(C1=CC(CNC([C@@H](NC(C2=C(Cl)C=CC=C2)=O)CC2C3=C(C=CC=C3)NC=2)=O)=CC=C1)(F)F
|
|
| MCULE-1205281282 |
0.61 |
N[C@H](C(NCC1C(O)CCCC1)=O)CC1C2C=CC=CC=2NC=1
|
|
| MCULE-6338796132 |
0.61 |
COCC(C(=O)O)(NC(CCC1C2C=CC=CC=2N(C)C=1)=O)C
|
|
| MCULE-6030665370 |
0.61 |
C1(C2=CC=CC=C2N(CC)C=1)C1CC(NC1=O)=O
|
|
| MCULE-2068591259 |
0.61 |
CC(NC([C@H](CC1C2C=CC=CC=2NC=1)N)=O)CN1CCOCC1
|
|
| MCULE-8538714838 |
0.61 |
N1(CC(C)C)CC(O)CN(C(=O)CCC2C3C=CC=CC=3NC=2)CC1=O
|
|
| MCULE-6505117683 |
0.61 |
N1(CC2=CC=C(C=C2)C)C2=CC=CC=C2C(CCC(NCCCN2CCN(CC2)C)=O)=C1
|
|
| MCULE-1187391925 |
0.61 |
CN1C2=C(C=CC=C2)C(CCC(NCC(C2=CC=CC=C2)(C(O)=O)C)=O)=C1
|
|
| MCULE-3933574891 |
0.61 |
COCC(C(=O)O)NC(CCC1C2C=CC=CC=2N(C)C=1)=O
|
|
| MCULE-4685470600 |
0.61 |
C1(C2C=CC=CC=2NC=1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CC1)C(=O)NCC(=O)NC(CO)=O
|
|
| MCULE-1654103359 |
0.61 |
N12C[C@@H](C[C@H]1C(=O)N[C@H](C(C)C)CC[C@@H](C)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)NC(C1=CC=NC=C1)=O
|
|
| MCULE-3850560403 |
0.61 |
N12CCN(C[C@@H]1C(N[C@@H](CC1C3C=CC=CC=3NC=1)C2=O)=O)C(=O)C1=CC=CC(OC)=C1
|
|
| MCULE-9107346302 |
0.61 |
C(C1C2C=CC=CC=2NC=1)[C@H](N)C(N[C@H]([C@@H](O)C)C(N[C@@H](CC(C)C)C(N[C@@H](CC(=O)N)C(N[C@@H](CO)C(N[C@H](C(NCC(N[C@@H](C(N[C@@H](CC(C)C)C(N[C@H](CC(C)C)C(N)=O)=O)=O)CC1C=CC(O)=CC=1)=O)=O)C)=O)=O)=O)=O)=O
|
|
| MCULE-4765247121 |
0.61 |
O=C(C1=CC2=C(CCCC2)C=C1)CN1C(=O)C(CC2C3=C(C=CC=C3)NC=2)NC1=O
|
|
| MCULE-2467011339 |
0.61 |
NC([C@@H](CC1C2C=CC=CC=2NC=1)NC(=O)[C@@H]1N(C(=O)C2CCNCC2)CCN(C(=O)C2C=C(F)C=CC=2)C1)=O
|
|
| MCULE-9239917893 |
0.61 |
CCN(C([C@H](CC1C2C=CC=CC=2NC=1)N)=O)CC
|
|
| MCULE-8880559606 |
0.61 |
CC(NC([C@H](CC1C2C=CC=CC=2NC=1)N)=O)C
|
|
| MCULE-8865316525 |
0.61 |
C1(C[C@H](N)C(=O)NC(C)C)C2C=CC=CC=2NC=1
|
|
| MCULE-9248593346 |
0.61 |
CCN(C([C@H](CC1C2C=CC=CC=2NC=1)N)=O)C
|
|
| MCULE-8152355536 |
0.61 |
C12C=CC=CC=1NC=C2CC(N)C(=O)NC(C)C
|
|
| MCULE-7648949388 |
0.61 |
C12C=CC=CC=1NC=C2CC(N)C(=O)NCC
|
|
| MCULE-7639626533 |
0.61 |
C12C=CC=CC=1NC=C2C[C@H](N)C(=O)NCC
|
|
| MCULE-2323939737 |
0.61 |
CC(N(C([C@H](CC1C2C=CC=CC=2NC=1)N)=O)C)C
|
|
| MCULE-7851699746 |
0.61 |
C(=O)([C@H](C(C)C)N)N1CCC(CC1)C(=O)N[C@@H](CC1C2C=CC=CC=2NC=1)C(O)=O
|
|
| MCULE-1704121653 |
0.61 |
N1(CCCC1)CCNC(CC(C1=CC=C(C=C1)F)C1C2=CC=CC=C2N(C=1)CC1=CC=C(C=C1)F)=O
|
|
| MCULE-4152935657 |
0.61 |
C1(C[C@@H](C(O)=O)NC(=O)C2CCN(CC2)C(CN)=O)C2C=CC=CC=2NC=1
|
|
| MCULE-1954143936 |
0.61 |
C1=CC=CC=C1CNC(=O)[C@@H]1CC2=CN(C3C=CC=C([C@@H](N1)CC(C)C)C2=3)CC1C=NC=CC=1
|
|
| MCULE-5622226124 |
0.61 |
N1(CC(=O)N[C@H](CC2C3C=CC=CC=3NC=2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CC=C(C=C2)OC)C(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C1)C(=O)[C@@H]1CCCO1
|
|
| MCULE-3438068670 |
0.61 |
CC1N(C)C(C)=C(C(CN2C(=O)C(CC3C4=C(C=CC=C4)NC=3)NC2=O)=O)C=1
|
|
| MCULE-1299534430 |
0.61 |
N1(CC(=O)N[C@H](CC2C3C=CC=CC=3NC=2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CC=C(C=C2)OC)C(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C1)C(=O)[C@H]1CCCO1
|
|
| MCULE-7881954715 |
0.61 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1C=CC=CC=1)C(=O)NCCN(C(=O)C1=CC=CC(CN)=C1)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)O
|
|
| MCULE-4844072918 |
0.61 |
C#CCNC(=O)[C@@H]1CC2=CN(C3C=CC=C([C@@H](N1)CC(C)C)C2=3)CC1=CC=NC=C1
|
|
| MCULE-6386014361 |
0.61 |
CN(CC(CNC([C@H](CC1C2C=CC=CC=2NC=1)N)=O)(C)C)C
|
|
| MCULE-5608641625 |
0.61 |
CN(CC1N(C(CCC2C3=C(C=CC=C3)NC=2)=O)CCCC1)C
|
|
| MCULE-3392242816 |
0.61 |
N[C@H](C(NC(C1CC1)C1CC1)=O)CC1C2C=CC=CC=2NC=1
|
|
| MCULE-8319382752 |
0.61 |
CC(CN1CC(CNC(C(NC(C)=O)CC2C3=C(C=CC=C3)NC=2)=O)OCC1)C
|
|
| MCULE-3887125505 |
0.61 |
CC(NC(C(NC1CCC2(OCCO2)CC1)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-4831461266 |
0.61 |
CCSCCCNC(C(NC(C1=C(Cl)C=CC=C1)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-2551294641 |
0.61 |
N12C[C@H](C[C@H]1C(=O)N[C@@H](CC1C3C=CC=CC=3NC=1)C2=O)NCC1=CC=CC=C1C
|
|
| MCULE-7080856412 |
0.61 |
N1(CC(=O)N[C@H](CC2C3C=CC=CC=3NC=2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2C=CC(=CC=2)OC)C(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C1)C(CCCC1C=NNC=1)=O
|
|
| MCULE-6819700651 |
0.61 |
ClC1=C(C(NC(C(N2CCN(C3=CC=NC=C3)CC2)=O)CC2C3=C(C=CC=C3)NC=2)=O)C=CC=C1
|
|
| MCULE-6094282231 |
0.61 |
COCC(NC(CN1C(=O)C(CC2C3=C(C=CC=C3)NC=2)NC1=O)=O)C
|
|
| MCULE-8583337011 |
0.61 |
CCCC(NC(C(=O)O)CC1C2C=CC=CC=2NC=1)=O
|
|
| MCULE-3229522140 |
0.61 |
O=C([C@@H](CC1C2C=CC=CC=2NC=1)NC(=O)CN)O
|
|
| MCULE-7937475845 |
0.61 |
C12C=CC=CC=1NC=C2C[C@H](C(=O)O)NC(=O)CN
|
|
| MCULE-1787956828 |
0.61 |
C1(CC(NC(CN)=O)C(O)=O)C2C=CC=CC=2NC=1
|
|
| MCULE-8563073462 |
0.61 |
CC(CC(NC(C(=O)O)CC1C2C=CC=CC=2NC=1)=O)(C)C
|
|
| MCULE-1070192732 |
0.61 |
N[C@H](C(NC1CCC(C(F)(F)F)CC1)=O)CC1C2C=CC=CC=2NC=1
|
|
| MCULE-2617261778 |
0.61 |
C12C=CC=CC=1NC=C2C[C@@H](C(=O)O)NC(=O)CN
|
|
| MCULE-4748632295 |
0.61 |
CC(C(C(NC(C(=O)O)CC1C2C=CC=CC=2NC=1)=O)C)C
|
|
| MCULE-4452191684 |
0.61 |
CCC(C(NC(C(=O)O)CC1C2C=CC=CC=2NC=1)=O)C
|
|
| MCULE-4564617762 |
0.61 |
N1(CC(=O)N[C@H](CC2C3C=CC=CC=3NC=2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2C=CC(=CC=2)OC)C(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C1)C(=O)C1C=CNC=1
|
|
| MCULE-8990754925 |
0.61 |
CC(N1C(C(N2CC=C(C3C4=C(C=CC=C4)NC=3)CC2)=O)CCC1)=O
|
|
| MCULE-2983611163 |
0.61 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CN(C(CCC1=CC=NC=C1)=O)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)C1C=CC=CC=1)O
|
|
| MCULE-2203162663 |
0.61 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CN(C(=O)CN1CCCC1=O)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)C1=CC=CC=C1)O
|
|
| MCULE-8250926388 |
0.61 |
N1(CC(=O)N[C@H](CC2C3C=CC=CC=3NC=2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2C=CC(=CC=2)OC)C(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C1)C(COCC(N)=O)=O
|
|
| MCULE-7698384693 |
0.61 |
C1(C[C@@H](C(=O)NCC2C=CC=CC=2OC)NC(=O)[C@@H]2CC3=CC=CC=C3CN2)C2C=CC=CC=2NC=1
|
|
| MCULE-3970849606 |
0.61 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CN(C(=O)[C@H]1CCC(=O)N1)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)C1C=CC=CC=1)O
|
|
| MCULE-2267669543 |
0.61 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CN(C(CCC1=CC=C(C=C1)C)=O)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)C1C=CC=CC=1)O
|
|
| MCULE-8019665577 |
0.61 |
C1(CC(C(=O)NCC2C=CC=CC=2OC)NC(=O)C2CC3=CC=CC=C3CN2)C2C=CC=CC=2NC=1
|
|
| MCULE-5523851197 |
0.61 |
N1(CCN([C@H](C1)C(=O)N[C@H](CC1C2C=CC=CC=2NC=1)C(N)=O)C(C1CCCCC1)=O)C(C1=CC=CC(=C1)F)=O
|
|
| MCULE-5070049325 |
0.61 |
C1(C2C=CC=CC=2NC=1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CC1)C(=O)N[C@@H](CC1C2C=CC=CC=2NC=1)C(O)=O
|
|
| MCULE-8139681118 |
0.61 |
C(N[C@@H](C(C)C)C(N[C@@H](CC1C=CC(O)=CC=1)C(N1CCC[C@H]1C(N[C@@H](CC1C2C(=CC=CC=2)NC=1)C(N[C@@H]([C@H](O)C)C(N[C@@H](CCC(N)=O)C(O)=O)=O)=O)=O)=O)=O)([C@H](C(C)C)N)=O
|
|
| MCULE-4311955615 |
0.61 |
N12C[C@@H](C[C@H]1C(=O)NCCCC[C@H](NC(CC1=CC=CN=C1)=O)C(N[C@H](C)C(=O)N[C@@H](CC1C3C=CC=CC=3NC=1)C(=O)N[C@H](CC(C)C)C2=O)=O)O
|
|
| MCULE-7969185908 |
0.61 |
CN1C2=C(C=CC=C2)C(CCC(N2C(C(O)=O)CCCC2)=O)=C1
|
|
| MCULE-9265666087 |
0.61 |
CC1CC(C(=O)O)N(C(CCC2C3C=CC=CC=3N(C)C=2)=O)CC1
|
|
| MCULE-3110770467 |
0.61 |
CN1C2C=CC=CC=2C(CCC(NC(C(=O)O)CC2CC2)=O)=C1
|
|
| MCULE-3207085834 |
0.61 |
CN1C2=C(C=CC=C2)C(CCC(N2[C@@H](C(O)=O)CCCC2)=O)=C1
|
|
| MCULE-9813820361 |
0.61 |
CCN1C(=O)C(CC2C3=C(C=CC=C3)NC=2)NC1=O
|
|
| MCULE-4568546697 |
0.61 |
CC(NC([C@@H](N1CCOCC1)C)=O)CC1C2=C(C=CC=C2)N(C)C=1
|
|
| MCULE-6448342750 |
0.61 |
C(/C=C(/C)\C)(N1CCC(CC1)C1=CN(CC2C=CC(C(F)(F)F)=CC=2)C2C1=CC=CC=2)=O
|
|
| MCULE-4876780028 |
0.61 |
CN1C2C=CC=CC=2C(CCC(NC2(C(=O)O)CCCC2)=O)=C1
|
|
| MCULE-3916955922 |
0.61 |
CCCN1C(C)=C(C(CN2C(=O)C(CC3C4=C(C=CC=C4)NC=3)NC2=O)=O)C=C1C
|
|
| MCULE-3053208710 |
0.61 |
CC(N1C(C)=C(C(CN2C(=O)C(CC3C4=C(C=CC=C4)NC=3)NC2=O)=O)C=C1C)C
|
|
| MCULE-3296344771 |
0.61 |
CCN1C(C)=C(C(CN2C(=O)C(CC3C4=C(C=CC=C4)NC=3)NC2=O)=O)C=C1C
|
|
| MCULE-9470073107 |
0.61 |
C(C(=O)N(C(C)C)CC(N(CC1=C(OC)C=CC=C1)CCC1C2C=CC=CC=2NC=1)=O)CC1C=CC=CC=1
|
|
| MCULE-1397729663 |
0.61 |
CN(C(C(NC(C)=O)CC1C2=C(C=CC=C2)NC=1)=O)CC1=CN(C)N=C1
|
|
| MCULE-8976528703 |
0.61 |
CC(N(C(CN1C(=O)C(CC2C3=C(C=CC=C3)NC=2)NC1=O)=O)CC1=CC=CC=C1)(C)C
|
|
| MCULE-4225072760 |
0.61 |
CN(C(CN1C(=O)C(CC2C3=C(C=CC=C3)NC=2)NC1=O)=O)CC1=CC=CC=C1
|
|
| MCULE-5888924491 |
0.61 |
CN1C2=C(C=CC=C2)C(CCC(N2[C@H](C(N)=O)CC3=C(C=CC=C3)C2)=O)=C1
|
|
| MCULE-5656912742 |
0.61 |
CC(C1=CC=CC=C1)NC(CN1C(=O)C(CC2C3=C(C=CC=C3)NC=2)NC1=O)=O
|
|
| MCULE-4645344534 |
0.61 |
C1(CC(NC(OCC2C=CC=CC=2)=O)C(=O)NC(C)C)C2C=CC=CC=2NC=1
|
|
| MCULE-8929607352 |
0.61 |
OC(C(NC(NCC(N1CCCCCC1)=O)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-6048671264 |
0.61 |
O=C(NCC1=CC=CC=C1)CN1C(=O)C(CC2C3=C(C=CC=C3)NC=2)NC1=O
|
|
| MCULE-7518934113 |
0.61 |
CC(N(C(CN1C(=O)C(CC2C3=C(C=CC=C3)NC=2)NC1=O)=O)CC1=CC=CC=C1)C
|
|
| MCULE-2600867365 |
0.61 |
N[C@H](C(N1CCC(CC(=O)N)CC1)=O)CC1C2C=CC=CC=2NC=1
|
|
| MCULE-4329450526 |
0.61 |
CC(NC([C@H](CC1C2C=CC=CC=2NC=1)N)=O)CC1C=CC=CC=1C
|
|
| MCULE-5103186823 |
0.61 |
CC(C(=O)N[C@@H](C(=O)N1CCC[C@](CC2C=CC=CC=2)(C(=O)N(N(C)C)C)C1)CC1C2C=CC=CC=2NC=1)(N)C
|
|
| MCULE-7368928513 |
0.61 |
C1=CC2C(C[C@@H](NC(C(C)(C)N)=O)C(N3CCC[C@](CC4C=CC=CC=4)(C(=O)N(C)N(C)C)C3)=O)=CNC=2C=C1
|
|
| MCULE-2540036900 |
0.61 |
C12C(NC=C1C[C@](C(N1C[C@@](CC3=CC=CC=C3)(C(N(C)NC)=O)CCC1)=O)(NC(=O)C(C)(C)N)[H])=CC=CC=2
|
|
| MCULE-1160195422 |
0.61 |
N12C[C@H](C[C@H]1C(=O)N[C@@H](CC1C3C=CC=CC=3NC=1)C2=O)NCC1=CC=CC2C=CC=NC1=2
|
|
| MCULE-5916752825 |
0.61 |
C1(C[C@@H](C(NCCCOC)=O)NC(OCC2C=CC=CC=2)=O)C2C=CC=CC=2NC=1
|
|
| MCULE-8969470747 |
0.61 |
C1(=O)N[C@H](C(=O)N[C@H](C(N[C@@]([H])([C@@H](C)CC)C(N2CCCC[C@H]12)=O)=O)CC1C2C=CC=CC=2N(OC)C=1)CCCCCC(=O)CC
|
|
| MCULE-6816270651 |
0.61 |
N1(CCC2(C(CCCC2)C1)O)C(=O)C(CC1C2C=CC=CC=2NC=1)NC(=O)OC(C)(C)C
|
|
| MCULE-6005489731 |
0.61 |
C1(CC(NC(OCC2=CC=CC=C2)=O)C(=O)NC2CCCCC2)C2C=CC=CC=2NC=1
|
|
| MCULE-3464905315 |
0.61 |
N12C[C@H](C[C@H]1C(=O)N[C@@H](CC1C3C=CC=CC=3NC=1)C2=O)NCC1C=CC(=CC=1)Cl
|
|
| MCULE-4001679914 |
0.61 |
C1(C[C@H](N)C(=O)N2CCC(CC2)(CO)O)C2C=CC=CC=2NC=1
|
|
| MCULE-9060531680 |
0.61 |
CC(C(C1C2=C(C=CC=C2)NC=1)=O)N1CCN(CC(N2CCCCCC2)=O)CC1
|
|
| MCULE-9553834406 |
0.61 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CN(C(=O)C1(CCCCC1)C)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)C1C=CC=CC=1)O
|
|
| MCULE-1433637815 |
0.61 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1C=CC=CC=1)C(=O)NCCN(C(C1=CC=NC=C1)=O)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)O
|
|
| MCULE-4910646916 |
0.61 |
C1(=CNC2C=CC=CC1=2)C[C@H](NC(=O)OCC1C=CC=CC=1)C(=O)N[C@H](C(=O)O)CC1=CNC2C=CC=CC1=2
|
|
| MCULE-7098948997 |
0.61 |
CC(C(C(N1CC=C(C2C3=C(C=CC=C3)NC=2)CC1)=O)NC(C1=CC=CC=C1)=O)C
|
|
| MCULE-9563330307 |
0.61 |
N1(CC(=O)N[C@H](CC2C3C=CC=CC=3NC=2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2C=CC(=CC=2)OC)C(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C1)C(CCCN1C=CC=N1)=O
|
|
| MCULE-6267860727 |
0.61 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CN(C(=O)[C@@H]1CC[C@H](CC1)CCC)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)C1C=CC=CC=1)O
|
|
| MCULE-6466761923 |
0.61 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CN(C(C1CCCCCC1)=O)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)C1=CC=CC=C1)O
|
|
| MCULE-5137983143 |
0.61 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CN(C(=O)CC1CC(C)(C)NC(C)(C)C1)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)C1=CC=CC=C1)O
|
|
| MCULE-6511126218 |
0.61 |
O=C([C@H](CC1C2C=CC=CC=2NC=1)NC(=O)[C@H](CC1C2C=CC=CC=2NC=1)NC(=O)OCC1C=CC=CC=1)O
|
|
| MCULE-7994131601 |
0.61 |
OC(=O)C(F)(F)F.C(N[C@@H]([C@H](O)C)C(N[C@@H](CC1C2C(=CC=CC=2)NC=1)C(N[C@@H](CC(C)C)C(N1CCC[C@H]1C(N1CCC[C@H]1C(N[C@@H](CCCNC(N)=N)C(O)=O)=O)=O)=O)=O)=O)([C@H](C)N)=O
|
|
| MCULE-8189518366 |
0.61 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CN(C(=O)CC1CCCC1)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)C1C=CC=CC=1)O
|
|
| MCULE-8780427308 |
0.61 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCN(C(=O)C1C=CC(=CC=1)CCN)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)O
|
|
| MCULE-2284231907 |
0.61 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CN(C(CCC1CCCC1)=O)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)C1=CC=CC=C1)O
|
|
| MCULE-5809109724 |
0.61 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CN(C(C1CCCCC1)=O)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)C1=CC=CC=C1)O
|
|
| MCULE-1766583787 |
0.61 |
N1(CCOC)C2=CC=CC=C2C(CCC(=O)N2CCN(CC2)CC2C=CC=CC=2)=C1
|
|
| MCULE-8667499303 |
0.61 |
N1(CCC2C3C=CC=CC=3NC=2)C(=O)CC(C1=O)C1C2C=CC=CC=2N(CC2=CC=CC=C2)C=1
|
|
| MCULE-1091733830 |
0.61 |
O=C(NC(C(NCC1=CC=CC=C1)=O)CC1=CC=CC=C1)CCCC1C2=C(C=CC=C2)NC=1
|
|
| MCULE-3485667152 |
0.61 |
N1(CCCCCNC(=O)CC1C1=CC=CC=C1)C(=O)CNC(CCC1C2C=CC=CC=2NC=1)=O
|
|
| MCULE-1213488604 |
0.61 |
C1(C[C@@H](C(NCCN2C=CC=N2)=O)NC(=O)OC(C)(C)C)C2C=CC=CC=2N(C)C=1
|
|
| MCULE-6994302204 |
0.61 |
C1(CC(C(NCCN2C=CC=N2)=O)NC(=O)OC(C)(C)C)C2C=CC=CC=2N(C)C=1
|
|
| MCULE-8305960391 |
0.61 |
N1(CCN(CC1)C(CC(C1C=CC=C(Cl)C=1)C1C2C=CC=CC=2N(C=1)CC)=O)C(C1C=CC=CC=1)C1C=CC=CC=1
|
|
| MCULE-6763744658 |
0.61 |
O=C1N([C@H]2[C@H](C3=CC=CC=C3)CCC2)C(=O)[C@H](CC2C3=C(C=CC=C3)NC=2)N1
|
|
| MCULE-5195473352 |
0.61 |
CC(NC(C(N1CCN(C2=NC=CC=N2)CC1)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-7285457984 |
0.61 |
C12(CCCCC1)C(C1C=CC=CC=1)N(C2=O)CC(NCCC1C2C=CC=CC=2NC=1)=O
|
|
| MCULE-4016292839 |
0.61 |
N1(CCCCCNC(=O)CC1C1C=CC=CC=1)C(=O)CNC(=O)CC1C2C=CC=CC=2NC=1
|
|
| MCULE-9312134337 |
0.61 |
N1(CCN(CC1)C(CC(C1C=CC=C(Cl)C=1)C1C2C=CC=CC=2N(C=1)CC)=O)CC1C=CC=CC=1
|
|
| MCULE-4559696808 |
0.61 |
FC1=CC=C(C(NC(C(NCC(F)(F)F)=O)CC2C3=C(C=CC=C3)NC=2)=O)C=C1
|
|
| MCULE-5839918928 |
0.61 |
C1(C(CC(NCCN2CCCC2)=O)C2=CC=C(Cl)C(C(F)(F)F)=C2)C2C=CC=CC=2N(CC2=CC=CC=C2)C=1
|
|
| MCULE-7681225172 |
0.61 |
CC(NC(C(N1CCN(S(C)(=O)=O)CCC1)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-8665529711 |
0.61 |
CN(C(C1CC1)CNC(CCC1C2=C(C=CC=C2)NC=1)=O)C
|
|
| MCULE-6087758879 |
0.61 |
C12C=CC=CC=1NC=C2C[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N)CC1C=CC=CC=1
|
|
| MCULE-7899061642 |
0.61 |
N12C[C@H](C[C@H]1C(=O)N[C@@H](CC1C3C=CC=CC=3NC=1)C2=O)NC(=O)C1C=CC(=CC=1)Cl
|
|
| MCULE-8888259950 |
0.61 |
N1(CCN([C@@H](C1)C(=O)N[C@H](CC1C2C=CC=CC=2NC=1)C(N)=O)C(COC)=O)C(C1=CC=C(C=C1)N(C)C)=O
|
|
| MCULE-5612469214 |
0.61 |
CC(C(NC(CCC1C2C=CC=CC=2N(C)C=1)=O)(CC(=O)O)C)C
|
|
| MCULE-8246591065 |
0.61 |
CN1C2C=CC=CC=2C(CCC(NCC(C(=O)O)CC2C=C(C)C=CC=2)=O)=C1
|
|
| MCULE-7986008857 |
0.61 |
CN1CC(C2=CC=CC=C2)N(C(CCC2C3=C(C=CC=C3)NC=2)=O)CC1
|
|
| MCULE-5682368234 |
0.61 |
CCC(NC(CCC1C2C=CC=CC=2N(C)C=1)=O)(CC(=O)O)CC
|
|
| MCULE-5581428749 |
0.61 |
N1C2C=CC=CC=2C(CCC(=O)NC(CC2C=CC=CC=2)C(O)=O)=C1
|
|
| MCULE-3385682759 |
0.61 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1C=CC=CC=1)C(=O)NCCN(C(=O)[C@@H]1CCCO1)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)O
|
|
| MolPort-009-236-008 |
0.61 |
O=C(CN1C(=O)NC(CC2=CNC3=CC=CC=C23)C1=O)NCC1=CC=CC=C1
|
|
| MolPort-009-163-159 |
0.61 |
CN(CC1=CN(C)N=C1)C(=O)C(CC1=CNC2=CC=CC=C12)NC(C)=O
|
|
| MolPort-004-268-772 |
0.61 |
CN(CC1=CC=CC=C1)C(=O)CN1C(=O)NC(CC2=CNC3=CC=CC=C23)C1=O
|
|
| MolPort-003-183-441 |
0.61 |
CC(C)NC(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)OCC1=CC=CC=C1
|
|
| MolPort-003-198-922 |
0.61 |
CC(C)(C)N(CC1=CC=CC=C1)C(=O)CN1C(=O)NC(CC2=CNC3=CC=CC=C23)C1=O
|
|
| MolPort-005-380-233 |
0.61 |
OC(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)NCC(=O)N1CCCCCC1
|
|
| MolPort-006-444-050 |
0.61 |
COC1=CC=CC=C1CN(CCC1=CNC2=CC=CC=C12)C(=O)CN(C(C)C)C(=O)CCC1=CC=CC=C1
|
|
| MolPort-009-020-387 |
0.61 |
CC(C)N(CC1=CC=CC=C1)C(=O)CN1C(=O)NC(CC2=CNC3=CC=CC=C23)C1=O
|
|
| MolPort-044-585-316 |
0.61 |
CN1C=C(CCC(=O)N2CC3=CC=CC=C3C[C@H]2C(N)=O)C2=CC=CC=C12
|
|
| MolPort-028-806-437 |
0.61 |
CC(NC(=O)CN1C(=O)NC(CC2=CNC3=CC=CC=C23)C1=O)C1=CC=CC=C1
|
|
| MolPort-003-298-319 |
0.61 |
COCCCNC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)OCC1=CC=CC=C1
|
|
| MolPort-046-162-789 |
0.61 |
CC(C)C[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](C(C)C)C(N)=O
|
|
| MolPort-046-573-806 |
0.61 |
C[C@@H]1NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC(=O)CN(C[C@H](NC1=O)C1=CC=CC=C1)C(=O)C1CCCCC1
|
|
| MolPort-046-683-515 |
0.61 |
OC(=O)C(F)(F)F.CC(C)C[C@H](NC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@@H](NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
|
|
| MolPort-005-522-492 |
0.61 |
CC(N1CCN(CC(=O)N2CCCCCC2)CC1)C(=O)C1=CNC2=CC=CC=C12
|
|
| MolPort-046-567-619 |
0.61 |
COC1=CC=C(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC3=CNC4=CC=CC=C34)NC(=O)CN(C[C@@H](NC(=O)[C@@H](C)NC2=O)C(C)C)C(=O)CCCN2C=CC=N2)C=C1
|
|
| MolPort-005-755-280 |
0.61 |
CC(C)C(NC(=O)C1=CC=CC=C1)C(=O)N1CCC(=CC1)C1=CNC2=CC=CC=C12
|
|
| MolPort-046-033-415 |
0.61 |
CC(C)(C)OC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N1CCC2(O)CCCCC2C1
|
|
| MolPort-046-568-938 |
0.61 |
C[C@@H]1NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC(=O)CN(C[C@H](NC1=O)C1=CC=CC=C1)C(=O)C1CCCCCC1
|
|
| MolPort-046-567-823 |
0.61 |
CCC[C@H]1CC[C@@H](CC1)C(=O)N1C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC(=O)C1)C1=CC=CC=C1
|
|
| MolPort-002-496-316 |
0.61 |
OC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)OCC1=CC=CC=C1
|
|
| MolPort-045-932-519 |
0.61 |
O[C@@H]1C[C@@H]2N(C1)C(=O)[C@@H](CC1=CNC3=CC=CC=C13)NC(=O)CN(CCNC(=O)[C@H](CC1=CC=CC=C1)NC2=O)C(=O)C1=CC=NC=C1
|
|
| MolPort-046-570-480 |
0.61 |
C[C@@H]1NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC(=O)CN(C[C@H](NC1=O)C1=CC=CC=C1)C(=O)CCC1CCCC1
|
|
| MolPort-046-570-567 |
0.61 |
C[C@@H]1NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC(=O)CN(C[C@H](NC1=O)C1=CC=CC=C1)C(=O)CC1CC(C)(C)NC(C)(C)C1
|
|
| MolPort-046-570-580 |
0.61 |
C[C@@H]1NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC(=O)CN(C[C@H](NC1=O)C1=CC=CC=C1)C(=O)CC1CCCC1
|
|
| MolPort-046-567-323 |
0.61 |
C[C@@H]1NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC(=O)CN(C[C@H](NC1=O)C1=CC=CC=C1)C(=O)C1(C)CCCCC1
|
|
| MolPort-045-934-851 |
0.61 |
NCCC1=CC=C(C=C1)C(=O)N1CCNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC(=O)C1
|
|
| MolPort-046-793-106 |
0.61 |
CN(C)N(C)C(=O)C1(CC2=CC=CC=C2)CCCN(C1)C(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)C(C)(C)N
|
|
| MolPort-039-139-550 |
0.61 |
CN(C)N(C)C(=O)[C@@]1(CC2=CC=CC=C2)CCCN(C1)C(=O)[C@@H](CC1=CNC2=CC=CC=C12)NC(=O)C(C)(C)N
|
|
| MolPort-020-199-259 |
0.61 |
ClC1=CC=C(CN[C@H]2C[C@@H]3N(C2)C(=O)[C@H](CC2=CNC4=CC=CC=C24)NC3=O)C=C1
|
|
| MolPort-045-908-797 |
0.61 |
O=C1N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)N2C[C@H](C[C@@H]12)NCC1=CC=CC2=CC=CN=C12
|
|
| MolPort-023-222-356 |
0.61 |
CCC(C)[C@H]1NC(=O)[C@H](CC2=CN(OC)C3=CC=CC=C23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O
|
|
| MolPort-007-567-738 |
0.61 |
O=C(NC(CC1=CNC2=CC=CC=C12)C(=O)NC1CCCCC1)OCC1=CC=CC=C1
|
|
| MolPort-027-641-544 |
0.61 |
CC[C@H](C)C1NC(=O)[C@H](CC2=CN(OC)C3=CC=CC=C23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O
|
|
| MolPort-005-944-562 |
0.61 |
CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2=CN(OC)C3=CC=CC=C23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O
|
|
| MolPort-019-901-229 |
0.61 |
N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N1CCC(O)(CO)CC1
|
|
| MolPort-035-765-853 |
0.61 |
CC[C@@H](C)[C@@H]1NC(=O)[C@H](CC2=CN(OC)C3=CC=CC=C23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O
|
|
| MolPort-044-362-977 |
0.61 |
O=C(CCC1=CNC2=CC=CC=C12)NCC(=O)N1CCCCCNC(=O)CC1C1=CC=CC=C1
|
|
| MolPort-004-118-708 |
0.61 |
FC1=CC=C(C=C1)C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)NCC(F)(F)F
|
|
| MolPort-044-325-421 |
0.61 |
O=C(CN1C(C2=CC=CC=C2)C2(CCCCC2)C1=O)NCCC1=CNC2=CC=CC=C12
|
|
| MolPort-002-516-581 |
0.61 |
O=C1CC(C(=O)N1CCC1=CNC2=CC=CC=C12)C1=CN(CC2=CC=CC=C2)C2=CC=CC=C12
|
|
| MolPort-009-511-641 |
0.61 |
CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)N1CCN(CC1)C1=NC=CC=N1
|
|
| MolPort-046-443-560 |
0.61 |
O=C(CCCC1=CNC2=CC=CC=C12)NC(CC1=CC=CC=C1)C(=O)NCC1=CC=CC=C1
|
|
| MolPort-006-486-066 |
0.61 |
CCN1C=C(C(CC(=O)N2CCN(CC3=CC=CC=C3)CC2)C2=CC(Cl)=CC=C2)C2=CC=CC=C12
|
|
| MolPort-044-362-976 |
0.61 |
O=C(CC1=CNC2=CC=CC=C12)NCC(=O)N1CCCCCNC(=O)CC1C1=CC=CC=C1
|
|
| MolPort-042-664-804 |
0.61 |
CN1C=C(CC(NC(=O)OC(C)(C)C)C(=O)NCCN2C=CC=N2)C2=CC=CC=C12
|
|
| MolPort-039-294-659 |
0.61 |
O=C1N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)N1[C@@H]1CCC[C@H]1C1=CC=CC=C1
|
|
| MolPort-028-604-462 |
0.61 |
COCCN1C=C(CCC(=O)N2CCN(CC3=CC=CC=C3)CC2)C2=CC=CC=C12
|
|
| MolPort-039-196-373 |
0.61 |
CN1C=C(C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCN2C=CC=N2)C2=CC=CC=C12
|
|
| MolPort-006-486-062 |
0.61 |
CCN1C=C(C(CC(=O)N2CCN(CC2)C(C2=CC=CC=C2)C2=CC=CC=C2)C2=CC(Cl)=CC=C2)C2=CC=CC=C12
|
|
| MolPort-020-116-684 |
0.61 |
CN(C)C(CNC(=O)CCC1=CNC2=CC=CC=C12)C1CC1
|
|
| MolPort-045-907-670 |
0.61 |
ClC1=CC=C(C=C1)C(=O)N[C@H]1C[C@@H]2N(C1)C(=O)[C@H](CC1=CNC3=CC=CC=C13)NC2=O
|
|
| MolPort-028-890-273 |
0.61 |
FC(F)(F)C1=CC(=CC=C1Cl)C(CC(=O)NCCN1CCCC1)C1=CN(CC2=CC=CC=C2)C2=CC=CC=C12
|
|
| MolPort-009-275-960 |
0.61 |
CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)N1CCCN(CC1)S(C)(=O)=O
|
|
| MolPort-001-755-743 |
0.61 |
COCC(=O)N1CCN(C[C@H]1C(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(N)=O)C(=O)C1=CC=C(C=C1)N(C)C
|
|
| MolPort-019-934-839 |
0.61 |
CC#CCN1C=C2C[C@H](N[C@@H](CC(C)C)C3=C2C1=CC=C3)C(=O)NCC1=CC=CC=C1
|
|
| MolPort-009-371-526 |
0.61 |
CN1CCN(C(C1)C1=CC=CC=C1)C(=O)CCC1=CNC2=CC=CC=C12
|
|
| MolPort-005-648-210 |
0.61 |
CC(NC(=O)C1=CC=CC(C)=C1)C(=O)N1CCC(=CC1)C1=CNC2=CC=CC=C12
|
|
| MolPort-002-532-438 |
0.61 |
OC(=O)C(CC1=CC=CC=C1)NC(=O)CCC1=CNC2=CC=CC=C12
|
|
| MolPort-046-569-817 |
0.61 |
CC(C)C[C@H]1NC(=O)[C@H](CC2=CNC3=CC=CC=C23)NC(=O)[C@@H](C)NC(=O)[C@H](CCCCNC(=O)[C@@H]2C[C@@H](O)CN2C1=O)NC(=O)C1=CC=NC=C1
|
|
| MolPort-023-276-187 |
0.61 |
CC(C)C[C@H](N1CC[C@@]2(CCCN2C(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]2CCC(=O)N2)C1=O)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(N)=O
|
|
| MolPort-045-934-778 |
0.61 |
O[C@@H]1C[C@@H]2N(C1)C(=O)[C@@H](CC1=CNC3=CC=CC=C13)NC(=O)CN(CCNC(=O)[C@H](CC1=CC=CC=C1)NC2=O)C(=O)[C@H]1CCCO1
|
|
| MolPort-045-933-761 |
0.61 |
O[C@@H]1C[C@@H]2N(C1)C(=O)[C@@H](CC1=CNC3=CC=CC=C13)NC(=O)CN(CCNC(=O)[C@H](CC1=CC=CC=C1)NC2=O)C(=O)[C@@H]1CCCO1
|
|
| MolPort-004-221-070 |
0.61 |
O=C(CN1C(=O)NC(CC2=CNC3=CC=CC=C23)C1=O)N(C1CC1)C1=CCCCC1
|
|
| MolPort-004-132-262 |
0.61 |
CN(CC(=O)NC1=CC=CC(F)=C1)C(=O)C(CC1=CNC2=CC=CC=C12)NC(C)=O
|
|
| MolPort-006-501-566 |
0.61 |
FC(F)(F)C1=CC=C(C=C1)C(CC(=O)NCCN1CCCC1)C1=CN(CC2=CC=CC=C2)C2=CC=CC=C12
|
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| MolPort-005-380-232 |
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CN1CCN(CCCNC(=O)CCC2=CN(CC3=C(Cl)C=CC=C3)C3=CC=CC=C23)CC1
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CC1(C)C[C@@H]1C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O
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O=C(CC1=CNC2=CC=CC=C12)N1CCCN(C(CC(=O)NCC1)C1=CC=CC=C1)C(=O)C1CC1
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CC1(C)C(C(=O)NC(CC2=CNC3=CC=CC=C23)C(O)=O)C1(C)C
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C[C@H](NC(=O)N1CCN(CC1)C(=O)CCC1=CNC2=CC=CC=C12)C(O)=O
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FC1=CC=C(C=C1)C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)NCC1=CC=CC=C1F
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CCN(C1CC(=O)NC1=O)C(=O)CCC1=CNC2=C(C)C=CC=C12
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CC(=O)NC(CC1=CNC2=CC(F)=CC=C12)C(=O)NCCC(=O)NC(N)=O
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CC(C1CC1)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O
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COCCN(CCOC)C(=O)CN1C(=O)NC(CC2=CNC3=CC=CC=C23)C1=O
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CN(C)C(=O)CN1CCN(CC1)C(=O)CC1=CN(C)C2=CC=CC=C12
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CCCCCCCCCCCC(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O
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CC(C)C(=O)N1CCN(CC1)C(=O)CCC1=CNC2=CC=CC=C12
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CCC(C)C(NC(=O)CN)C(=O)NCC(=O)NC(C)C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NC(C(C)O)C(=O)NC(C(C)O)C(=O)NCC(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(C(C)CC)C(=O)NC(CO)C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)NC(C(C)CC)C(=O)NC(CCCCN)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCC(N)=O)C(=O)NC(CCC(N)=O)C(N)=O
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CC#CCN1C=C2C[C@H](N[C@@H](CC(C)C)C3=C2C1=CC=C3)C(=O)N1CCC(O)CC1
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OC(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)CCCCCCCCC(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O
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CC1CCCCC1NC(=O)CNC(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O
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CC(NC(C(N1CCC(C2NC3=C(C=CC=C3)N=2)CC1)=O)CC1C2=C(C=CC=C2)NC=1)=O
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C1(C[C@@H](C(O)=O)NC(=O)[C@@H]2CC3=CC=CC=C3CN2)C2C=CC=CC=2NC=1
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CC(NC(C(N1CC(CC(=O)O)OCC1)=O)CC1C2C=CC=CC=2NC=1)=O
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| MCULE-9586403462 |
0.60 |
N1(CC(=O)N[C@H](CC2C3C=CC=CC=3NC=2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CC=C(C=C2)OC)C(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C1)C(=O)C1C=CC(=CC=1)C#N
|
|
| MCULE-2097301651 |
0.60 |
C1C(=CC=C(CNC(=O)[C@@H]2CC3=CN(C4C=CC=C([C@@H](N2)CC(C)C)C3=4)CC2CC2)C=1)OC
|
|
| MCULE-5786675829 |
0.60 |
C(NC(=O)[C@@H]1CC2=CN(C3C=CC=C([C@@H](N1)CC(C)C)C2=3)CC1=NC=CC=C1)CN(C)C
|
|
| MCULE-4821748235 |
0.60 |
O=C(C1SC=CC=1)NC(C(N1CC=C(C2=CC=CC=C2)CC1)=O)CC1C2=C(C=CC=C2)NC=1
|
|
| MCULE-1716749567 |
0.60 |
CN(C(CN1CCN(C(CC2C3=C(C=CC=C3)N(C)C=2)=O)CC1)=O)C
|
|
| MCULE-5545885027 |
0.60 |
CCC1(C(C(NC(C(=O)O)CC2C3C=CC=CC=3NC=2)=O)C1)C
|
|
| MCULE-3102260813 |
0.60 |
N1(CCN(CC1)C(C)=O)C(=O)CCC1C2=CC=CC=C2NC=1
|
|
| MCULE-9789328470 |
0.60 |
NC(NC(C(NCC1=CC=C(F)C=C1)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-3556913267 |
0.60 |
N1(C2CCCC2)CCN(CC1CCO)C(=O)CCC1C2=CC=CC=C2NC=1
|
|
| MCULE-2193749616 |
0.60 |
C1(C(C2CCCCC2)CC(NCCN2CCCC2)=O)C2=CC=CC=C2N(CC2=CC=CC=C2)C=1
|
|
| MCULE-9605324004 |
0.60 |
N1(CCN(CC1)CC)C(=O)CCC1C2C=CC=CC=2NC=1
|
|
| MCULE-6846014182 |
0.60 |
CCN1C2C=CC=CC=2C(CC(N2C[C@@H](C3C=CC=CC=3)[C@@H](C(=O)O)C2)=O)=C1
|
|
| MCULE-9599330064 |
0.60 |
N1(CCN(CC1)C(=O)CCC1C2=CC=CC=C2NC=1)C(C(C)C)=O
|
|
| MCULE-1586427920 |
0.60 |
CC(NC([C@@H]1[C@@H](C)C1)=O)CC1C2=C(C=CC=C2)N(C)C=1
|
|
| MCULE-4577084177 |
0.60 |
COC(CNC([C@H](CC1C2C=CC=CC=2NC=1)N)=O)(C)C
|
|
| MCULE-9361585257 |
0.60 |
N1(CCCC(C1)N(C)CC1=CC=CC=C1)C(=O)CCC1C2=CC=CC=C2NC=1
|
|
| MCULE-1297170365 |
0.60 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CN(C1CCN(CC1)C)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)C1=CC=CC=C1)O
|
|
| MCULE-4519713839 |
0.60 |
N1(CCN(C(=O)C1C)C)C(=O)CC1C2C=CC=CC=2N(C)C=1
|
|
| MCULE-8847897752 |
0.60 |
C(/C=C(/C)\C)(N1CCC(CC1)C1=CN(CC2C=C(F)C=CC=2)C2C1=CC=CC=2)=O
|
|
| MCULE-4979169942 |
0.60 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CN(C(=O)C1=CC=CN=C1)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)C1=CC=CC=C1)O
|
|
| MCULE-4028096963 |
0.60 |
CCC1C=CC=C2C=1NC=C2CCNC(CNC([C@H](C(C)C)N)=O)=O
|
|
| MCULE-6576118016 |
0.60 |
COC(CNC([C@H](CC1C2C=CC=CC=2NC=1)N)=O)C
|
|
| MCULE-6531731342 |
0.60 |
OC(C(NC(CCC1CC1)=O)CC1C2C=CC=CC=2NC=1)=O
|
|
| MCULE-2142379939 |
0.60 |
C(CCC)NC(CC(C1C=CC=C(C)C=1)C1C2C=CC=CC=2N(C=1)CC)=O
|
|
| MCULE-3458709724 |
0.60 |
C1(CC(NC(CCCCCCCCCCC)=O)C(O)=O)C2C=CC=CC=2NC=1
|
|
| MCULE-6290141948 |
0.60 |
CC([C@@H](C(=O)O)NC(CCC1C2C=CC=CC=2NC=1)=O)C
|
|
| MCULE-4818852556 |
0.60 |
C1(C(C2CCCCC2)CC(=O)N2CCN(CC2)CC)C2=CC=CC=C2N(CC2=CC=CC=C2)C=1
|
|
| MCULE-5562776340 |
0.60 |
N1(CC[C@@H]([C@H](N(C)C)C1)CO)C(=O)CCC1C2C=CC=CC=2NC=1
|
|
| MCULE-3734147550 |
0.60 |
C(N)C(N[C@@H](C(NCC(N[C@H](C(N[C@@H](C(C)C)C(N[C@H](CC(C)C)C(N[C@@H](CCCCN)C(N[C@H](C(C)C)C(N[C@@H](CC(C)C)C(N[C@@H]([C@@H](O)C)C(N[C@@H]([C@H](O)C)C(NCC(N[C@@H](CC(C)C)C(N1[C@@H](CCC1)C(N[C@@H](C(N[C@H](CC(C)C)C(N[C@@H](C(N[C@@H](CO)C(N[C@H](C(N[C@H](C(N[C@H](CCCCN)C(N[C@H](CCCNC(N)=N)C(N[C@H](CCCCN)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCC(N)=O)C(N[C@@H](CCC(N)=O)C(N)=O)=O)=O)=O)=O)=O)=O)[C@H](C)CC)=O)CC1C2C=CC=CC=2NC=1)=O)=O)[C@H](C)CC)=O)=O)C)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)C)=O)=O)[C@@H](C)CC)=O
|
|
| MCULE-8676561210 |
0.60 |
N1(CCN(CC1)C(=O)CCC1C2=CC=CC=C2NC=1)C(=O)CC(C)C
|
|
| MCULE-9554319835 |
0.60 |
C1(C2=CC=CC=C2N(CC2=CC=CC=C2)C=1)C(CC(=O)N1CCN(CC1)CC)C1=CC(C)=CC=C1F
|
|
| MCULE-1931666239 |
0.60 |
CS(N1CCN(C([C@H](CC2C3C=CC=CC=3NC=2)N)=O)CC1)(=O)=O
|
|
| MCULE-7753178859 |
0.60 |
C1(C[C@@H](C(O)=O)NC(=O)C2CCN(CC2)C(=O)CNC(=O)OC(C)(C)C)C2C=CC=CC=2NC=1
|
|
| MCULE-4232209364 |
0.60 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CN(C(=O)CCC1=CC=CC=C1C)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)C1C=CC=CC=1)O
|
|
| MCULE-1217688814 |
0.60 |
CCC(C(=O)O)(NC(CCC1C2C=CC=CC=2NC=1)=O)C
|
|
| MCULE-4775347679 |
0.60 |
N1(C)[C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NCCN(CC2=NC=CN2C)CC(=O)N[C@@H](CC2C3C=CC=CC=3NC=2)C1=O
|
|
| MCULE-6843878394 |
0.60 |
C1(C[C@H](N)C(=O)N(CC=C)CC2C=CC=C(OC)C=2)C2C=CC=CC=2NC=1
|
|
| MCULE-9936689685 |
0.60 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CN(C(CCC(NC)=O)=O)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)C1=CC=CC=C1)O
|
|
| MCULE-8481695911 |
0.60 |
CCOC(C1CCN(C([C@H](CC2C3C=CC=CC=3NC=2)N)=O)CC1)=O
|
|
| MCULE-8280954159 |
0.60 |
C1(C2C=CC=CC=2NC=1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CC1)C(=O)NCC(=O)NCC1C=CC=CC=1OC
|
|
| MCULE-9087222368 |
0.60 |
C1(CC(NC(CCCCCCCCC(=O)NC(CC2C3=CC=CC=C3NC=2)C(O)=O)=O)C(O)=O)C2C=CC=CC=2NC=1
|
|
| MCULE-8909378467 |
0.60 |
CC([C@@H](C(NCC(NCCC1C2C=CC=C(C)C=2NC=1)=O)=O)N)C
|
|
| MCULE-3762328047 |
0.60 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCN(C(=O)C1=CC=CN=C1)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)O
|
|
| MCULE-8351954660 |
0.60 |
C1CC(CCN1C(=O)[C@@H]1CC2=CN(C3C=CC=C([C@@H](N1)CC(C)C)C2=3)CC#CC)O
|
|
| MCULE-1177544992 |
0.60 |
OC(C(NC(NCC(NC1CCCCCC1)=O)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-5478279326 |
0.60 |
CC(C(NCCC1C2C=CC=CC=2NC=1)=O)N1CC(C(=O)O)CC1
|
|
| MCULE-8036169577 |
0.60 |
FC1=CC=C(CCNC(CN2C(=O)C(CC3C4=C(C=CC=C4)NC=3)NC2=O)=O)C=C1
|
|
| MCULE-4986747038 |
0.60 |
N1(CCN(CC1)C(=O)CCC1C2C=CC=CC=2NC=1)C(=O)CCC1C2C=CC=CC=2NC=1
|
|
| MCULE-1423978654 |
0.60 |
N12C[C@@H](C[C@H]1C(=O)N[C@H](C(C)C)CC[C@@H](C)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)NC(COCC1=CC=CC=C1)=O
|
|
| MCULE-1918962428 |
0.60 |
OC(C(NC(C1CCCC1)=O)CC1C2C=CC=CC=2NC=1)=O
|
|
| MCULE-4346347672 |
0.60 |
C1(C[C@@H](C(O)=O)NC(=O)C2CCN(CC2)C(=O)[C@H](C)NC(=O)OC(C)(C)C)C2C=CC=CC=2NC=1
|
|
| MCULE-5091491082 |
0.60 |
N1(CCN(CC1)C(CCC1C=CC=CC=1)=O)C(=O)CCC1C2=CC=CC=C2NC=1
|
|
| MCULE-7603241980 |
0.60 |
N1C2=CC=CC=C2C(CCC(=O)NC(CC)C(O)=O)=C1
|
|
| MCULE-5668587872 |
0.60 |
CC(C(=O)O)N(C(CCC1C2C=CC=CC=2NC=1)=O)C1CC1
|
|
| MCULE-5844226882 |
0.60 |
CCCCC(C(NC(C(=O)O)CC1C2C=CC=CC=2NC=1)=O)CC
|
|
| MCULE-1339925335 |
0.60 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CN(C1CCN(CC1)CCC)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)C1=CC=CC=C1)O
|
|
| MCULE-5389167203 |
0.60 |
N1C2=CC=CC=C2C(CCC(=O)N2CCNCC2)=C1
|
|
| MCULE-1404606007 |
0.60 |
CN1C2C=CC=CC=2C(CCC(NC(C(=O)O)COCC=C)=O)=C1
|
|
| MCULE-1626337925 |
0.60 |
OC(C(NC(C1C2(CC2)C1)=O)CC1C2C=CC=CC=2NC=1)=O
|
|
| MCULE-5189861744 |
0.60 |
CCCC(C(=O)O)CNC(CCC1C2C=CC=CC=2N(C)C=1)=O
|
|
| MCULE-5786550367 |
0.60 |
CC1C(NC(CNC(NC(C(O)=O)CC2C3=C(C=CC=C3)NC=2)=O)=O)CCCC1
|
|
| MCULE-4551931586 |
0.60 |
CCC(N1C(C(N2CCC(C3C4=C(C(=CC=C4)CC)NC=3)CC2)=O)CCCC1)=O
|
|
| MCULE-7471825395 |
0.60 |
CC([C@H](C(=O)O)NC(CCC1C2C=CC=CC=2NC=1)=O)C
|
|
| MCULE-4257879396 |
0.60 |
CN(C(CC1C2=C(C=CC=C2)N(C)C=1)=O)CC(NC1CC1)=O
|
|
| MCULE-7206602232 |
0.60 |
CC(CC(C(=O)O)CNC(CCC1C2C=CC=CC=2N(C)C=1)=O)C
|
|
| MCULE-3725500362 |
0.60 |
N1C2C=CC=CC=2C(CCC(=O)NC(C(C)C)C(O)=O)=C1
|
|
| MCULE-1683632301 |
0.60 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CN(C(=O)CC1C=CC(=CC=1)C(C)C)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)C1C=CC=CC=1)O
|
|
| MCULE-7689306287 |
0.60 |
N1([C@@H](C[C@@H](C1)NC(NC1=CC=C(C=C1)OC)=O)C(=O)N[C@@H](C(N)=O)CC1=CNC2=C1C=CC=C2)C(/C=C(\C)/C)=O
|
|
| MCULE-8107752926 |
0.60 |
N1(C(C)C)C2C=CC=CC=2C(CC(C(NCCN2C3C=CC=CC=3N=C2)=O)NC(=O)OC(C)(C)C)=C1
|
|
| MCULE-2540805760 |
0.60 |
COCCCN1C(C)=C(C(CN2C(=O)C(CC3C4=C(C=CC=C4)NC=3)NC2=O)=O)C=C1C
|
|
| MCULE-8921685386 |
0.60 |
S(=O)(=O)(CCNC(=O)[C@H](CC1C2C=CC=CC=2N(C)C=1)NC(=O)OC(C)(C)C)N(C)C
|
|
| MCULE-3448210803 |
0.60 |
S(=O)(=O)(CCNC(=O)C(CC1C2C=CC=CC=2N(C)C=1)NC(=O)OC(C)(C)C)N(C)C
|
|
| MCULE-6965669926 |
0.60 |
N12C[C@@H](C[C@H]1C(=O)NCCCC[C@H](NC(=O)C1=CC=CN=C1)C(N[C@H](C)C(=O)N[C@@H](CC1C3C=CC=CC=3NC=1)C(=O)N[C@H](CC(C)C)C2=O)=O)O
|
|
| MCULE-8142568767 |
0.60 |
N1(C(C)C)C2C=CC=CC=2C(C[C@@H](C(NCCN2C3C=CC=CC=3N=C2)=O)NC(=O)OC(C)(C)C)=C1
|
|
| MCULE-4189254339 |
0.60 |
N1(C)[C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NCCN(CC2=CC3OCCCOC=3C=C2OC)CC(=O)N[C@@H](CC2C3C=CC=CC=3NC=2)C1=O
|
|
| MCULE-1772552471 |
0.60 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CN(C(C1=CC=NC=C1)=O)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)C1C=CC=CC=1)O
|
|
| MCULE-1038333373 |
0.60 |
S(N)(=O)(=O)C1=CC=C(C=C1)CCNC(=O)C(CC1C2C=CC=CC=2NC=1)NC(OCC)=O
|
|
| MCULE-3476332404 |
0.60 |
C1(=O)[C@H](CC2C3C=CC=CC=3NC=2)NC(=O)[C@H](CC2=CC=C(C=C2)OCCNC(=O)[C@H](C(C)C)NC(=O)CN1CCOC)NC(C1CCC1)=O
|
|
| MCULE-5917959096 |
0.60 |
C1(C2C=CC=CC=2NC=1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CC1)C(=O)N1CCC(CC1)(C1=CC=CC=C1)C(O)=O
|
|
| MCULE-2792511854 |
0.60 |
C1(=O)[C@H](CC2C3C=CC=CC=3NC=2)NC(=O)[C@H](CC2C=CC(=CC=2)OCCNC(=O)[C@H](C(C)C)NC(=O)CN1CCOC)NC(CC1CC1)=O
|
|
| MCULE-9855933334 |
0.60 |
COC(C(NC(C(NC(C)=O)CC1C2=C(C=C(C=C2)F)NC=1)=O)CCF)=O
|
|
| MCULE-5932988871 |
0.60 |
NC(C1CCN(C(C(NC(OCC2=CC=CC=C2)=O)CC2C3=C(C=CC=C3)NC=2)=O)CC1)=O
|
|
| MCULE-4669712732 |
0.60 |
N12C[C@@H](C[C@H]1C(=O)N[C@H](C(C)C)CC[C@@H](C)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)NC(=O)C1(CCC1)C1=CC=C(C=C1)Cl
|
|
| MCULE-6268552178 |
0.60 |
FC1=C(CNC(C(NC(C2=C(Cl)C=CC=C2)=O)CC2C3=C(C=CC=C3)NC=2)=O)C=CC=C1
|
|
| MCULE-5401979444 |
0.60 |
N1(CCN(CC1)C(CC(C1C=CC(C)=CC=1)C1=CN(C)C2=C1C=CC=C2)=O)C1=CC=CC(Cl)=C1
|
|
| MCULE-2543819662 |
0.60 |
N1(CC2C=CC(=CC=2)C)C2=CC=CC=C2C(CCC(=O)N2CCN(CC2)C2C=CC=C(Cl)C=2)=C1
|
|
| MCULE-6065501264 |
0.60 |
C1(C2=CC=CC=C2N(CC2=CC=C(C=C2)F)C=1)C(CC(NCCN1CCCC1)=O)C1=CC=CC=C1F
|
|
| MCULE-7089952153 |
0.60 |
S(C)(=O)(=O)N1CCN(CC1)C(=O)CCC1C2=CC=CC=C2N(C(C)C)C=1
|
|
| MCULE-7064266566 |
0.60 |
C1(C[C@H](NC(CCC2C3C=CC=CC=3NC=2)=O)C(O)=O)=CNC2C=CC(O)=CC1=2
|
|
| MCULE-7690699316 |
0.60 |
N1(C)C2=CC=CC=C2C(CCC(=O)N2CCN(CC2)CCC2=CC=CC=N2)=C1
|
|
| MCULE-6637332346 |
0.60 |
N1(C(C)C)C2=CC=CC=C2C(CCC(=O)NCC(=O)C2=CC=C(C=C2)OC)=C1
|
|
| MCULE-4055308316 |
0.60 |
C1(C2=CC=CC=C2N(C)C=1)C(C1=CC=CC=C1F)CC(=O)N1CCN(CC1)CC
|
|
| MCULE-6840296287 |
0.60 |
CN1C2C=CC=CC=2C(CCC(N(CC2C=CC=CC=2)CCCC(=O)O)=O)=C1
|
|
| MCULE-3884069215 |
0.60 |
N1(CN(C)C)C2=CC=CC=C2C(CCC(=O)N2CCN(CC2)C)=C1
|
|
| MCULE-2338497630 |
0.60 |
COCC1CN(C([C@H](CC2C3C=CC=CC=3NC=2)N)=O)CC1
|
|
| MCULE-7535168470 |
0.60 |
CC(C(NCCC1C2C=CC=CC=2NC=1)=O)N1CC(C(=O)O)CCC1
|
|
| MCULE-5490363475 |
0.60 |
CC(NC(C(NCC1=CC=C(OCC(F)(F)F)C=C1)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-3907057407 |
0.60 |
N[C@H](C(NCC1CCOCC1)=O)CC1C2C=CC=CC=2NC=1
|
|
| MCULE-3881195276 |
0.60 |
N1(CCCCC1)CCNC(CC(C1C=CC=C(Cl)C=1)C1C2=CC=CC=C2N(C=1)CC1C=CC(=CC=1)C)=O
|
|
| MCULE-3600264469 |
0.60 |
NC(C(NC1CCN(CC2=CC=CC=C2)CC1)=O)CC1C2=C(C=CC=C2)NC=1
|
|
| MCULE-9586445653 |
0.60 |
CNC([C@@H](NC(C1=CC2=C(NN=C2)C=C1)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-6365250276 |
0.60 |
C1N(CCNC(=O)[C@@H]2CC3=CN(C4C=CC=C([C@@H](N2)CC(C)C)C3=4)CC#CC)CCOC1
|
|
| MCULE-3796890801 |
0.60 |
CCC1(CCN(CC(NC(C(OC)=O)CC2C3=C(C=CC=C3)NC=2)=O)CC1)CO
|
|
| MCULE-8715907398 |
0.60 |
CC(C(C(N1CC=C(C2C3=C(C=CC=C3)NC=2)CC1)=O)NC(C1=CC=C(Cl)C=C1)=O)C
|
|
| MCULE-4665148905 |
0.60 |
C1(C(=O)N(CCCOC)CC(N(CC2=CC=CC=C2)CCC2C3C=CC=CC=3NC=2)=O)C[C@H]1C1C=CC=CC=1
|
|
| MCULE-7255231441 |
0.60 |
N1(C)[C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NCCN(CC2C=C(N(CC)C=2)C#N)CC(=O)N[C@@H](CC2C3C=CC=CC=3NC=2)C1=O
|
|
| MCULE-7856397672 |
0.60 |
CC(NC(C(NC(C#N)CO)=O)CC1C2=C(C=C(C=C2)F)NC=1)=O
|
|
| MCULE-9582211389 |
0.60 |
N1(CCNC(=O)[C@H](CC2C=CC=CC=2)NC([C@H](C)NC(=O)[C@@H](CC2C3C=CC=CC=3NC=2)NC(=O)[C@H]1C)=O)C(=O)C1=CSC=N1
|
|
| MCULE-7506614816 |
0.60 |
C(C1C=CC(Cl)=CC=1)(=O)NCC(=O)NC(CC1C2C=CC=CC=2NC=1)C(=O)O
|
|
| MCULE-9478904841 |
0.60 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCN(CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)C(=O)C1C=CNC=1)O
|
|
| MCULE-2007811393 |
0.60 |
C1(C(=O)C2CC2)C2=CC=CC=C2N(CC(=O)N[C@H]2CCCNC(=O)CN(C)C(=O)[C@@H](NC(=O)[C@@H](C)NC(=O)[C@@H](C(C)C)NC2=O)CC2=CC=CC=C2)C=1
|
|
| MCULE-1728992924 |
0.60 |
C1COCCN1C(=O)[C@@H]1CC2=CN(C3C=CC=C([C@@H](N1)CC(C)C)C2=3)CC1CC1
|
|
| MCULE-2941878103 |
0.60 |
C1(=O)[C@H](CC2C3C=CC=CC=3NC=2)NC(=O)[C@H](CC2C=CC(=CC=2)OCCNC(=O)[C@H](C(C)C)NC(=O)CN1CCOC)NC(=O)CN1CCCCCC1
|
|
| MCULE-3573946030 |
0.60 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CN(C(=O)C1C=CC(=CC=1)F)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)C1=CC=CC=C1)O
|
|
| MCULE-1748588647 |
0.60 |
C1(CC(NC(=O)OC(C)(C)C)C(=O)NC2C=CC(=CC=2)N2CCN(CC2)C)C2C=CC=CC=2N(C)C=1
|
|
| MCULE-5291198692 |
0.60 |
C#CCNC(=O)[C@@H]1CC2=CN(C3C=CC=C([C@@H](N1)CC(C)C)C2=3)CC#CC
|
|
| MCULE-7994636073 |
0.60 |
C1(C[C@@H](C(O)=O)NC(=O)C2CCN(CC2)C(=O)[C@H](CC2C=CC=CC=2)NC(=O)OC(C)(C)C)C2C=CC=CC=2NC=1
|
|
| MCULE-3081410093 |
0.60 |
C1(=O)[C@H](CC2C3C=CC=CC=3NC=2)NC(=O)[C@H](CC2=CC=C(C=C2)OCCNC(=O)[C@H](C(C)C)NC(=O)CN1CCOC)NC(CCC1(C)CC1)=O
|
|
| MCULE-2725399041 |
0.60 |
C1(C[C@H](NC(=O)OC(C)(C)C)C(=O)NC2C=CC(=CC=2)N2CCN(CC2)C)C2C=CC=CC=2N(C)C=1
|
|
| MCULE-3085272845 |
0.60 |
N12C[C@H](C[C@H]1C(=O)N[C@@H](CC1C3C=CC=CC=3NC=1)C2=O)NCC1=CC=CC(=C1)SC
|
|
| MCULE-7878638828 |
0.60 |
N12C[C@H](C[C@H]1C(=O)N[C@@H](CC1C3C=CC=CC=3NC=1)C2=O)NC(=O)C1C=CC(=CC=1)Br
|
|
| MCULE-1018138922 |
0.60 |
N1(CC(=O)N[C@H](CC2C3C=CC=CC=3NC=2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CC=C(C=C2)OC)C(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C1)C(=O)C1C=CC=CC=1F
|
|
| MCULE-8404214064 |
0.60 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCN(C(=O)CN(C)CC1C=CC=NC=1)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)O
|
|
| MCULE-6533899241 |
0.60 |
C1(=CNC2C=CC=CC1=2)CC(NC(=O)OCC1C=CC=CC=1)C(=O)NC(C)C(=O)OC
|
|
| MCULE-8200444547 |
0.60 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1C=CC=CC=1)C(=O)NCCN(CC1C=CC=NC=1)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)O
|
|
| MCULE-1978571711 |
0.60 |
C1(C(=O)C2CC2)C2=CC=CC=C2N(CC(=O)N2CC=CC2CCCC)C=1
|
|
| MCULE-1529959866 |
0.60 |
C1(CC(NC(=O)OC(C)(C)C)C(=O)N2CCN(CC2)C2C=CC=CC=2OC)C2C=CC=CC=2N(C)C=1
|
|
| MCULE-6056982029 |
0.60 |
Cl.C1(C[C@@H](C(O)=O)NC(=O)[C@@H]2CC3=CC=CC=C3CN2)C2C=CC=CC=2NC=1
|
|
| MCULE-1205668454 |
0.60 |
C1(C[C@H](NC(=O)OC(C)(C)C)C(=O)N2CCN(CC2)C2C=CC=CC=2OC)C2C=CC=CC=2N(C)C=1
|
|
| MCULE-8723783061 |
0.60 |
CC(C1=CC=C(N2C=NC=C2)C=C1)NC(C(NC(C)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-1037884083 |
0.60 |
N1(CCN(CC1)C(CC(C1C=CC=C(C=1)OC1C=CC=CC=1)C1C2=CC=CC=C2N(C=1)CC1C=CC=CC=1)=O)CC=CC1C=CC=CC=1
|
|
| MCULE-9782995835 |
0.60 |
CC(C1=CC=C(S(N)(=O)=O)C=C1)NC(C(NC(C)=O)CC1C2C=CC=CC=2NC=1)=O
|
|
| MCULE-3342395953 |
0.60 |
COCCNC(=O)[C@@H]1CC2=CN(C3C=CC=C([C@@H](N1)CC(C)C)C2=3)CC1=CC=NC=C1
|
|
| MCULE-4426791593 |
0.60 |
C(=O)(OC(C)(C)C)N[C@@H](CC1C=CC=CC=1)C(=O)NC[C@H]1CC[C@@H](CC1)C(NCCC1C2C=CC=CC=2NC=1)=O
|
|
| MCULE-6586507941 |
0.60 |
CCC(C(C(N1CC=C(C2C3=C(C=CC=C3)NC=2)CC1)=O)NC(C1=CC=CC=C1)=O)C
|
|
| MCULE-4956968634 |
0.60 |
N1(CCCC1)CCNC(CC(C1=CC=C(C=C1)F)C1C2=CC=CC=C2N(C=1)CC1C=CC(=CC=1)C)=O
|
|
| MCULE-1255336334 |
0.60 |
C1N(C(=O)[C@@H]2CC3=CN(C4C=CC=C([C@@H](N2)CC(C)C)C3=4)CC#CC)CCN(CCOC)C1
|
|
| MCULE-8992530815 |
0.60 |
N(C)(C)CCNC(CC(C1=CC=C(C=C1)F)C1C2=CC=CC=C2N(C=1)CC1C=CC(=CC=1)C)=O
|
|
| MCULE-7212995526 |
0.60 |
N1C2C=CC=CC=2C(CCC(NCCNC(CCC2C3=CC=CC=C3NC=2)=O)=O)=C1
|
|
| MCULE-8518480020 |
0.60 |
N1(CCCCC1)CCNC(CC(C1=CC=C(C=C1)F)C1C2=CC=CC=C2N(C=1)CC1C=CC=CC=1)=O
|
|
| MCULE-4431118994 |
0.60 |
CN1C2=C(C=CC=C2)C(CC(N[C@@H](C(C)(C)C)C(N)=O)=O)=C1
|
|
| MCULE-9070915165 |
0.60 |
N[C@H](C(NCCN1CCSCC1)=O)CC1C2C=CC=CC=2NC=1
|
|
| MCULE-6718239494 |
0.60 |
N1C2C=CC=CC=2C(CCC(=O)NCC2CCCN2CC)=C1
|
|
| MCULE-7783923120 |
0.60 |
C(=O)(CC1C2=CC=CC=C2NC=1)N1CC=CC1CCCC
|
|
| MCULE-9972857542 |
0.60 |
C(C)(CC)NC(CC(C1C=CC=C(C)C=1)C1C2C=CC=CC=2N(C=1)CC)=O
|
|
| MCULE-7907051340 |
0.60 |
C(N(CCC)C(CC(C1C=CC=C(C)C=1)C1C2=CC=CC=C2N(C=1)CC1C=CC(=CC=1)C)=O)CC
|
|
| MCULE-9396797403 |
0.60 |
N[C@H](C(NC1CCC(C(=O)N)CC1)=O)CC1C2C=CC=CC=2NC=1
|
|
| MCULE-9028553250 |
0.60 |
C(NC(CC(C1C=CC=C(C)C=1)C1C2=CC=CC=C2N(C=1)CC1C=CC(=CC=1)C)=O)C(C)C
|
|
| MCULE-1954839628 |
0.60 |
N[C@H](C(NCCC(N1CCCCC1)=O)=O)CC1C2C=CC=CC=2NC=1
|
|
| MCULE-6633712173 |
0.60 |
CC(C(F)(F)F)(CC(NC(C(=O)O)CC1C2C=CC=CC=2NC=1)=O)C
|
|
| MCULE-9378128409 |
0.60 |
N1(CC)C2=CC=CC=C2C(CCC(NCCC2C=CC(=CC=2)Cl)=O)=C1
|
|
| MCULE-5502359927 |
0.60 |
C(NC(CC(C1C=CC=C(C)C=1)C1C2=CC=CC=C2N(C=1)CC1C=CC(=CC=1)C)=O)CC
|
|
| MCULE-4411295200 |
0.60 |
N[C@H](C(N1CC(C(F)(F)F)CCC1)=O)CC1C2C=CC=CC=2NC=1
|
|
| MCULE-2115963066 |
0.60 |
C(NC(CC(C1C=CC=C(C)C=1)C1C2=CC=CC=C2N(C=1)CC1C=CC(=CC=1)C)=O)(C)CC
|
|
| MCULE-6018019042 |
0.60 |
CC1N(C)CCC(NC([C@H](CC2C3C=CC=CC=3NC=2)N)=O)C1
|
|
| MCULE-8680953184 |
0.60 |
COCC1CN(C([C@H](CC2C3C=CC=CC=3NC=2)N)=O)CCC1
|
|
| MCULE-6190048946 |
0.60 |
C1(=CC=CC=C1)CCNC(CC(C1C=CC(C)=CC=1)C1=CN(C)C2=C1C=CC=C2)=O
|
|
| MCULE-4630026204 |
0.60 |
CC(C(NC(CC1C2=C(C=CC=C2)NC=1)CO)=O)N1C(C)CCC1C
|
|
| MCULE-1633523269 |
0.60 |
C(C(C)C)NC(CC(C1C=CC=C(C)C=1)C1C2C=CC=CC=2N(C=1)CC)=O
|
|
| MCULE-1427677179 |
0.60 |
CN1C(=O)CC[C@@H]1C(NCCC1C2=C(C(=CC=C2)C)N(C)C=1)=O
|
|
| MCULE-4508223426 |
0.60 |
C(CC)NC(CC(C1C=CC=C(C)C=1)C1C2C=CC=CC=2N(C=1)CC)=O
|
|
| MCULE-5835564377 |
0.60 |
OC(C(NC(CCC(F)(F)F)=O)CC1C2C=CC=CC=2NC=1)=O
|
|
| MCULE-1844100147 |
0.60 |
N1(C[C@H]([C@H](C2=CC=C(C=C2)C)C1)N(C)C)C(=O)CC1C2C=CC=CC=2N(C)C=1
|
|
| MCULE-2064988486 |
0.60 |
CN1C2C=CC=CC=2C(CCC(N[C@@H]2C[C@H](C(=O)O)C2)=O)=C1
|
|
| MCULE-3348058184 |
0.60 |
CC(CC(CC(NC(C(=O)O)CC1C2C=CC=CC=2NC=1)=O)C)C
|
|
| MCULE-9084162021 |
0.60 |
N[C@H](C(NCC(C(F)F)(F)F)=O)CC1C2C=CC=CC=2NC=1
|
|
| MCULE-7230091040 |
0.60 |
CCCC(CC(NC(C(=O)O)CC1C2C=CC=CC=2NC=1)=O)C
|
|
| MCULE-6238601912 |
0.60 |
N[C@H](C(NC1CC2C=CC=CC=2C1)=O)CC1C2C=CC=CC=2NC=1
|
|
| MCULE-8263589509 |
0.60 |
C(=O)(C(OCC)=O)N1CCN(CC1)C(=O)CCC1C2=CC=CC=C2NC=1
|
|
| MCULE-9170812955 |
0.60 |
CN(C([C@H](CC1C2C=CC=CC=2NC=1)N)=O)CC(F)F
|
|
| MCULE-2725552368 |
0.60 |
C1(C(C2C=CC(=CC=2)N(=O)=O)CC(=O)N2CCN(CC2)CC)C2=CC=CC=C2N(C)C=1
|
|
| MCULE-7402058324 |
0.60 |
N[C@H](C(NCC(F)(F)F)=O)CC1C2C=CC=CC=2NC=1
|
|
| MCULE-2299041221 |
0.60 |
CCOC(CNC([C@H](CC1C2C=CC=CC=2NC=1)N)=O)=O
|
|
| MCULE-1167899598 |
0.60 |
N1(C)C2=CC=CC=C2C(CCC(=O)NC(C)(C)CO)=C1
|
|
| MCULE-1899567329 |
0.60 |
CC(C1C=CC=CC=1C)CC(NC(C(=O)O)CC1C2C=CC=CC=2NC=1)=O
|
|
| MCULE-9863388924 |
0.60 |
CCC(N(C(CCC1C2C=CC=CC=2NC=1)=O)CC(=O)O)C
|
|
| MCULE-5419259646 |
0.60 |
CN1C2C=CC=CC=2C(CCC(N2C[C@@H](C3C=CC=CC=3)[C@@H](C(=O)O)C2)=O)=C1
|
|
| MCULE-3423826115 |
0.60 |
CC(N(C(CCC1C2=C(C=CC=C2)N(C)C=1)=O)C)CO
|
|
| MCULE-3934731268 |
0.60 |
CCCCC(C(NC(C(=O)O)CC1C2C=CC=CC=2NC=1)=O)C
|
|
| MCULE-5934031817 |
0.60 |
CCCN(C(CCC1C2C=CC=CC=2NC=1)=O)CC(=O)O
|
|
| MCULE-7172072085 |
0.60 |
CCC(C1C=CC=CC=1)(C(=O)O)CNC(CCC1C2C=CC=CC=2N(C)C=1)=O
|
|
| MCULE-6227304556 |
0.60 |
CC(CN(C(CCC1C2C=CC=CC=2NC=1)=O)CC(=O)O)C
|
|
| MCULE-7989681977 |
0.60 |
CCN1C2C=CC=CC=2C(CC(N(C(C(=O)O)CC2C=CC=CC=2)C)=O)=C1
|
|
| MCULE-7791213145 |
0.60 |
C[C@H]1NCCN(C(CCC2C3C=CC=C(C)C=3NC=2)=O)C1
|
|
| MCULE-3217657990 |
0.60 |
N1(CC2=CC=CC=C2C)C2=CC=CC=C2C(CCC(NCCCN2CCN(CC2)C)=O)=C1
|
|
| MCULE-9464914829 |
0.60 |
N[C@H](C(NCC(F)F)=O)CC1C2C=CC=CC=2NC=1
|
|
| MCULE-4970386716 |
0.60 |
C(CC(CCC1=CC=CC=C1)C1C2C(=CC=CC=2)N(CC2C=CC=CC=2)C=1)(NCCN1CCCC1)=O
|
|
| MCULE-3885233333 |
0.60 |
C=CCNC(CCC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-4630934955 |
0.60 |
CC(NC(C1N(C)C(=O)NC1)=O)CC1C2=C(C=CC=C2)N(C)C=1
|
|
| MCULE-2871398469 |
0.60 |
C(=CC1C=CC(=CC=1)C)(NC(C1=CC=CC=C1)=O)C(=O)NC(CC1C2C=CC=CC=2NC=1)C(O)=O
|
|
| MCULE-4777236695 |
0.60 |
CC(NC(C(N1CCSCC1)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-5409774978 |
0.60 |
N1([C@@H]([C@H](CC1)NC(NCC=C)=O)C(=O)N[C@@H](C(N)=O)CC1=CNC2=C1C=CC=C2)C(CSC)=O
|
|
| MCULE-7702341939 |
0.60 |
COC(C(NC(CN1CC(=O)NCC1)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-7575166602 |
0.60 |
CC1=CC(C(NCC(N2CC=C(C3C4=C(C=CC=C4)NC=3)CC2)=O)=O)=CC(C)=C1
|
|
| MCULE-4496557134 |
0.60 |
C1(CC(NC(C)=O)C(NCCOC2C=CC(=CC=2)OC)=O)C2C=CC=CC=2NC=1
|
|
| MCULE-8779918812 |
0.60 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1C=CC=CC=1)C(=O)NCCN(CC1=CC=CC(O)=C1)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)O
|
|
| MCULE-2604433872 |
0.60 |
OC(C(NC(C1CC=CC1)=O)CC1C2C=C(C=CC=2NC=1)Br)=O
|
|
| MCULE-3526461334 |
0.60 |
CC1=CC(C(NCC(N2CC=C(C3C4=C(C=CC=C4)NC=3)CC2)=O)=O)=CC=C1
|
|
| MCULE-4096466760 |
0.60 |
N1(CCCC1)CCNC(CC(C1C=CC=C(Cl)C=1)C1C2=CC=CC=C2N(C=1)CC1=CC=C(C=C1)F)=O
|
|
| MCULE-4661526580 |
0.60 |
C1(C2C=CC=CC=2NC=1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CC1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
|
|
| MCULE-9530639661 |
0.60 |
OC(C(NC(NCC(NC1CCCCC1)=O)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-3090444938 |
0.60 |
N12CCN(C[C@@H]1C(N[C@@H](CC1C3C=CC=CC=3NC=1)C2=O)=O)C(=O)OC1=CC=CC=C1
|
|
| MCULE-7090950922 |
0.60 |
N(C)(C)CCNC(CC(C1C=CC=C(Cl)C=1)C1C2=CC=CC=C2N(C=1)CC1=CC=C(C=C1)F)=O
|
|
| MCULE-7228799529 |
0.60 |
N12CCN(C[C@@H]1C(N[C@@H](CC1C3C=CC=CC=3NC=1)C2=O)=O)C(=O)OC1=CC=CC2=CC=CC=C12
|
|
| MCULE-8601863787 |
0.60 |
CC1N(C(CNC(NC(C(O)=O)CC2C3=C(C=CC=C3)NC=2)=O)=O)CCCC1
|
|
| MCULE-5911646579 |
0.60 |
C1(=O)[C@H](CC2C3C=CC=CC=3NC=2)NC(=O)[C@H](CC2=CC=C(C=C2)OCCNC(=O)[C@H](C(C)C)NC(=O)CN1CCOC)NC(CC1C=CC=CC=1)=O
|
|
| MCULE-6599313925 |
0.60 |
O=C(NC(C)C)N1CCN([C@H](C1)C(=O)N[C@H](CC1C2C=CC=CC=2NC=1)C(N)=O)C(COC)=O
|
|
| MCULE-3401205239 |
0.60 |
C1(CC(C(NCCCl)=O)NC(=O)OC2C=CC=CC=2)C2C=CC=CC=2NC=1
|
|
| MCULE-8909657712 |
0.60 |
N1(CCNC(=O)[C@H](CC2=CC=CC=C2)NC([C@H](C)NC(=O)[C@@H](CC2C3C=CC=CC=3NC=2)NC(=O)[C@H]1C)=O)C(=O)C1C=CC=CN=1
|
|
| MCULE-3523928863 |
0.60 |
N1(C)[C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NCCN(CC(=O)N[C@@H](CC2C3C=CC=CC=3NC=2)C1=O)C(=O)C1C=CC=CC=1N1CCCC1
|
|
| MCULE-8307824793 |
0.60 |
N1CCN([C@H](C1)C(=O)N[C@H](CC1C2C=CC=CC=2NC=1)C(N)=O)C(N1CCOCC1)=O
|
|
| MCULE-9254036787 |
0.60 |
N12C[C@H](C[C@H]1C(=O)N[C@@H](CC1C3C=CC=CC=3NC=1)C2=O)NCC1=CC=CC(F)=C1
|
|
| MCULE-5951237637 |
0.60 |
N12CCN(C[C@@H]1C(N[C@@H](CC1C3C=CC=CC=3NC=1)C2=O)=O)CC1C=CC=CN=1
|
|
| MCULE-5160189309 |
0.60 |
CC(C(NC(C(N1CCSCCC1)=O)CC1C2=C(C=CC=C2)NC=1)=O)C
|
|
| MCULE-6925736876 |
0.60 |
C1(C[C@@H]2NC(=O)[C@H](C)NC2=O)C2C=CC=CC=2NC=1C(C=C)(C)C
|
|
| MCULE-9299775767 |
0.60 |
N1(CC(=O)N[C@@H](CC2C3C=CC=CC=3NC=2)C(O)=O)CC2=C(C=CC=C2)C1=O
|
|
| MCULE-5629166931 |
0.60 |
COC(OC)CNC(C(NC(C1=C(Cl)C=CC=C1)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-7766611322 |
0.60 |
OC(C(NC(CNC(NC1CCCCC1)=O)=O)CC1C2C=CC=CC=2NC=1)=O
|
|
| MCULE-2979607550 |
0.60 |
N1(C)[C@@H](C)C(=O)N[C@@H](CC2C=CC=CC=2)C(=O)NCCN(C(=O)C2C=CC=CN=2)CC(=O)N[C@@H](CC2C3C=CC=CC=3NC=2)C1=O
|
|
| MCULE-5962334450 |
0.60 |
CC(NC(C(NCC1=CC=C(C(N2CCOCC2)=O)C=C1)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-7161188499 |
0.60 |
N1(C)[C@@H](C)C(=O)NCCCN(CCCC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC2C=CC(=CC=2)OC)C1=O)C(=O)CC1C2C=CC=CC=2N(C)C=1
|
|
| MCULE-1193077857 |
0.60 |
N1(CC(=O)NC(CC2C3C=CC=CC=3NC=2)C(O)=O)CC2=C(C=CC=C2)C1=O
|
|
| MCULE-6903077474 |
0.60 |
C1(=O)[C@H](CC2C3C=CC=CC=3NC=2)NC(=O)[C@H](CC2C=CC(=CC=2)OCCNC(=O)[C@H](C(C)C)NC(=O)CN1CCOC)NC(=O)C1(C)CC1
|
|
| MCULE-6462154988 |
0.60 |
N1(CCCCC1)CCNC(CC(C1C=CC=C(Cl)C=1)C1C2=CC=CC=C2N(C=1)CC1=CC=C(C=C1)F)=O
|
|
| MCULE-1901507193 |
0.60 |
N1(CC(=O)N[C@H](CC2C3C=CC=CC=3NC=2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2C=CC(=CC=2)OC)C(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C1)C(=O)C1C=CC=C(C=1)C#N
|
|
| MCULE-6155162204 |
0.60 |
O=C1N(CC2CC3=C(C=CC=C3)C2)C(=O)C(CC2C3=C(C=CC=C3)NC=2)N1
|
|
| MCULE-9361159144 |
0.60 |
N1(C)[C@@H](C)C(=O)N[C@@H](CC2C=CC=CC=2)C(=O)NCCN(CC(=O)N[C@@H](CC2C3C=CC=CC=3NC=2)C1=O)C(=O)C1=CC=CN1C(C)C
|
|
| MCULE-9697427132 |
0.60 |
C1(C2=CC=CC=C2N(CC2=CC=CC=C2)C=1)C(CC(NCCN1CCCC1)=O)C1=CC=CC=C1F
|
|
| MCULE-5011137421 |
0.60 |
N1(CCNC(=O)[C@H](CC2C=CC=CC=2)NC([C@H](C)NC(=O)[C@@H](CC2C3C=CC=CC=3NC=2)NC(=O)[C@H]1C)=O)C(=O)C1=CC=C(C(C)=C1)N1CCOCC1
|
|
| MCULE-2378937274 |
0.60 |
N1(CC2C=CC(=CC=2)F)C2=CC=CC=C2C(CCC(NCCN2CCOCC2)=O)=C1
|
|
| MCULE-9814442196 |
0.60 |
CC(C(N1CC=C(C2C3=C(C=CC=C3)NC=2)CC1)=O)NC(C1=CC=CC=C1)=O
|
|
| MCULE-7484771233 |
0.60 |
OC(C(NC(CCC=C)=O)CC1C2C=C(C=CC=2NC=1)Br)=O
|
|
| MCULE-7974810955 |
0.60 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCN(CC1C=CC(=C(C)C=1)C)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)O
|
|
| MCULE-7994462176 |
0.60 |
C(=O)(N1CCN(CC1)C(=O)CCC1C2=CC=CC=C2NC=1)NC(C(C)C)C(O)=O
|
|
| MCULE-1386352127 |
0.60 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CN(C(CCCN1CCCC1)=O)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)C1C=CC=CC=1)O
|
|
| MCULE-9516256166 |
0.60 |
N1(CC2=CC=C(C=C2)C)C2=CC=CC=C2C(CCC(=O)N2CCN(CC2)C2C=CC=CC=2)=C1
|
|
| MCULE-1148852977 |
0.60 |
C1(C2C=CC=CC=2N(CC)C=1)C(CC(=O)N1CCN(CC1)CC=CC1C=CC=CC=1)C1=CC(OC)=CC(OC)=C1
|
|
| MCULE-1804768565 |
0.60 |
C(CC(CCC1=CC=CC=C1)C1C2C(=CC=CC=2)N(CC2C=CC(=CC=2)C)C=1)(NCCN1CCCC1)=O
|
|
| MCULE-5991511475 |
0.60 |
N1(CCC[C@H]1C(O)=O)C(=O)C1CCN(CC1)C(=O)[C@H](CC1C2C=CC=CC=2NC=1)NC(=O)OC(C)(C)C
|
|
| MCULE-1684148429 |
0.60 |
C1(C(C2=CC=CC(=C2)N(=O)=O)CC(=O)N2CCN(CC2)CC)C2C=CC=CC=2N(C)C=1
|
|
| MCULE-3256549751 |
0.60 |
C1(C[C@@H](C(=O)NCC2C=CC=CC=2OC)NC(=O)C2CCN(CC2)C(=O)CNC(=O)OC(C)(C)C)C2C=CC=CC=2NC=1
|
|
| MCULE-4592013069 |
0.60 |
OC(C(NC(CC1CCCCC1)=O)CC1C2C=CC=CC=2NC=1)=O
|
|
| MCULE-2501306913 |
0.60 |
C1(C[C@@H](C(NCCC2NC3=C(C=CC=C3)N=2)=O)NC(=O)OC(C)(C)C)C2C=CC=CC=2N(C)C=1
|
|
| MCULE-8859748551 |
0.60 |
C1(CC(C(O)=O)NC(=O)C2CCC(CC2)CCCCCC)C2C=CC=CC=2NC=1
|
|
| MCULE-7788813567 |
0.60 |
N12C[C@@H](C[C@H]1C(=O)N[C@H](C(C)C)CC[C@@H](C)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)NC(=O)[C@H]1CCCO1
|
|
| MCULE-9285550226 |
0.60 |
OC(C(NC(CCC1CCCCC1)=O)CC1C2C=CC=CC=2NC=1)=O
|
|
| MCULE-9217070444 |
0.60 |
C1(CC(C(NCCC2NC3=C(C=CC=C3)N=2)=O)NC(=O)OC(C)(C)C)C2C=CC=CC=2N(C)C=1
|
|
| MCULE-7713998841 |
0.60 |
C12(CC3CC(CC(C3)C1)C2)C(=O)NC(CC1C2=CC=CC=C2NC=1)C(O)=O
|
|
| MCULE-3028891130 |
0.60 |
N12C[C@@H](C[C@H]1C(=O)N[C@H](C(C)C)CC[C@@H](C)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)NC(=O)[C@@H]1CCCO1
|
|
| MCULE-9194735527 |
0.60 |
OC(C(NC(C1CCCCCC1)=O)CC1C2C=CC=CC=2NC=1)=O
|
|
| MCULE-3530463472 |
0.60 |
C(=CC1C=CC=CC=1)(NC(C1=CC=CC=C1)=O)C(=O)NC(CC1C2C=CC=CC=2NC=1)C(O)=O
|
|
| MCULE-7122016538 |
0.60 |
C(=O)(N1CCN(CC1)C(=O)CCC1C2=CC=CC=C2NC=1)N[C@@H](C(C)C)C(O)=O
|
|
| MCULE-7442001168 |
0.60 |
O[C@H]1[C@@H](CC(=C[C@H]1NC(NC1C=CC(C)=CC=1)=O)C(=O)N[C@@H](C(N)=O)CC1=CNC2=C1C=CC=C2)O
|
|
| MCULE-2137748547 |
0.60 |
OC(C(NC(CCC1CCCC1)=O)CC1C2C=CC=CC=2NC=1)=O
|
|
| MCULE-4817609674 |
0.60 |
CN1C2=C(C=CC=C2)C(CCC(N2CCCC2)=O)=C1
|
|
| MCULE-4622902478 |
0.60 |
CC1=C2C(C(=CN2)CCC(NC2C(=O)N(CC(F)(F)F)CCC2)=O)=CC=C1
|
|
| MCULE-1072837470 |
0.60 |
CC(C(C(NCCC1C2=C(C=CC=C2)NC=1)=O)NC(C)=O)C
|
|
| MCULE-8689989470 |
0.60 |
C1(=CC=CC=C1)CCNC(CC(C1C=CC=C(C)C=1)C1C2=CC=CC=C2N(C=1)CC1C=CC(=CC=1)C)=O
|
|
| MCULE-5179380135 |
0.60 |
N1(CC)C2=CC=CC=C2C(CCC(=O)NC(C)CC)=C1
|
|
| MCULE-2826388432 |
0.60 |
CC[C@@H]1CC[C@@H](C(NC(C(=O)O)CC2C3C=CC=CC=3NC=2)=O)CC1
|
|
| MCULE-8092540383 |
0.60 |
O=C(NCCC1C2=C(C=CC=C2)NC=1)CCC1C2=C(C=CC=C2)NC=1
|
|
| MCULE-5527271443 |
0.60 |
OC(C(NC(CC1CCCC1)=O)CC1C2C=CC=CC=2NC=1)=O
|
|
| MCULE-5324815675 |
0.60 |
C(C(C)O)(NC(CCC1C2C=CC=CC=2NC=1)=O)C(O)=O
|
|
| MCULE-8151044482 |
0.60 |
CC(C(NC(C(=O)O)CC1C2C=CC=CC=2NC=1)=O)CC1CCCC1
|
|
| MCULE-6170681047 |
0.60 |
O=C(NCC1(N2CCCCC2)CCCCC1)CCC1C2=C(C=CC=C2)NC=1
|
|
| MCULE-8205983475 |
0.60 |
OC(C(NC(C1CCCCC1)=O)CC1C2C=CC=CC=2NC=1)=O
|
|
| MCULE-5074497160 |
0.60 |
CCN1C(C2N(C(CCC3C4=C(C=CC=C4)NC=3)=O)CCC2)CCC1
|
|
| MCULE-2638316175 |
0.60 |
CC1=CC=C(CN2C(=O)C(NC(CCC3C4=C(C=CC=C4)NC=3)=O)CC2)C=C1
|
|
| MCULE-4629220043 |
0.60 |
COCCN(C(CCC1C2C=CC=CC=2N(C)C=1)=O)CC(=O)O
|
|
| MCULE-2364891474 |
0.60 |
C1(C2C=CC=CC=2N(CC2C=CC=CC=2)C=1)C1CC(N(C)C1=O)=O
|
|
| MCULE-4268863316 |
0.60 |
CC1=C2C(C(=CN2C)CCNC(CN2C(=O)CCCC2)=O)=CC=C1
|
|
| MCULE-5972571697 |
0.60 |
OC(C(NC(CCCC1CCCC1)=O)CC1C2C=CC=CC=2NC=1)=O
|
|
| MCULE-1114700177 |
0.60 |
CN(C(C1=CC=C(F)C=C1)CNC(CCC1C2=C(C=CC=C2)NC=1)=O)C
|
|
| MCULE-1931893332 |
0.60 |
CC1(CC(C(NC(C(=O)O)CC2C3C=CC=CC=3NC=2)=O)CCC1)C
|
|
| MCULE-1435218817 |
0.60 |
CN(C1=CC=CC=C1)C(C(NC(C)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-4065657905 |
0.60 |
OC(C(NC(CCC1CCC1)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-4831290796 |
0.60 |
N1([C@H](CC=C)CC=C[C@H]1C)C(=O)CCC1C2=CC=CC=C2NC=1
|
|
| MCULE-4754503493 |
0.60 |
C1(CC(C(O)=O)NC(=O)C2CCC(CC2)C)C2C=CC=CC=2NC=1
|
|
| MCULE-5905130003 |
0.60 |
CN1N=CC(CCNC([C@H](CC2C3C=CC=CC=3NC=2)N)=O)=C1
|
|
| MCULE-3538969817 |
0.60 |
CN1C2C=CC=CC=2C(CCC(N2CC(C(=O)O)CC2)=O)=C1
|
|
| MCULE-1179186346 |
0.60 |
[H]Cl.C(O)(=O)[C@@H](NC(=O)[C@@H](N)CC1C2=C(NC=1)C=CC=C2)CC[Si](C)(C)C
|
|
| MCULE-3385118336 |
0.60 |
FC(C(N1C(C(NCCCC2C3=C(C=CC=C3)NC=2)=O)CCC1)=O)(F)F
|
|
| MCULE-5411039376 |
0.60 |
[Cl-].C1(C[C@H]([NH3+])C(=O)N2CCC(CC2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)C2C=CC=CC=2NC=1
|
|
| MCULE-3426501833 |
0.60 |
CN1C2C(CN(C([C@H](CC3C4C=CC=CC=4NC=3)N)=O)CC2)CCC1
|
|
| MCULE-5325248374 |
0.60 |
OC(C(NC(NCC(N1CCCC1)=O)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-5876602289 |
0.60 |
CC1=C2C(NC=C2CCC(NCC2N(CCCO)CCC2)=O)=CC=C1
|
|
| MCULE-4796736455 |
0.60 |
[Na+].C1(C[C@]([H])(C(=O)[O-])NC([C@]([H])(N)CCC(O)=O)=O)C2C=CC=CC=2NC=1
|
|
| MCULE-3187335276 |
0.60 |
N1(CC2C=CC=CC=2)C2=CC=CC=C2C(CCC(NCCC2=CC=C(C=C2)Cl)=O)=C1
|
|
| MCULE-2819239221 |
0.60 |
COC(C(NC(CNC([C@H](C(C)C)N)=O)=O)CC1C2C=CC(=CC=2NC=1)F)=O
|
|
| MCULE-8065843601 |
0.60 |
N[C@H](C(NC1CC2N(CCC2)CC1)=O)CC1C2C=CC=CC=2NC=1
|
|
| MCULE-1314415937 |
0.60 |
FC1=CC=C(C(N[C@H](C(N2CCN(C3=CC=CC=C3)CC2)=O)CC2C3=C(C=CC=C3)NC=2)=O)C=C1
|
|
| MCULE-6939374552 |
0.60 |
C1(CC(NC(C)=O)C(NN)=O)C2C=CC=CC=2NC=1
|
|
| MCULE-5752112097 |
0.60 |
CN(C(C(NC(N)=O)CC1C2=C(C=CC=C2)NC=1)=O)CC(NC1=C(C)C=C(C)C=C1C)=O
|
|
| MCULE-2747094164 |
0.60 |
CC(NC(C(C1CC1)O)=O)CC1C2=C(C=CC=C2)N(C)C=1
|
|
| MCULE-5134561106 |
0.60 |
C1(CC(NC(=O)C=CC2=CC=C(C=C2)N(C)C)C(O)=O)C2=CC=CC=C2NC=1
|
|
| MCULE-5591856134 |
0.60 |
CN1C2C=CC=CC=2C(CCC(N2CC(C(=O)O)(C)CC2)=O)=C1
|
|
| MCULE-1161096361 |
0.60 |
CC(NC(C(N1CCC(C2NN=CC=2)CC1)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-9712771723 |
0.60 |
CN1C2C=CC=CC=2C(CCC(NCC(C(=O)O)(O)C)=O)=C1
|
|
| MCULE-7684581267 |
0.60 |
COCCNC(C(NC(C1=CC=C(F)C=C1)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-8556278238 |
0.60 |
C1(C[C@H](N)C(=O)NC[C@@H]2CCCN3CCCC[C@@]32[H])C2C=CC=CC=2NC=1
|
|
| MCULE-5436250681 |
0.60 |
CCCC(C(OC(C)(C)C)=O)NC(C(NC(N)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-4250421725 |
0.60 |
C1(CC(N)C(=O)NCC2C=CC=CC=2)C2C=CC=CC=2NC=1
|
|
| MCULE-5802971700 |
0.60 |
C1(C2C=CC=CC=2NC=1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CC1)C(=O)NCC1CCC(CC1)C(O)=O
|
|
| MCULE-8443219212 |
0.60 |
O=C(N1CC(N2CCCC2)CCC1)CCC1C2=C(C=CC=C2)NC=1
|
|
| MCULE-8147341339 |
0.60 |
ClC1=C(CNC(CN2C(=O)C(CC3C4=C(C=CC=C4)NC=3)NC2=O)=O)C=CC=C1
|
|
| MCULE-3326279178 |
0.60 |
CCN(C(CC1C2=C(C=CC=C2)N(CC)C=1)=O)CC(NC)=O
|
|
| MCULE-6635368977 |
0.60 |
N1(C)[C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NCCN(C(=O)C(C)(C)OC2=CC=CC=C2OC)CC(=O)N[C@@H](CC2C3C=CC=CC=3NC=2)C1=O
|
|
| MCULE-7303820095 |
0.60 |
CC1(N(C(CCC2C3C=CC=CC=3NC=2)=O)CCNC(=O)C1)C
|
|
| MCULE-5249956313 |
0.60 |
CC(C(C(N1CC=C(C2C3=C(C=CC=C3)NC=2)CC1)=O)NC(C1=CC=C(C)C=C1)=O)C
|
|
| MCULE-2265575722 |
0.60 |
O=C(C1NCCCC1)NCCCC1C2C=CC=CC=2NC=1
|
|
| MCULE-3792944805 |
0.60 |
N12C[C@@H](C[C@H]1C(=O)N[C@H](C(C)C)CC[C@@H](C)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)NC(=O)C1=CC=CN=C1
|
|
| MCULE-1124939338 |
0.60 |
C1(C[C@H](N)C(=O)NCC2C=CC=CC=2)C2C=CC=CC=2NC=1
|
|
| MCULE-2887942619 |
0.60 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CN(C(=O)C1C=CC(=CC=1)CC(C)C)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)C1C=CC=CC=1)O
|
|
| MCULE-3039394122 |
0.60 |
N1(CC2=CC=C(C=C2)C)C2=CC=CC=C2C(CCC(NCCC)=O)=C1
|
|
| MCULE-7677934468 |
0.60 |
C1(CC(NC(OCC2=CC=CC=C2)=O)C(=O)NC(C(C)C)C(OC)=O)C2=CC=CC=C2NC=1
|
|
| MCULE-2348498913 |
0.60 |
CC(C(C1C2=C(C=CC=C2)NC=1)=O)N1CCN(C(C)=O)CC1
|
|
| MCULE-8838567789 |
0.60 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CN(C(=O)C1C=CC(=CC=1)CCC)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)C1C=CC=CC=1)O
|
|
| MCULE-6182447267 |
0.60 |
OC(C1(NC(CCC2C3C=CC=CC=3NC=2)=O)CC1)=O
|
|
| MCULE-7673321388 |
0.60 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CN(C(=O)C1C=CC(=CC=1)C(C)(C)C)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)C1C=CC=CC=1)O
|
|
| MCULE-5585476814 |
0.60 |
C1(C[C@H](N)C(=O)NCC2=CC=CC=C2)C2C=CC=CC=2NC=1
|
|
| MCULE-4642437265 |
0.60 |
C(=CC1C=CC(=CC=1)F)(NC(C)=O)C(=O)NC(CC1C2C=CC=CC=2NC=1)C(O)=O
|
|
| MCULE-3688308318 |
0.60 |
C1(CC(=O)N2CCN(CC2)C(=O)C2CC2)C2=CC=CC=C2N(C)C=1
|
|
| MCULE-6905610107 |
0.60 |
N1(CC(=O)N[C@H](CC2C3C=CC=CC=3NC=2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2C=CC(=CC=2)OC)C(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C1)C(=O)C1=CC=CN=C1O
|
|
| MCULE-5688303531 |
0.60 |
CCN(C([C@H](CC1C2C=CC=CC=2NC=1)N)=O)CC1C=CC=CC=1
|
|
| MCULE-5961794748 |
0.60 |
C1C=C2C[C@@]3([H])C(C)(C)N4C(=O)C(C(=O)C)=C(O)[C@]4([H])[C@@]3([H])C3=CNC(=C23)C=1
|
|
| MCULE-4139435245 |
0.60 |
C(=O)(C1CC1)N1CCN(CC1)C(=O)CCC1C2=CC=CC=C2NC=1
|
|
| MCULE-3094578951 |
0.60 |
[C@]12([H])C(C)(C)N3C(=O)C(C(=O)C)=C(O)[C@]3([H])[C@@]1([H])C1=CNC3C1=C(C=CC=3)C2
|
|
| MCULE-7708144403 |
0.60 |
N1C2=CC=CC=C2C(CCC(=O)N2CCNCC2)=C1.Cl
|
|
| MCULE-3805945603 |
0.60 |
C=CCNC(=O)[C@@H]1CC2=CN(C3C=CC=C([C@@H](N1)CC(C)C)C2=3)CC1N(C)C=CN=1
|
|
| MCULE-7787312208 |
0.60 |
C1(=CNC2C=CC=CC1=2)CC(C(=O)NCC(=O)NCC(=O)OCC1C=CC=CC=1)NC(=O)OCC1C=CC=CC=1
|
|
| MCULE-2571268725 |
0.60 |
C=CCN(C(=O)[C@@H]1CC2=CN(C3C=CC=C([C@@H](N1)CC(C)C)C2=3)CC1N(C)C=CN=1)C
|
|
| MCULE-5920600505 |
0.60 |
N1(CC(=O)N[C@H](CC2C3C=CC=CC=3NC=2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2C=CC(=CC=2)OC)C(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C1)C(=O)C1C=CC(=CC=1)N1C=NN=C1
|
|
| MCULE-6429673866 |
0.60 |
CN1C2=C(C=CC=C2)C(CCNC(CN2CC(=O)NCC2)=O)=C1
|
|
| MCULE-8470710599 |
0.60 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CN(C(C1CCOCC1)=O)CC(=O)N[C@H](CC1C3C=CC=CC=3NC=1)C2=O)C1C=CC=CC=1)O
|
|
| MCULE-4101027300 |
0.60 |
CN1C2C=CC=CC=2C(CCC(N2CCC(CC(=O)O)CC2)=O)=C1
|
|
| MCULE-9425697510 |
0.60 |
FC1=CC=C(CN(C(CN2C(=O)C(CC3C4=C(C=CC=C4)NC=3)NC2=O)=O)C2CCCCC2)C=C1
|
|
| MCULE-8895382820 |
0.60 |
CN(C1CCN(C([C@H](CC2C3C=CC=CC=3NC=2)N)=O)CC1)C
|
|
| MCULE-1145936046 |
0.60 |
N12C[C@H](C[C@H]1C(=O)N[C@@H](CC1C3C=CC=CC=3NC=1)C2=O)NCC1=CC=C(C=C1F)F
|
|
| MCULE-4117189595 |
0.60 |
CC(C(C1C2=C(C=CC=C2)NC=1)=O)N1CCN(CC(N2CCCC2)=O)CC1
|
|
| MCULE-3633308093 |
0.60 |
C1(CC(NC(CNC(=O)C(C(C)C)NC(OCC2=CC=CC=C2)=O)=O)C(O)=O)C2C=CC=CC=2NC=1
|
|
| MCULE-9828578533 |
0.60 |
CC(NC(CCC1C2C=CC=CC=2N(C)C=1)=O)CCC(=O)O
|
|
| MCULE-1152973662 |
0.60 |
C1(=O)[C@H](CC2C3C=CC=CC=3NC=2)NC(=O)[C@H](CC2C=CC(=CC=2)OCCNC(=O)[C@H](C(C)C)NC(=O)CN1CCOC)NC(CCC(F)(F)F)=O
|
|
| MCULE-7248623109 |
0.60 |
CN1C2C=CC=CC=2C(CCC(N2CCC(C(=O)O)CC2)=O)=C1
|
|
| MCULE-9048706512 |
0.60 |
C(C1C(=CC=CC=1)OC)NC(=O)[C@@H]1CC2=CNC3C=CC=C([C@@H](N1)CC(C)C)C=32
|
|
| MCULE-4374374166 |
0.60 |
CN1C2C=CC=CC=2C(CCC(NC(CCC(=O)O)(C)C)=O)=C1
|
|
| MCULE-5566096581 |
0.60 |
N12C[C@H](C[C@H]1C(=O)N[C@@H](CC1C3C=CC=CC=3NC=1)C2=O)NCC1=CC=C(C(F)=C1)F
|
|
| MCULE-8894514693 |
0.60 |
N[C@H](C(NC1CCN(C2CC2)CC1)=O)CC1C2C=CC=CC=2NC=1
|
|
| MCULE-4722853242 |
0.60 |
CC(NC(C(NCC1OCCN(CC2=CC=CC=C2)C1)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-2092994374 |
0.60 |
CN1C2C=CC=CC=2C(CCC(NCCCCCC(=O)O)=O)=C1
|
|
| MCULE-5612761667 |
0.60 |
CN(C(CN1C(=O)C(CC2C3=C(C=CC=C3)NC=2)NC1=O)=O)C(C1=CC=CC=C1)C1=CC=CC=C1
|
|
| MCULE-1689712589 |
0.60 |
CC(C(NC(C(=O)O)CC1C2C=CC=CC=2NC=1)=O)C1CC1
|
|
| MCULE-2152028470 |
0.60 |
FC1=CC=C(C(NC(C(N2CCN(C3=CC=NC=C3)CC2)=O)CC2C3=C(C=CC=C3)NC=2)=O)C=C1
|
|
| MCULE-6221983140 |
0.60 |
CCN(C(CCC1C2=C(C(=CC=C2)C)NC=1)=O)C1C(=O)NC(=O)C1
|
|
| MCULE-3619447795 |
0.60 |
C#CCNC(=O)[C@@H]1CC2=CNC3C=CC=C([C@@H](N1)CC(C)C)C=32
|
|
| MCULE-1842711989 |
0.60 |
C1(=CC=CC=C1)CCNC(CC(C1C=CC(Cl)=CC=1)C1=CN(C)C2=C1C=CC=C2)=O
|
|
| MCULE-8925564460 |
0.60 |
CC(N[C@H](C(N1CCN(CC2SC=CC=2)CC1)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-1633280502 |
0.60 |
C(=O)(NC(C)C(O)=O)N1CCN(CC1)C(=O)CCC1C2=CC=CC=C2NC=1
|
|
| MCULE-2065360227 |
0.60 |
CC(NC1=CC=C(CNC(C(NC(C2=C(Cl)C=CC=C2)=O)CC2C3C=CC=CC=3NC=2)=O)C=C1)=O
|
|
| MCULE-8082501448 |
0.60 |
CC1([C@@H](C(NC(C(=O)O)CC2C3C=CC=CC=3NC=2)=O)C1)C
|
|
| MCULE-1465831777 |
0.60 |
C(C1C=CC(=CC=1)C(F)(F)F)NC(=O)[C@@H]1CC2=CNC3C=CC=C([C@@H](N1)CC(C)C)C=32
|
|
| MCULE-5422638827 |
0.60 |
CC(C(=O)O)C(C1C=CC=CC=1)NC(CCC1C2C=CC=CC=2N(C)C=1)=O
|
|
| MCULE-6973316044 |
0.60 |
O=C(NC(C1=CC=CC=C1)C1=CC=CC=C1)CN1C(=O)C(CC2C3=C(C=CC=C3)NC=2)NC1=O
|
|
| MCULE-9566934520 |
0.60 |
CCCC(C(NC(C(=O)O)CC1C2C=CC=CC=2NC=1)=O)C(C)C
|
|
| MCULE-3323327570 |
0.60 |
COC(C(NC(C(NC(C1=CC(C)=CC=C1)=O)C)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-8641511803 |
0.60 |
COC1C(C)(C)C(NC([C@H](CC2C3C=CC=CC=3NC=2)N)=O)C1
|
|
| MCULE-9212799475 |
0.60 |
O=S(C)(N1CCN([C@H](C1)C(=O)N[C@H](CC1C2C=CC=CC=2NC=1)C(N)=O)C(C)=O)=O
|
|
| MCULE-5217264611 |
0.60 |
OC(C(NC(C1CCC1)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-9991633440 |
0.60 |
C(=O)(C(C1C=CC=CC=1)C1C=CC=CC=1)NC(CC1C2C=CC=CC=2NC=1)C(=O)NC1=CC=CC=C1
|
|
| MCULE-5723137216 |
0.60 |
CN1C(=O)CCC1C(NCCC1C2=C(C=C(C=C2)C)N(C)C=1)=O
|
|
| MCULE-2915865728 |
0.60 |
C1(C(C2C=CC(=CC=2)Cl)CC(NCCN2CCOCC2)=O)C2C=CC=CC=2N(C)C=1
|
|
| MCULE-6643797374 |
0.60 |
CC1(C(C(NC(C(O)=O)CC2C3=C(C=CC=C3)NC=2)=O)C1)C
|
|
| MCULE-1740072538 |
0.60 |
C1(C2=CC=CC=C2N(CC2=CC=C(C=C2)F)C=1)C(C1=CC=CC=C1F)CC(=O)N1CCN(CC1)CC
|
|
| MCULE-9052196974 |
0.60 |
OC([C@H](NC(C1CCC1)=O)CC1C2=C(C=CC=C2)NC=1)=O
|
|
| MCULE-6118981415 |
0.60 |
CN1N=CC(CCC(NC(C(=O)O)CC2C3C=CC=CC=3NC=2)=O)=C1
|
|
| MCULE-8927236611 |
0.60 |
C(=O)(N[C@@H](C)C(O)=O)N1CCN(CC1)C(=O)CCC1C2=CC=CC=C2NC=1
|
|
| MCULE-6607069492 |
0.60 |
CC1(C(C)(C)C1C(NC(C(=O)O)CC1C2C=CC=CC=2NC=1)=O)C
|
|
| MCULE-6759328329 |
0.60 |
N1(CC2C=CC=CC=2Cl)C2=CC=CC=C2C(CCC(NCCCN2CCN(CC2)C)=O)=C1
|
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