| MCULE-6555695611 |
1 |
N12C[C@@H](C[C@@H]1C(=O)N[C@@H](CC1C=CC=CC=1)C2=O)O
|
|
| MCULE-7932600030 |
1 |
C1(CC2C=CC=CC=2)C(=O)N2CC(O)CC2C(=O)N1
|
|
| MCULE-5315759293 |
1 |
C1C=C(C[C@H]2C(=O)N3C[C@H](O)C[C@@]3([H])C(=O)N2)C=CC=1
|
|
| MCULE-4072881079 |
1 |
N12C[C@@H](C[C@H]1C(=O)N[C@H](CC1=CC=CC=C1)C2=O)O
|
|
| MCULE-7568108718 |
1 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1C=CC=CC=1)C2=O)O
|
|
| MolPort-044-696-790 |
1 |
O[C@@H]1C[C@@H]2N(C1)C(=O)[C@@H](CC1=CC=CC=C1)NC2=O
|
|
| MolPort-039-338-193 |
1 |
OC1CC2N(C1)C(=O)C(CC1=CC=CC=C1)NC2=O
|
|
| MolPort-039-338-407 |
1 |
O[C@@H]1C[C@@H]2N(C1)C(=O)[C@H](CC1=CC=CC=C1)NC2=O
|
|
| MolPort-045-928-247 |
1 |
O[C@@H]1C[C@H]2N(C1)C(=O)[C@H](CC1=CC=CC=C1)NC2=O
|
|
| MCULE-8632359270 |
0.98 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCNCC(=O)N[C@@H]([C@@H](C)CC)C2=O)O
|
|
| MCULE-9151936645 |
0.97 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCN(C(=O)CN1CCCCC1=O)CC(=O)N[C@@H]([C@@H](C)CC)C2=O)O
|
|
| MCULE-7455381480 |
0.97 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCN(C(C1CCC1)=O)CC(=O)N[C@@H]([C@@H](C)CC)C2=O)O
|
|
| MolPort-045-917-612 |
0.97 |
CC[C@H](C)[C@@H]1NC(=O)CN(CCNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(=O)CN1CCCCC1=O
|
|
| MolPort-045-931-951 |
0.97 |
CC[C@H](C)[C@@H]1NC(=O)CN(CCNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(=O)C1CCC1
|
|
| MCULE-8880665119 |
0.96 |
N12C[C@@H](C[C@H]1C(=O)NCCC[C@H](NC(CC(C)(C)C)=O)C(=O)N[C@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C2=O)O
|
|
| MolPort-046-581-789 |
0.96 |
CC(C)C[C@@H]1NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@H](CCCNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](C)NC1=O)NC(=O)CC(C)(C)C
|
|
| MCULE-4392787171 |
0.95 |
N12C[C@@H](C[C@H]1C(=O)NCCC[C@H](NC(C1CCC1)=O)C(=O)N[C@H](CC1C=CC=CC=1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C2=O)O
|
|
| MolPort-046-567-250 |
0.95 |
CC(C)C[C@@H]1NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@H](CCCNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](C)NC1=O)NC(=O)C1CCC1
|
|
| MCULE-5929049755 |
0.94 |
N12C[C@@H](C[C@H]1C(=O)N[C@H](CC1C=CC(=CC=1)O)C2=O)O
|
|
| MCULE-3911198149 |
0.94 |
C1(CC2C=CC(O)=CC=2)C(=O)N2CC(O)CC2C(=O)N1
|
|
| MCULE-9436866727 |
0.94 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1C=CC=CC=1)C(=O)NCCN(C(CCCN1CCCC1=O)=O)CC(=O)N[C@@H]([C@@H](C)CC)C2=O)O
|
|
| MCULE-9351724008 |
0.94 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1C=CC=CC=1)C(=O)NCCN(C(=O)C1(C)COC1)CC(=O)N[C@@H]([C@@H](C)CC)C2=O)O
|
|
| MCULE-2853128092 |
0.94 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1C=CC=CC=1)C(=O)NCCN(C(=O)CCOC)CC(=O)N[C@@H]([C@@H](C)CC)C2=O)O
|
|
| MCULE-9240702278 |
0.94 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1C=CC=CC=1)C(=O)NCCN(C(C1CCCC1)=O)CC(=O)N[C@@H]([C@@H](C)CC)C2=O)O
|
|
| MolPort-039-338-194 |
0.94 |
OC1CC2N(C1)C(=O)C(CC1=CC=C(O)C=C1)NC2=O
|
|
| MolPort-044-705-862 |
0.94 |
O[C@@H]1C[C@@H]2N(C1)C(=O)[C@@H](CC1=CC=C(O)C=C1)NC2=O
|
|
| MolPort-045-931-849 |
0.94 |
CC[C@H](C)[C@@H]1NC(=O)CN(CCNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(=O)CCOC
|
|
| MolPort-045-932-790 |
0.94 |
CC[C@H](C)[C@@H]1NC(=O)CN(CCNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(=O)C1CCCC1
|
|
| MolPort-045-919-179 |
0.94 |
CC[C@H](C)[C@@H]1NC(=O)CN(CCNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(=O)C1(C)COC1
|
|
| MolPort-045-937-188 |
0.94 |
CC[C@H](C)[C@@H]1NC(=O)CN(CCNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(=O)CCCN1CCCC1=O
|
|
| MCULE-1735847808 |
0.93 |
N12C[C@@H](C[C@H]1C(=O)NCCC[C@H](NC(=O)C(C)(C)C1C=CC=CC=1)C(=O)N[C@H](CC1C=CC=CC=1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C2=O)O
|
|
| MCULE-1637616349 |
0.93 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1C=CC=CC=1)C(=O)NCCN(C(=O)C1CCN(CC1)C(C)C)CC(=O)N[C@@H]([C@@H](C)CC)C2=O)O
|
|
| MCULE-4354008734 |
0.93 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1C=CC=CC=1)C(=O)NCCN(C(=O)C1CCN(CC1)C(C)=O)CC(=O)N[C@@H]([C@@H](C)CC)C2=O)O
|
|
| MCULE-8219620539 |
0.93 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCN(C(=O)CC1CCCC1)CC(=O)N[C@@H]([C@@H](C)CC)C2=O)O
|
|
| MCULE-2768826377 |
0.93 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1C=CC=CC=1)C(=O)NCCN(C(=O)CCC1=CC=CC=C1C)CC(=O)N[C@@H]([C@@H](C)CC)C2=O)O
|
|
| MCULE-1169533905 |
0.93 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1C=CC=CC=1)C(=O)NCCN(C(C1CCCCCC1)=O)CC(=O)N[C@@H]([C@@H](C)CC)C2=O)O
|
|
| MolPort-045-933-210 |
0.93 |
CC[C@H](C)[C@@H]1NC(=O)CN(CCNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(=O)C1CCCCCC1
|
|
| MolPort-045-936-103 |
0.93 |
CC[C@H](C)[C@@H]1NC(=O)CN(CCNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(=O)CC1CCCC1
|
|
| MolPort-045-937-214 |
0.93 |
CC[C@H](C)[C@@H]1NC(=O)CN(CCNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(=O)C1CCN(CC1)C(C)C
|
|
| MolPort-045-916-932 |
0.93 |
CC[C@H](C)[C@@H]1NC(=O)CN(CCNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(=O)C1CCN(CC1)C(C)=O
|
|
| MolPort-046-577-865 |
0.93 |
CC(C)C[C@@H]1NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@H](CCCNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](C)NC1=O)NC(=O)C(C)(C)C1=CC=CC=C1
|
|
| MolPort-045-918-584 |
0.93 |
CC[C@H](C)[C@@H]1NC(=O)CN(CCNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(=O)CCC1=C(C)C=CC=C1
|
|
| MCULE-1543001266 |
0.92 |
N12C[C@@H](C[C@H]1C(=O)NCCC[C@H](NC(=O)CC(C1=CC=CC=C1)C1=CC=CC=C1)C(=O)N[C@H](CC1C=CC=CC=1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C2=O)O
|
|
| MCULE-2001356501 |
0.92 |
N(C(CC(C)C)C(=O)NC(C(=O)NC(C)(C)C(=O)N1CC(O)CC1C(=O)NC(CCC(N)=O)C(=O)NC(C)(C)C(=O)N1CC(O)CC1C(=O)NC(C)(C(NC(CC1C=CC=CC=1)CO)=O)C)(C)C)C(=O)CNC(=O)C(C(C)C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)(NC(=O)C(NC(C)=O)CC1C=CC=CC=1)C
|
|
| MCULE-8833153687 |
0.92 |
CC(=O)NC(CC1C=CC=CC=1)C(=O)NC(C)(C)C(NC(C(NC(C(=O)NC(C(C)C)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(C(=O)NC(C)(C)C(N1CC(O)CC1C(=O)NC(CCC(N)=O)C(=O)NC(C)(CC)C(=O)N1CC(O)CC1C(=O)NC(C)C(=O)NC(CC1C=CC=CC=1)CO)=O)(C)C)(C)C)=O)(C)C)=O
|
|
| MCULE-1682777383 |
0.92 |
C1(N(C(=O)C(CC)(C)NC(=O)C(CCC(N)=O)NC(=O)C2N(C(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(NC(=O)CNC(=O)C(C(C)C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(C(NC(=O)C(CC3C=CC=CC=3)NC(=O)C)(C)C)=O)CC(C)C)CC(C2)O)CC(O)C1)C(=O)NC(C)(C)C(=O)NC(CO)CC1C=CC=CC=1
|
|
| MCULE-9285938555 |
0.92 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCN(C(COC)=O)CC(=O)N[C@@H]([C@@H](C)CC)C2=O)O
|
|
| MCULE-3252605615 |
0.92 |
N12C[C@@H](C[C@H]1C(=O)NCCC[C@H](NC(CCCC1C=CC=CC=1)=O)C(=O)N[C@H](CC1C=CC=CC=1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C2=O)O
|
|
| MCULE-7373808131 |
0.92 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCN(C(=O)C(C)(C)OC)CC(=O)N[C@@H]([C@@H](C)CC)C2=O)O
|
|
| MolPort-045-931-774 |
0.92 |
CC[C@H](C)[C@@H]1NC(=O)CN(CCNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(=O)C(C)(C)OC
|
|
| MolPort-045-935-132 |
0.92 |
CC[C@H](C)[C@@H]1NC(=O)CN(CCNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(=O)COC
|
|
| MolPort-046-577-151 |
0.92 |
CC(C)C[C@@H]1NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@H](CCCNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](C)NC1=O)NC(=O)CCCC1=CC=CC=C1
|
|
| MolPort-005-944-434 |
0.92 |
CC(C)CC(NC(=O)CNC(=O)C(NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(CC1=CC=CC=C1)NC(C)=O)C(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CC(O)CC1C(=O)NC(CCC(N)=O)C(=O)NC(C)(C)C(=O)N1CC(O)CC1C(=O)NC(C)(C)C(=O)NC(CO)CC1=CC=CC=C1
|
|
| MolPort-019-931-698 |
0.92 |
CCC(C)(NC(=O)C(CCC(N)=O)NC(=O)C1CC(O)CN1C(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(CC1=CC=CC=C1)NC(C)=O)C(C)C)C(=O)N1CC(O)CC1C(=O)NC(C)(C)C(=O)NC(CO)CC1=CC=CC=C1
|
|
| MolPort-046-567-243 |
0.92 |
CC(C)C[C@@H]1NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@H](CCCNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](C)NC1=O)NC(=O)CC(C1=CC=CC=C1)C1=CC=CC=C1
|
|
| MCULE-2018879292 |
0.91 |
C1(C(O)C)C(=O)NC(C)C(=O)NC(C(C)CC)C(N2CCCC2C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(CC2C=CC=CC=2)C(=O)N1)CC(C)C)=O
|
|
| MolPort-044-637-516 |
0.91 |
CCC(C)C1NC(=O)C(C)NC(=O)C(NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C2CCCN2C1=O)C(C)O
|
|
| MolPort-040-725-324 |
0.90 |
CC(C)C1(CN(C1)C(=O)[C@H]1C[C@H](O)CN1C(C)=O)C1=CC=CC=C1
|
|
| MolPort-045-915-150 |
0.90 |
CC[C@H](C)[C@@H]1NC(=O)CN(CCNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(=O)CN1CCOCC1
|
|
| MolPort-046-573-530 |
0.90 |
COC(C)(C)C(=O)N[C@H]1CCCNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC2=CC=CC=C2)NC1=O
|
|
| MCULE-5609855852 |
0.90 |
CC(C1(C2=CC=CC=C2)CN(C([C@@H]2N(C(C)=O)C[C@@H](O)C2)=O)C1)C
|
|
| MCULE-2639019958 |
0.90 |
N12C[C@@H](C[C@H]1C(=O)NCCC[C@H](NC(=O)C(C)(C)OC)C(=O)N[C@H](CC1C=CC=CC=1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C2=O)O
|
|
| MCULE-7496344619 |
0.90 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1C=CC=CC=1)C(=O)NCCN(C(=O)CN1CCOCC1)CC(=O)N[C@@H]([C@@H](C)CC)C2=O)O
|
|
| MolPort-045-919-188 |
0.89 |
CC[C@H](C)[C@@H]1NC(=O)CN(CCNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(=O)CN1CCN(C)C1=O
|
|
| MolPort-045-936-488 |
0.89 |
CC[C@H](C)[C@@H]1NC(=O)CN(CCNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(=O)C1CCOCC1
|
|
| MolPort-045-934-835 |
0.89 |
CC[C@H](C)[C@@H]1NC(=O)CN(CCNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(=O)[C@@H]1CC[C@H](O)CC1
|
|
| MolPort-045-935-062 |
0.89 |
CC[C@H](C)[C@@H]1NC(=O)CN(CCNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(=O)[C@H]1CC[C@H](O)CC1
|
|
| MCULE-9647374688 |
0.89 |
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)O)CC(=O)N[C@@H]([C@@H](C)CC)C2=O)O
|
|
| MCULE-9767277823 |
0.89 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCN(C(C1CCOCC1)=O)CC(=O)N[C@@H]([C@@H](C)CC)C2=O)O
|
|
| MCULE-8772953444 |
0.89 |
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)O)CC(=O)N[C@@H]([C@@H](C)CC)C2=O)O
|
|
| MCULE-8519719679 |
0.89 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCN(C(=O)CN1CCN(C)C1=O)CC(=O)N[C@@H]([C@@H](C)CC)C2=O)O
|
|
| MolPort-045-938-662 |
0.88 |
CC[C@H](C)[C@@H]1NC(=O)CN(CCNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(=O)CN1C(=O)CNC1=O
|
|
| MolPort-013-172-941 |
0.88 |
OC1CNC(C1)C(=O)N1CCC(C1)C1=CC=CC=C1
|
|
| MCULE-4161459973 |
0.88 |
N1(C(=O)CNC1=O)CC(=O)N1CCNC(=O)[C@H](CC2=CC=CC=C2)NC([C@@H]2C[C@@H](O)CN2C(=O)[C@H]([C@@H](C)CC)NC(=O)C1)=O
|
|
| MCULE-7542975113 |
0.88 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1C=CC=CC=1)C(=O)NCCN(C(=O)COC(C)C)CC(=O)N[C@@H]([C@@H](C)CC)C2=O)O
|
|
| MCULE-4304803445 |
0.88 |
OC1CC(C(N2CC(C3C=CC=CC=3)CC2)=O)NC1
|
|
| MCULE-9577631481 |
0.88 |
N12CCC[C@H]1C(=O)NCCCC[C@H](NC(CN(C)C)=O)C(N[C@@H](CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](CC1C=CC=CC=1)C2=O)=O
|
|
| MCULE-1447195285 |
0.88 |
N12CCC[C@H]1C(=O)NCCCC[C@H](N)C(N[C@@H](CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](CC1C=CC=CC=1)C2=O)=O
|
|
| MCULE-5396903564 |
0.88 |
N12CCC[C@H]1C(=O)NCCCC[C@H](NC(C)=O)C(N[C@@H](CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](CC1=CC=CC=C1)C2=O)=O
|
|
| MCULE-6777756892 |
0.88 |
N12CCC[C@H]1C(=O)NCCCC[C@H](NC(=O)C(C)(C)C)C(N[C@@H](CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](CC1C=CC=CC=1)C2=O)=O
|
|
| MCULE-3700891361 |
0.88 |
N12CCC[C@H]1C(=O)NCCCC[C@H](NC(CC(C)C)=O)C(N[C@@H](CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](CC1C=CC=CC=1)C2=O)=O
|
|
| MCULE-1335218727 |
0.88 |
N12CCC[C@H]1C(=O)NCCCC[C@H](NC(C(C)C)=O)C(N[C@@H](CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](CC1=CC=CC=C1)C2=O)=O
|
|
| MCULE-2749026812 |
0.88 |
N12CCC[C@H]1C(=O)NCCCC[C@H](NC(CCC(C)C)=O)C(N[C@@H](CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](CC1=CC=CC=C1)C2=O)=O
|
|
| MCULE-7115387830 |
0.88 |
N1C(=O)[C@H](CC2C=CC=CC=2)NC(=O)[C@@H](C(C)C)NC(CN(C(=O)[C@@H]2CCC(=O)N2)CCNC(=O)[C@@H]1[C@@H](C)O)=O
|
|
| MCULE-9248755756 |
0.88 |
N1C(=O)[C@H](CC2C=CC=CC=2)NC(=O)[C@@H](C(C)C)NC(CN(C(=O)[C@H]2CCC(=O)N2)CCNC(=O)[C@@H]1[C@@H](C)O)=O
|
|
| MCULE-9840027170 |
0.88 |
N12C[C@@H](C[C@H]1C(=O)NCCC[C@H](NC(C1CCOCC1)=O)C(=O)N[C@H](CC1C=CC=CC=1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C2=O)O
|
|
| MCULE-7710054995 |
0.88 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCN(CC1C=CC=CC=1)CC(=O)N[C@@H]([C@@H](C)CC)C2=O)O
|
|
| MCULE-9230155618 |
0.88 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCN(C(=O)CC1C=CC=C(O)C=1)CC(=O)N[C@@H]([C@@H](C)CC)C2=O)O
|
|
| MCULE-1641575570 |
0.88 |
C(N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)O)CC(C)C)CC1C=CC=CC=1)(=O)[C@H](CC1C=CC=CC=1)NC([C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H](N)CC(C)C)=O
|
|
| MolPort-046-569-339 |
0.88 |
CC[C@@H]1NC(=O)[C@H](CCCCNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](NC1=O)[C@@H](C)O)NC(=O)CCC(C)C
|
|
| MolPort-046-568-348 |
0.88 |
CC[C@@H]1NC(=O)[C@H](CCCCNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](NC1=O)[C@@H](C)O)NC(=O)CC(C)C
|
|
| MolPort-046-567-777 |
0.88 |
CC[C@@H]1NC(=O)[C@@H](N)CCCCNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](NC1=O)[C@@H](C)O
|
|
| MolPort-046-568-748 |
0.88 |
CC[C@@H]1NC(=O)[C@H](CCCCNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](NC1=O)[C@@H](C)O)NC(=O)C(C)(C)C
|
|
| MolPort-046-568-512 |
0.88 |
CC[C@@H]1NC(=O)[C@H](CCCCNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](NC1=O)[C@@H](C)O)NC(C)=O
|
|
| MolPort-046-569-548 |
0.88 |
CC[C@@H]1NC(=O)[C@H](CCCCNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](NC1=O)[C@@H](C)O)NC(=O)CN(C)C
|
|
| MolPort-046-569-803 |
0.88 |
CC[C@@H]1NC(=O)[C@H](CCCCNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](NC1=O)[C@@H](C)O)NC(=O)C(C)C
|
|
| MolPort-046-577-859 |
0.88 |
CC(C)C[C@@H]1NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@H](CCCNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](C)NC1=O)NC(=O)C1CCOCC1
|
|
| MolPort-045-916-772 |
0.88 |
CC[C@H](C)[C@@H]1NC(=O)CN(CC2=CC=CC=C2)CCNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O
|
|
| MolPort-045-931-863 |
0.88 |
CC[C@H](C)[C@@H]1NC(=O)CN(CCNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(=O)CC1=CC(O)=CC=C1
|
|
| MolPort-046-418-705 |
0.88 |
CC(C)C[C@H](N)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O
|
|
| MolPort-039-084-682 |
0.87 |
CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)NCCC1=CC=CC2=CC=CC=C12
|
|
| MolPort-011-711-311 |
0.87 |
OC1CNC(C1)C(=O)NC1CC1C1=CC=CC=C1
|
|
| MCULE-1535871248 |
0.87 |
N1(C[C@@H]2C[C@@H](CN2C(=O)[C@@H]1CC1C=CC=CC=1)OC)C(=O)C1(C)CC1
|
|
| MCULE-6275157544 |
0.87 |
OC1CC(C(NC2C(C3=CC=CC=C3)C2)=O)NC1
|
|
| MCULE-3503591547 |
0.87 |
CC(N1[C@@H](C(NCCC2=C3C(C=CC=C3)=CC=C2)=O)C[C@H](O)C1)=O
|
|
| MCULE-9172340028 |
0.87 |
N12CCC[C@H]1C(=O)NCCCC[C@H](NC(CC1CC1)=O)C(N[C@@H](CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](CC1C=CC=CC=1)C2=O)=O
|
|
| MCULE-9364845156 |
0.87 |
N12CCC[C@H]1C(=O)NCCCC[C@H](NC(C1CCC1)=O)C(N[C@@H](CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](CC1C=CC=CC=1)C2=O)=O
|
|
| MCULE-6002733524 |
0.87 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCN(CC(=O)N[C@@H]([C@@H](C)CC)C2=O)C(=O)[C@@H]1CCCN2CCCC[C@]12[H])O
|
|
| MCULE-4201262296 |
0.87 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1C=CC=CC=1)C(=O)NCCN(C(CCCN1CCOCC1)=O)CC(=O)N[C@@H]([C@@H](C)CC)C2=O)O
|
|
| MolPort-042-694-792 |
0.87 |
C[C@@H](O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(O)=O
|
|
| MolPort-046-570-575 |
0.87 |
CC[C@@H]1NC(=O)[C@H](CCCCNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](NC1=O)[C@@H](C)O)NC(=O)C1CCC1
|
|
| MolPort-046-567-757 |
0.87 |
CC[C@@H]1NC(=O)[C@H](CCCCNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](NC1=O)[C@@H](C)O)NC(=O)CC1CC1
|
|
| MolPort-045-934-814 |
0.87 |
CC[C@H](C)[C@@H]1NC(=O)CN(CCNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(=O)CCCN1CCOCC1
|
|
| MolPort-045-916-966 |
0.86 |
CC(C)CCC(=O)N1CCNC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](NC(=O)C1)C(C)C
|
|
| MolPort-044-639-113 |
0.86 |
CO[C@H]1C[C@H]2CN(CCC(C)C)[C@@H](CC3=CC=CC=C3)C(=O)N2C1
|
|
| MCULE-4288999454 |
0.86 |
N1C(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H](C(C)C)NC(CN(C(CCC(C)C)=O)CCNC(=O)[C@@H]1[C@@H](C)O)=O
|
|
| MCULE-2684086533 |
0.86 |
C1(=O)[C@@H](C(C)C)NC(=O)CN(CCNC([C@@H](CC2C=CC=CC=2)NC(=O)[C@H](CO)NC(=O)[C@H](C)N1)=O)C(CCC(C)C)=O
|
|
| MCULE-9809996763 |
0.86 |
N12C[C@H](C[C@H]1CN([C@@H](CC1=CC=CC=C1)C2=O)CCC(C)C)OC
|
|
| MCULE-6160991859 |
0.86 |
N12CCC[C@H]1C(=O)NCCCC[C@H](NC(=O)[C@H]1CCC(=O)N1)C(N[C@@H](CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](CC1C=CC=CC=1)C2=O)=O
|
|
| MCULE-3827613717 |
0.86 |
N12CCC[C@H]1C(=O)NCCCC[C@H](NC(CCC1CCCC1)=O)C(N[C@@H](CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](CC1=CC=CC=C1)C2=O)=O
|
|
| MCULE-6736302750 |
0.86 |
N12CCC[C@H]1C(=O)NCCCC[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(N[C@@H](CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](CC1C=CC=CC=1)C2=O)=O
|
|
| MCULE-7764032794 |
0.86 |
C(N)(=O)[C@H]([C@H](O)C)NC(=O)[C@]1(CC2=CC=CC=C2)CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H]([C@H](O)C)N
|
|
| MCULE-5493102568 |
0.86 |
N12CCC[C@H]1C(=O)NCCCC[C@H](NC(CC[C@@H]1CCCN3CCCC[C@@]31[H])=O)C(N[C@@H](CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](CC1C=CC=CC=1)C2=O)=O
|
|
| MCULE-1187867449 |
0.86 |
N12CCC[C@H]1C(=O)NCCCC[C@H](NC(=O)CN1CCCC1=O)C(N[C@@H](CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](CC1=CC=CC=C1)C2=O)=O
|
|
| MCULE-9919385224 |
0.86 |
N12C[C@@H](C[C@H]1C(=O)NCCC[C@H](NC(CC1C=CC(=CC=1)C(F)(F)F)=O)C(=O)N[C@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C2=O)O
|
|
| MCULE-7115666786 |
0.86 |
N12C[C@@H](C[C@H]1C(=O)NCCC[C@H](NC(=O)C1(CCCCC1)C1C=CC=CC=1)C(=O)N[C@H](CC1C=CC=CC=1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C2=O)O
|
|
| MCULE-4930179276 |
0.86 |
CC(N1[C@@H](C(NC2(CCCC2)CC2=CC=CC=C2)=O)C[C@H](O)C1)=O
|
|
| MolPort-046-570-778 |
0.86 |
CC[C@@H]1NC(=O)[C@H](CCCCNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](NC1=O)[C@@H](C)O)NC(=O)[C@H]1CCC(=O)N1
|
|
| MolPort-046-576-795 |
0.86 |
CC(C)C[C@@H]1NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@H](CCCNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](C)NC1=O)NC(=O)C1(CCCCC1)C1=CC=CC=C1
|
|
| MolPort-046-569-280 |
0.86 |
CC[C@@H]1NC(=O)[C@H](CCCCNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](NC1=O)[C@@H](C)O)NC(=O)CC[C@@H]1CCCN2CCCC[C@H]12
|
|
| MolPort-046-788-295 |
0.86 |
C[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@@]1(CC1=CC=CC=C1)C(=O)N[C@@H]([C@@H](C)O)C(N)=O
|
|
| MolPort-046-570-274 |
0.86 |
CC[C@@H]1NC(=O)[C@H](CCCCNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](NC1=O)[C@@H](C)O)NC(=O)[C@@H]1CCC(=O)N1
|
|
| MolPort-046-567-931 |
0.86 |
CC[C@@H]1NC(=O)[C@H](CCCCNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](NC1=O)[C@@H](C)O)NC(=O)CN1CCCC1=O
|
|
| MolPort-046-570-072 |
0.86 |
CC[C@@H]1NC(=O)[C@H](CCCCNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](NC1=O)[C@@H](C)O)NC(=O)C12CC3CC(CC(C3)C1)C2
|
|
| MolPort-046-567-185 |
0.86 |
CC[C@@H]1NC(=O)[C@H](CCCCNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](NC1=O)[C@@H](C)O)NC(=O)CCC1CCCC1
|
|
| MolPort-046-569-790 |
0.86 |
CC(C)C[C@@H]1NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@H](CCCNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](C)NC1=O)NC(=O)CC1=CC=C(C=C1)C(F)(F)F
|
|
| MolPort-039-238-235 |
0.86 |
CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)NC1(CC2=CC=CC=C2)CCCC1
|
|
| MolPort-046-117-332 |
0.85 |
CCC1=CC=C(C=C1)C1CCN(CC1)C(=O)[C@H]1C[C@@H](O)CN1C(C)=O
|
|
| MolPort-045-932-707 |
0.85 |
CC(C)[C@H]1NC(=O)CN(CCNC(=O)[C@@H](NC(=O)[C@H](CC2=CC=CC=C2)NC1=O)[C@@H](C)O)C(=O)C1C(C)(C)C1(C)C
|
|
| MolPort-039-113-900 |
0.85 |
CN1CCC(CNC(=O)[C@@H]2C[C@@H](O)CN2)(CC1)C1=CC=CC=C1
|
|
| MolPort-039-300-224 |
0.85 |
CC(=O)N1CCCC1C(=O)N[C@H](CC1=CC=CC=C1)C(O)=O
|
|
| MolPort-039-300-277 |
0.85 |
CC(=O)N1CCCC1C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O
|
|
| MolPort-046-570-719 |
0.85 |
CC[C@@H]1NC(=O)[C@H](CCCCNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](NC1=O)[C@@H](C)O)NC(=O)CC1=CC=CC=C1
|
|
| MolPort-046-570-377 |
0.85 |
CC[C@@H]1NC(=O)[C@H](CCCCNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](NC1=O)[C@@H](C)O)NC(=O)CCOC
|
|
| MolPort-046-099-143 |
0.85 |
CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NC1CC2=CC=CC=C2C1
|
|
| MolPort-046-451-940 |
0.85 |
CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCCC1CC1=CC=C(C)C=C1
|
|
| MCULE-5197537381 |
0.85 |
CCC1=CC=C(C2CCN(C([C@@H]3N(C(C)=O)C[C@H](O)C3)=O)CC2)C=C1
|
|
| MCULE-2105660904 |
0.85 |
C1(C)(C)C(C1(C)C)C(=O)N1CCNC(=O)[C@H]([C@@H](C)O)NC([C@H](CC2=CC=CC=C2)NC(=O)[C@@H](C(C)C)NC(=O)C1)=O
|
|
| MCULE-1018642570 |
0.85 |
N1C[C@@H](C[C@H]1C(=O)NCC1(C2C=CC=CC=2)CCN(CC1)C)O
|
|
| MCULE-5508608874 |
0.85 |
CCCC(N1C(C(NC(C(=O)O)CC2C=CC=CC=2)=O)CCC1)=O
|
|
| MCULE-7046219617 |
0.85 |
CC(CC(N1C(C(NC(C(=O)O)CC2C=CC=CC=2)=O)CCC1)=O)(C)C
|
|
| MCULE-7690712869 |
0.85 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCN(C(=O)CC1=CC=CC=C1Cl)CC(=O)N[C@@H]([C@@H](C)CC)C2=O)O
|
|
| MCULE-8142918291 |
0.85 |
N12CCC[C@H]1C(=O)NCCCC[C@H](NC(CC1C=CC=CC=1)=O)C(N[C@@H](CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](CC1C=CC=CC=1)C2=O)=O
|
|
| MCULE-6287368331 |
0.85 |
N12CCC[C@H]1C(=O)NCCCC[C@H](NC(=O)CCOC)C(N[C@@H](CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](CC1=CC=CC=C1)C2=O)=O
|
|
| MCULE-8192558109 |
0.85 |
CC(N1[C@@H](C(NC2CC3=C(C=CC=C3)C2)=O)C[C@@H](O)C1)=O
|
|
| MolPort-046-581-426 |
0.84 |
CC(C)C[C@@H]1NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@H](CCCNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](C)NC1=O)NC(=O)CC1=C(Cl)C=CC=C1
|
|
| MolPort-045-931-794 |
0.84 |
CC[C@H](C)[C@@H]1NC(=O)CN(CCNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(=O)C1=CC=CC=C1
|
|
| MolPort-045-933-820 |
0.84 |
CC(C)[C@H]1NC(=O)CN(CCNC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC1=O)C(=O)CN1CCC(CC1)C1=CC=CC=C1
|
|
| MolPort-045-915-848 |
0.84 |
CC(C)[C@H]1NC(=O)CN(CC2CCC2)CCNC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC1=O
|
|
| MolPort-045-917-531 |
0.84 |
CC(C)C[C@@H]1NC(=O)CN(C)C(=O)[C@H](CO)NC(=O)[C@@H]2C[C@H](N)CN2C(=O)[C@H](CC2=CC=CC=C2)NC1=O
|
|
| MolPort-046-702-226 |
0.84 |
CC(C)C(NC(=O)C(CC(O)=O)NC(=O)C(CC1=CC=C(O)C=C1)NC(=O)C1CCCN1C(=O)C(N)CC1=CC=C(O)C=C1)C(=O)N1CCCC1C(=O)NC(CC(O)=O)C(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(C)C(O)=O
|
|
| MolPort-045-983-636 |
0.84 |
CC(CC1=CC=C(Cl)C=C1)N(C)C(=O)[C@H]1C[C@H](O)CN1C(C)=O
|
|
| MolPort-020-210-977 |
0.84 |
O[C@@H]1C[C@@H]2N(C1)C(=O)[C@H]1CN(CCCC3=CC=CC=C3)CCN1C2=O
|
|
| MolPort-046-570-524 |
0.84 |
CC[C@@H]1NC(=O)[C@H](CCCCNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](NC1=O)[C@@H](C)O)NC(=O)C1CCOCC1
|
|
| MolPort-045-917-408 |
0.84 |
C[C@H](O)[C@H]1NC(=O)[C@H](CC2=CC=CC=C2)NC1=O
|
|
| MCULE-3147070749 |
0.84 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1C=CC=CC=1)C(=O)NCCN(C(C1=CC=CC=C1)=O)CC(=O)N[C@@H]([C@@H](C)CC)C2=O)O
|
|
| MCULE-8343143122 |
0.84 |
N12C[C@@H](C[C@H]1C(=O)NCCC[C@H](NC(=O)CC1=CC=CC=C1Cl)C(=O)N[C@H](CC1C=CC=CC=1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C2=O)O
|
|
| MCULE-7557119723 |
0.84 |
C1(=O)[C@@H](C(C)C)NC(=O)CN(CCNC([C@@H](CC2=CC=CC=C2)NC(=O)[C@H](CO)NC(=O)[C@H](C)N1)=O)C(=O)CN1CCC(CC1)C1C=CC=CC=1
|
|
| MCULE-1397630579 |
0.84 |
C1(=O)[C@@H](C(C)C)NC(=O)CN(CCNC([C@@H](CC2C=CC=CC=2)NC(=O)[C@H](CO)NC(=O)[C@H](C)N1)=O)CC1CCC1
|
|
| MCULE-8171313121 |
0.84 |
N12C[C@H](C[C@H]1C(=O)N[C@@H](CO)C(=O)N(C)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1C=CC=CC=1)C2=O)N
|
|
| MCULE-5943340510 |
0.84 |
N12C[C@H](C[C@H]1C(=O)N[C@@H](CO)C(=O)N(C)CC(=O)N[C@H](C(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C2=O)N
|
|
| MCULE-3749310735 |
0.84 |
N12C[C@@H](C[C@H]1C(=O)N1[C@H](CN(CC1)CCCC1=CC=CC=C1)C2=O)O
|
|
| MCULE-1972863735 |
0.84 |
N12CCC[C@H]1C(=O)NCCCC[C@H](NC(C1CCOCC1)=O)C(N[C@@H](CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](CC1C=CC=CC=1)C2=O)=O
|
|
| MCULE-2631087305 |
0.84 |
N1C(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H]1[C@H](C)O
|
|
| MCULE-5230998165 |
0.84 |
N1C(=O)[C@H](CC2C=CC=CC=2)NC(=O)[C@@H](C(C)C)NC(CN(C(CCCN2CCCCC2=O)=O)CCNC(=O)[C@@H]1[C@@H](C)O)=O
|
|
| MCULE-1062324404 |
0.84 |
N1[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCO)C1=O
|
|
| MCULE-2527812653 |
0.84 |
OC1CC(C(NCC2C3C=CC=CC=3C2)=O)NC1
|
|
| MCULE-9314090264 |
0.84 |
CC(N1[C@@H](C(N[C@H]2[C@H](C3=CC=CC=C3)CN(CC(F)(F)F)C2)=O)C[C@@H](O)C1)=O
|
|
| MCULE-3750526565 |
0.84 |
N1C(=O)[C@H](CC2C=CC=CC=2)NC(=O)[C@@H](C(C)C)NC(CN(C(CCCC(C)C)=O)CCNC(=O)[C@@H]1[C@@H](C)O)=O
|
|
| MCULE-1903934885 |
0.84 |
N12CCC[C@H]1C(=O)NCCCC[C@H](NC(COC)=O)C(N[C@@H](CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](CC1C=CC=CC=1)C2=O)=O
|
|
| MCULE-1061624773 |
0.84 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCN(C(=O)[C@@H]1CCCO1)CC(=O)N[C@@H]([C@@H](C)CC)C2=O)O
|
|
| MCULE-3365475477 |
0.84 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCN(C(=O)[C@H]1CCCO1)CC(=O)N[C@@H]([C@@H](C)CC)C2=O)O
|
|
| MolPort-045-918-337 |
0.84 |
CC(C)[C@H]1NC(=O)CN(CCNC(=O)[C@@H](NC(=O)[C@H](CC2=CC=CC=C2)NC1=O)[C@@H](C)O)C(=O)CCCN1CCCCC1=O
|
|
| MolPort-045-956-516 |
0.84 |
OCC[C@@H]1NC(=O)[C@H](CC2=CC=CC=C2)NC1=O
|
|
| MolPort-012-968-623 |
0.84 |
OC1CNC(C1)C(=O)NCC1CC2=CC=CC=C12
|
|
| MolPort-046-788-523 |
0.84 |
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CO)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(O)=O
|
|
| MolPort-046-107-432 |
0.84 |
CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@@H]1CN(CC(F)(F)F)C[C@H]1C1=CC=CC=C1
|
|
| MolPort-046-567-367 |
0.84 |
CC[C@@H]1NC(=O)[C@H](CCCCNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](NC1=O)[C@@H](C)O)NC(=O)COC
|
|
| MolPort-045-934-517 |
0.84 |
CC[C@H](C)[C@@H]1NC(=O)CN(CCNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(=O)[C@H]1CCCO1
|
|
| MolPort-046-568-836 |
0.83 |
CC[C@@H]1NC(=O)[C@H](CCCCNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](NC1=O)[C@@H](C)O)NC(=O)C1CCN(C)CC1
|
|
| MolPort-019-939-180 |
0.83 |
CC(C)[C@H](N)C(=O)NCC(=O)N[C@H](CO)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](C)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O
|
|
| MolPort-002-119-905 |
0.83 |
CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(C)=O)C(O)=O
|
|
| MolPort-016-581-003 |
0.83 |
C[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O
|
|
| MolPort-046-567-335 |
0.83 |
CC[C@H]1CN(CC(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N1)C(=O)CO
|
|
| MolPort-046-702-189 |
0.83 |
CC(NC(=O)C(N)CC1=CC=C(O)C=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N1CCCC1C(=O)NC(CO)C(N)=O
|
|
| MCULE-9850657697 |
0.83 |
N12CCC[C@H]1C(=O)NCCCC[C@H](NC(=O)C1CCN(CC1)C)C(N[C@@H](CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](CC1=CC=CC=C1)C2=O)=O
|
|
| MCULE-1481751445 |
0.83 |
C(C)(C)[C@@H](C(NCC(N[C@H](CO)C(N[C@H](CCC(O)=O)C(N[C@@H](C(N[C@H](C(N)=O)CC1C=CC=CC=1)=O)C)=O)=O)=O)=O)N
|
|
| MCULE-3764930303 |
0.83 |
C(N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N)(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](C)NC(=O)[C@@H](N)CC1C=CC(O)=CC=1)CC1C=CC=CC=1)CC1C=CC(O)=CC=1
|
|
| MCULE-6526621171 |
0.83 |
C(=O)(C(CC1C=CC=CC=1)NC(C)=O)NC(CC(C)C)C(O)=O
|
|
| MCULE-3944465486 |
0.83 |
N1C(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H](C(C)C)NC(CN(CCO)CCNC(=O)[C@@H]1[C@@H](C)O)=O
|
|
| MCULE-2497665272 |
0.83 |
N1(C[C@H](CC)NC(=O)[C@H](CC2=CC=CC=C2)NC([C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C1)=O)C(CO)=O
|
|
| MCULE-9948023262 |
0.83 |
CN1C(C(NCC(NCCC2=CC=CC=C2)=O)=O)(C)CC(O)C1
|
|
| MCULE-8321324636 |
0.83 |
N12C[C@@H](C[C@H]1C(=O)NCCC[C@H](NC(C1=CC=CC=C1)=O)C(=O)N[C@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C2=O)O
|
|
| MCULE-8041432928 |
0.83 |
N12C[C@@H](C[C@H]1C(=O)NCCC[C@H](NC(=O)[C@H](OC)C1C=CC=CC=1)C(=O)N[C@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C2=O)O
|
|
| MCULE-9155619954 |
0.83 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1C=CC=CC=1)C(=O)NCCN(C(CCC1C=NNC=1)=O)CC(=O)N[C@@H]([C@@H](C)CC)C2=O)O
|
|
| MCULE-2232183828 |
0.83 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCN(CC1C=CC(=CC=1)F)CC(=O)N[C@@H]([C@@H](C)CC)C2=O)O
|
|
| MCULE-4731613510 |
0.83 |
C1(=O)[C@@H](C(C)C)NC(=O)CN(CCNC([C@@H](CC2=CC=CC=C2)NC(=O)[C@H](CO)NC(=O)[C@H](C)N1)=O)CC(=O)N1CCCCCC1
|
|
| MCULE-7519989368 |
0.83 |
N1C(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H](C(C)C)NC(CN(C(CCC2CCN(CC2)C)=O)CCNC(=O)[C@@H]1[C@@H](C)O)=O
|
|
| MCULE-5922598019 |
0.83 |
N1C(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H](C(C)C)NC(CN(C(C2CCCC2)=O)CCNC(=O)[C@@H]1[C@@H](C)O)=O
|
|
| MCULE-1693106493 |
0.83 |
N1C(=O)[C@H](CC2C=CC=CC=2)NC(=O)[C@@H](C(C)C)NC(CN(C(CCCC2C=CC=CC=2)=O)CCNC(=O)[C@@H]1[C@@H](C)O)=O
|
|
| MCULE-7335277712 |
0.83 |
N12C[C@H](C[C@H]1C(=O)N[C@@H](CO)C(=O)N(C)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C2=O)NC(=O)CN1CCCC1=O
|
|
| MCULE-4816584110 |
0.83 |
N12C[C@H](C[C@H]1C(=O)N[C@@H](CO)C(=O)N(C)CC(=O)N[C@H](C(C)C)C(=O)N[C@@H](CC1C=CC=CC=1)C2=O)NC(=O)CCO
|
|
| MCULE-6317062538 |
0.83 |
N12C[C@H](C[C@H]1C(=O)N[C@@H](CO)C(=O)N(C)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1C=CC=CC=1)C2=O)NC(=O)C(C)(C)C
|
|
| MCULE-9748100137 |
0.83 |
N1C(=O)[C@H](CC2C=CC=CC=2)NC(=O)[C@@H](C(C)C)NC(CN(C(=O)CN2CCCCCCC2)CCNC(=O)[C@@H]1[C@@H](C)O)=O
|
|
| MCULE-8429373571 |
0.83 |
CC(N1[C@@H](C(NCC2(C3=CC=CC=C3)CCOCC2)=O)C[C@@H](O)C1)=O
|
|
| MolPort-046-578-573 |
0.83 |
CO[C@@H](C(=O)N[C@H]1CCCNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC2=CC=CC=C2)NC1=O)C1=CC=CC=C1
|
|
| MolPort-046-576-793 |
0.83 |
CC(C)C[C@@H]1NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@H](CCCNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](C)NC1=O)NC(=O)C1=CC=CC=C1
|
|
| MolPort-045-925-756 |
0.83 |
CC[C@H](C)[C@@H]1NC(=O)CN(CC2=CC=C(F)C=C2)CCNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O
|
|
| MolPort-045-918-973 |
0.83 |
CC(C)[C@H]1NC(=O)CN(CCNC(=O)[C@@H](NC(=O)[C@H](CC2=CC=CC=C2)NC1=O)[C@@H](C)O)C(=O)C1CCCC1
|
|
| MolPort-045-918-307 |
0.83 |
CC(C)[C@H]1NC(=O)CN(CC(=O)N2CCCCCC2)CCNC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC1=O
|
|
| MolPort-045-933-689 |
0.83 |
CC(C)C[C@@H]1NC(=O)CN(C)C(=O)[C@H](CO)NC(=O)[C@@H]2C[C@@H](CN2C(=O)[C@H](CC2=CC=CC=C2)NC1=O)NC(=O)CN1CCCC1=O
|
|
| MolPort-045-946-808 |
0.83 |
CC(C)[C@H]1NC(=O)CN(CCNC(=O)[C@@H](NC(=O)[C@H](CC2=CC=CC=C2)NC1=O)[C@@H](C)O)C(=O)CN1CCCCCCC1
|
|
| MolPort-044-456-982 |
0.83 |
CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCC1(CCOCC1)C1=CC=CC=C1
|
|
| MolPort-019-939-181 |
0.82 |
CC(C)C[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@H]([C@H](C)O)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](C(C)C)C(O)=O
|
|
| MolPort-046-418-698 |
0.82 |
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(O)=O
|
|
| MolPort-046-702-284 |
0.82 |
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)CNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O
|
|
| MolPort-046-788-477 |
0.82 |
OC(=O)C(F)(F)F.CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CO)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(O)=O
|
|
| MolPort-019-939-156 |
0.82 |
CC(C)C[C@H](NC(=O)CNC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)[C@H](CO)NC(=O)[C@@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CO)NC(=O)CNC(=O)CN)C(N)=O
|
|
| MolPort-002-515-657 |
0.82 |
OC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]1CCCN1
|
|
| MolPort-045-931-674 |
0.82 |
CC[C@H](C)[C@@H]1NC(=O)CN(CC2=CC(O)=CC=C2)CCNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O
|
|
| MolPort-045-933-530 |
0.82 |
CC[C@H](C)[C@@H]1NC(=O)CN(CCNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(=O)CC1=CC(OC)=CC=C1
|
|
| MolPort-045-934-219 |
0.82 |
CC[C@H](C)[C@@H]1NC(=O)CN(CCNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(=O)CC1=C(C)C=CC(F)=C1
|
|
| MolPort-046-576-437 |
0.82 |
CC(C)C[C@@H]1NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@H](CCCNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](C)NC1=O)NC(=O)[C@H]1CCCO1
|
|
| MolPort-046-577-143 |
0.82 |
CC(C)C[C@@H]1NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@H](CCCNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](C)NC1=O)NC(=O)[C@@H]1CCCO1
|
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| MolPort-045-917-199 |
0.82 |
CC(C)[C@H]1NC(=O)CN(CCNC(=O)[C@@H](NC(=O)[C@H](CC2=CC=CC=C2)NC1=O)[C@@H](C)O)C(=O)CNC(C)=O
|
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| MolPort-045-915-297 |
0.82 |
CC(C)[C@H]1NC(=O)CNCCNC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC1=O
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|
| MolPort-045-918-860 |
0.82 |
CC(C)[C@H]1NC(=O)CNCCNC(=O)[C@@H](NC(=O)[C@H](CC2=CC=CC=C2)NC1=O)[C@@H](C)O
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| MolPort-045-916-427 |
0.82 |
CC(C)[C@H]1NC(=O)CN(CCNC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC1=O)C(=O)C(C)C
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|
| MolPort-045-915-663 |
0.82 |
CC(C)[C@H]1NC(=O)CN(CCNC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC1=O)C(C)=O
|
|
| MCULE-2619734085 |
0.82 |
OC([C@H](NC([C@@H]1NC(=O)CC1)=O)CC1C=CC=CC=1)=O
|
|
| MCULE-3413824940 |
0.82 |
OCC1(CN(C(C2N(C(CC3=CC=CC=C3)=O)CCC2)=O)CC1)O
|
|
| MCULE-7931757094 |
0.82 |
OC([C@H](NC([C@H]1NC(=O)CC1)=O)CC1C=CC=CC=1)=O
|
|
| MCULE-6160145629 |
0.82 |
C(N1CCC[C@H]1C(=O)NCC(N1CCC[C@H]1C(=O)N[C@H](C(=O)O)[C@@H](C)CC)=O)(=O)[C@@H](NC([C@@H]1CCCN1C(=O)[C@@H](N)CC1C=CC(O)=CC=1)=O)CC1C=CC=CC=1
|
|
| MCULE-6667041228 |
0.82 |
C(C1C=CC=CC=1)[C@H](N)C(N[C@H](CC(C)C)C(NCC(N[C@@H](CCC(O)=O)C(N[C@@H](CC(C)C)C(N[C@@H]([C@@H](O)C)C(N[C@@H](CO)C(N[C@@H](CO)C(N[C@@H](CCC(O)=O)C(N[C@@H](C(C)C)C(N[C@@H](C(N[C@H]([C@@H](O)C)C(N[C@H](CCC(O)=O)C(N[C@H](C(C)C)C(O)=O)=O)=O)=O)C)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O
|
|
| MCULE-8755863060 |
0.82 |
CCCC(N1C(C(N2C[C@@H](C3C=CC=CC=3)[C@@H](C(=O)O)C2)=O)CCC1)=O
|
|
| MCULE-6130013345 |
0.82 |
CC(CC(N1C(C(N2C[C@@H](C3C=CC=CC=3)[C@@H](C(=O)O)C2)=O)CCC1)=O)(C)C
|
|
| MCULE-4615376925 |
0.82 |
C(N)C(NCC(N[C@H](CO)C(N[C@H](CC(C)C)C(N[C@@H](C(N[C@@H](CO)C(N[C@@H](C(NCC(N[C@@H](CC(C)C)C(N)=O)=O)=O)CC1C=CC=CC=1)=O)=O)CC1C=CC(O)=CC=1)=O)=O)=O)=O
|
|
| MCULE-4335664510 |
0.82 |
N12C[C@@H](C[C@H]1C(=O)NCCC[C@H](NC(=O)[C@@H]1CCCO1)C(=O)N[C@H](CC1C=CC=CC=1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C2=O)O
|
|
| MCULE-5601395786 |
0.82 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCN(C(=O)CC1=CC=CC(OC)=C1)CC(=O)N[C@@H]([C@@H](C)CC)C2=O)O
|
|
| MCULE-9936281059 |
0.82 |
N12C[C@@H](C[C@H]1C(=O)NCCC[C@H](NC(=O)[C@H]1CCCO1)C(=O)N[C@H](CC1C=CC=CC=1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C2=O)O
|
|
| MCULE-2997361664 |
0.82 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCN(CC1=CC=CC(O)=C1)CC(=O)N[C@@H]([C@@H](C)CC)C2=O)O
|
|
| MCULE-5665322222 |
0.82 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1C=CC=CC=1)C(=O)NCCN(C(=O)CC1C=C(F)C=CC=1C)CC(=O)N[C@@H]([C@@H](C)CC)C2=O)O
|
|
| MCULE-7863410606 |
0.82 |
N1C(=O)[C@H](CC2C=CC=CC=2)NC(=O)[C@@H](C(C)C)NC(CNCCNC(=O)[C@@H]1[C@@H](C)O)=O
|
|
| MCULE-7032722634 |
0.82 |
N1C(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H](C(C)C)NC(CN(C(C)=O)CCNC(=O)[C@@H]1[C@@H](C)O)=O
|
|
| MCULE-8228255768 |
0.82 |
C(=O)([C@@H]1CCCN1)N[C@@]([H])(CC1C=CC=CC=1)C(O)=O
|
|
| MCULE-2901589869 |
0.82 |
C1C=C(CC(NC(=O)C2CCCN2)C(=O)O)C=CC=1
|
|
| MCULE-9756453464 |
0.82 |
C1(=O)[C@@H](C(C)C)NC(=O)CN(CCNC([C@@H](CC2C=CC=CC=2)NC(=O)[C@H](CO)NC(=O)[C@H](C)N1)=O)C(C)=O
|
|
| MCULE-9197777005 |
0.82 |
N1C(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H](C(C)C)NC(CN(C(=O)CNC(C)=O)CCNC(=O)[C@@H]1[C@@H](C)O)=O
|
|
| MCULE-3104877728 |
0.82 |
C1(=O)[C@@H](C(C)C)NC(CNCCNC([C@@H](CC2=CC=CC=C2)NC(=O)[C@H](CO)NC(=O)[C@H](C)N1)=O)=O
|
|
| MCULE-3440203403 |
0.82 |
C1(=O)[C@@H](C(C)C)NC(=O)CN(CCNC([C@@H](CC2C=CC=CC=2)NC(=O)[C@H](CO)NC(=O)[C@H](C)N1)=O)C(C(C)C)=O
|
|
| MCULE-3360761933 |
0.82 |
C(C)(C)[C@@H](C(N[C@H](CCCCN)C(N[C@@H](C(NCC(N[C@@H](C(C)C)C(NCC(N[C@@H](C(N[C@H](CCCCN)C(O)=O)=O)CC1C=CC=CC=1)=O)=O)=O)=O)CC1C=CC=CC=1)=O)=O)N
|
|
| MCULE-1867500360 |
0.82 |
CN1C(C(N[C@H]2[C@H](C3=CC=C(F)C=C3)C2)=O)(C)CC(O)C1
|
|
| MCULE-8393270792 |
0.82 |
N1(CCC(O)(C2C=CC=CC=2)C1)C(=O)CN1CCCCCC1=O
|
|
| MCULE-1407713396 |
0.82 |
N12C[C@H](C[C@H]1C(=O)N[C@@H](CO)C(=O)N(C)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1C=CC=CC=1)C2=O)NC(=O)[C@@H]1CCC(=O)N1
|
|
| MCULE-4591814098 |
0.82 |
N12C[C@H](C[C@H]1C(=O)N[C@@H](CO)C(=O)N(C)CC(=O)N[C@H](C(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C2=O)NC(=O)[C@@H]1CCC(=O)N1
|
|
| MCULE-2644354950 |
0.82 |
N12C[C@H](C[C@H]1C(=O)N[C@@H](CO)C(=O)N(C)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C2=O)NC([C@H](C)O)=O
|
|
| MCULE-4117413913 |
0.82 |
N12C[C@H](C[C@H]1C(=O)N[C@@H](CO)C(=O)N(C)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C2=O)NC(=O)C1CCN(CC1)C
|
|
| MCULE-4162150271 |
0.82 |
N12C[C@H](C[C@H]1C(=O)N[C@@H](CO)C(=O)N(C)CC(=O)N[C@H](C(C)C)C(=O)N[C@@H](CC1C=CC=CC=1)C2=O)NC(=O)C1CCN(CC1)C(C)=O
|
|
| MCULE-9815831821 |
0.82 |
N12C[C@H](C[C@H]1C(=O)N[C@@H](CO)C(=O)N(C)CC(=O)N[C@H](C(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C2=O)NC(=O)CN1CCCCC1=O
|
|
| MCULE-7830282747 |
0.82 |
N12C[C@H](C[C@H]1C(=O)N[C@@H](CO)C(=O)N(C)CC(=O)N[C@H](C(C)C)C(=O)N[C@@H](CC1C=CC=CC=1)C2=O)NC([C@@H](C)O)=O
|
|
| MCULE-3476313275 |
0.82 |
N12C[C@H](C[C@H]1C(=O)N[C@@H](CO)C(=O)N(C)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C2=O)NC(=O)C1CC1
|
|
| MCULE-7497706384 |
0.82 |
N12C[C@H](C[C@H]1C(=O)N[C@@H](CO)C(=O)N(C)CC(=O)N[C@H](C(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C2=O)NC(=O)[C@H]1CCC(=O)N1
|
|
| MCULE-2082172374 |
0.82 |
N12C[C@H](C[C@H]1C(=O)N[C@@H](CO)C(=O)N(C)CC(=O)N[C@H](C(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C2=O)NC(C1CCC1)=O
|
|
| MCULE-9571780399 |
0.82 |
NC([C@H]1N(C(CCC2=CC=C(F)C=C2)=O)C[C@H](O)C1)=O
|
|
| MCULE-8198264100 |
0.82 |
CC(N1[C@@H](C(NCC2(C3=CC(Cl)=CC=C3)CC2)=O)C[C@@H](O)C1)=O
|
|
| MCULE-2392272196 |
0.82 |
CC(N1[C@@H](C(N2C(CC3=CC=C(F)C=C3)(C)CCC2)=O)C[C@H](O)C1)=O
|
|
| MCULE-5115439982 |
0.82 |
CN1C(=O)CCC1C(N[C@@H](C(=O)O)CC1C=CC=CC=1)=O
|
|
| MCULE-6915087418 |
0.82 |
C(O)(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N
|
|
| MolPort-039-218-276 |
0.82 |
OC1(CCN(C1)C(=O)CN1CCCCCC1=O)C1=CC=CC=C1
|
|
| MolPort-023-276-395 |
0.82 |
CC(C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCCN)C(O)=O
|
|
| MolPort-019-939-034 |
0.82 |
CC(C)[C@H](N)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CC1=CC=CC=C1)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@H](CC1=CC=CC=C1)C(=O)N[C@H](CCCCN)C(O)=O
|
|
| MolPort-045-915-434 |
0.82 |
CC(C)[C@H]1NC(=O)CN(C)C(=O)[C@H](CO)NC(=O)[C@@H]2C[C@@H](CN2C(=O)[C@H](CC2=CC=CC=C2)NC1=O)NC(=O)C1CCC1
|
|
| MolPort-045-935-184 |
0.82 |
CC(C)[C@H]1NC(=O)CN(C)C(=O)[C@H](CO)NC(=O)[C@@H]2C[C@@H](CN2C(=O)[C@H](CC2=CC=CC=C2)NC1=O)NC(=O)[C@@H](C)O
|
|
| MolPort-045-931-625 |
0.82 |
CC(C)[C@H]1NC(=O)CN(C)C(=O)[C@H](CO)NC(=O)[C@@H]2C[C@@H](CN2C(=O)[C@H](CC2=CC=CC=C2)NC1=O)NC(=O)[C@@H]1CCC(=O)N1
|
|
| MolPort-045-932-952 |
0.82 |
CC(C)[C@H]1NC(=O)CN(C)C(=O)[C@H](CO)NC(=O)[C@@H]2C[C@@H](CN2C(=O)[C@H](CC2=CC=CC=C2)NC1=O)NC(=O)[C@H]1CCC(=O)N1
|
|
| MolPort-045-917-897 |
0.82 |
CC(C)[C@H]1NC(=O)CN(C)C(=O)[C@H](CO)NC(=O)[C@@H]2C[C@@H](CN2C(=O)[C@H](CC2=CC=CC=C2)NC1=O)NC(=O)C1CCN(CC1)C(C)=O
|
|
| MolPort-045-995-922 |
0.82 |
NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CCC1=CC=C(F)C=C1
|
|
| MolPort-035-392-830 |
0.82 |
CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCC1(CC1)C1=CC=CC(Cl)=C1
|
|
| MolPort-040-831-647 |
0.82 |
CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCCC1(C)CC1=CC=C(F)C=C1
|
|
| MolPort-042-361-654 |
0.82 |
CN1C(CCC1=O)C(=O)N[C@H](CC1=CC=CC=C1)C(O)=O
|
|
| MolPort-046-683-512 |
0.82 |
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(O)=O
|
|
| MolPort-023-276-020 |
0.82 |
CC(C)C[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)[C@@H](CO)NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
|
|
| MolPort-046-418-702 |
0.81 |
CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)NCC(O)=O
|
|
| MolPort-046-132-170 |
0.81 |
CC(=O)N1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](CC2=CC=CC=C2)C1
|
|
| MolPort-045-934-842 |
0.81 |
CC[C@H](C)[C@@H]1NC(=O)CN(CC2=C(F)C=CC=C2)CCNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O
|
|
| MolPort-045-934-033 |
0.81 |
CC[C@H](C)[C@@H]1NC(=O)CN(CCNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(=O)CCCC1=CNN=C1
|
|
| MolPort-045-934-479 |
0.81 |
CC[C@H](C)[C@@H]1NC(=O)CN(CCNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(=O)C1=CC=C(CCN)C=C1
|
|
| MolPort-039-140-877 |
0.81 |
CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O
|
|
| MolPort-045-931-779 |
0.81 |
CC(C)[C@H]1NC(=O)CN(CCNC(=O)[C@@H](NC(=O)[C@H](CC2=CC=CC=C2)NC1=O)[C@@H](C)O)C(=O)C1CC1
|
|
| MolPort-045-917-533 |
0.81 |
CC(C)[C@H]1NC(=O)CN(CC(N)=O)CCNC(=O)[C@@H](NC(=O)[C@H](CC2=CC=CC=C2)NC1=O)[C@@H](C)O
|
|
| MolPort-039-293-751 |
0.81 |
OC(CNC(=O)C1CC(O)CN1)CC1=CC=CC=C1
|
|
| MolPort-019-939-104 |
0.81 |
C[C@@H](O)[C@H](NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)NCC(=O)N[C@@H](C)C(O)=O
|
|
| MolPort-023-276-056 |
0.81 |
C[C@@H](O)[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)NCC(=O)N[C@@H](C)C(O)=O
|
|
| MolPort-046-418-758 |
0.81 |
CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](C)C(O)=O
|
|
| MolPort-046-788-307 |
0.81 |
CC(O)=O.C[C@@H](O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)CNC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(O)=O
|
|
| MolPort-046-570-366 |
0.81 |
CC[C@@H]1NC(=O)[C@H](CCCCNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](NC1=O)[C@@H](C)O)NC(=O)C1CC2=CC=CC=C2C1
|
|
| MolPort-002-200-148 |
0.81 |
CC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCC(O)=O)C(O)=O
|
|
| MolPort-045-915-024 |
0.81 |
CC(C)[C@H]1NC(=O)CN(CCNC(=O)[C@@H](NC(=O)[C@H](CC2=CC=CC=C2)NC1=O)[C@@H](C)O)C(=O)C1CCN(C)CC1
|
|
| MCULE-8462803046 |
0.81 |
OC1CN(C(CC2=C(F)C=CC=C2)=O)C(C(NC2CC(C3=CC=CC=C3)C2)=O)C1
|
|
| MCULE-6042498337 |
0.81 |
[C@@H](NC(=O)CN)(C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)NCC(=O)O)CC1C=CC=CC=1
|
|
| MCULE-5133057683 |
0.81 |
CC(N1[C@H](C(N2C[C@@H](CC3=CC=CC=C3)[C@H](O)C2)=O)CCC1)=O
|
|
| MCULE-6486934836 |
0.81 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCN(CC1=CC=CC=C1F)CC(=O)N[C@@H]([C@@H](C)CC)C2=O)O
|
|
| MCULE-8795542683 |
0.81 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1C=CC=CC=1)C(=O)NCCN(C(=O)C1C=CC(=CC=1)CCN)CC(=O)N[C@@H]([C@@H](C)CC)C2=O)O
|
|
| MCULE-5240605155 |
0.81 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCN(C(CCCC1C=NNC=1)=O)CC(=O)N[C@@H]([C@@H](C)CC)C2=O)O
|
|
| MCULE-8499310221 |
0.81 |
C1(=O)[C@@H](C(C)C)NC(=O)CN(CCNC([C@@H](CC2=CC=CC=C2)NC(=O)[C@H](CO)NC(=O)[C@H](C)N1)=O)C(=O)C1(CCC1)COC
|
|
| MCULE-8498418454 |
0.81 |
O=C([C@@H]1CCCN1C([C@H](CCC/N=C(\N)/N)N)=O)N1CCC[C@H]1C(NCC(N[C@@H](CC1=CC=CC=C1)C(N[C@@H](CO)C(N1CCC[C@H]1C(N[C@H](C(=O)O)CC1=CC=CC=C1)=O)=O)=O)=O)=O
|
|
| MCULE-4038789041 |
0.81 |
N1C(=O)[C@H](CC2C=CC=CC=2)NC(=O)[C@@H](C(C)C)NC(CN(CC(N)=O)CCNC(=O)[C@@H]1[C@@H](C)O)=O
|
|
| MCULE-8278312322 |
0.81 |
OC(CC1C=CC=CC=1)CNC(C1NCC(O)C1)=O
|
|
| MCULE-2801415557 |
0.81 |
C(C1C=CC=CC=1)[C@H](N)C(NCC(NCC(N[C@@H](C(N[C@@H]([C@H](O)C)C(NCC(N[C@H](C(O)=O)C)=O)=O)=O)CC1C=CC=CC=1)=O)=O)=O
|
|
| MCULE-6165751603 |
0.81 |
N1C(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H](C(C)C)NC(CN(C(=O)C2CC2)CCNC(=O)[C@@H]1[C@@H](C)O)=O
|
|
| MCULE-8618259726 |
0.81 |
CN1C(C(NCCC(C2=CC=CC=C2)O)=O)(C)CC(O)C1
|
|
| MCULE-5581096425 |
0.81 |
C1(=O)[C@@H](C(C)C)NC(=O)CN(CCNC([C@@H](CC2=CC=CC=C2)NC(=O)[C@H](CO)NC(=O)[C@H](C)N1)=O)C(=O)C1(C)CC1
|
|
| MCULE-8161139065 |
0.81 |
O=C(CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1C=CC(O)=CC=1)CC1C=CC=CC=1)O
|
|
| MCULE-6288736507 |
0.81 |
C(N[C@@H](CCCCN)C(N[C@@H](CC(C)C)C(N[C@@H](C(C)C)C(N[C@@H](CC1=CC=CC=C1)C(N[C@@H](CC1=CC=CC=C1)C(N[C@@H](C)C(O)=O)=O)=O)=O)=O)=O)([C@H](CCC(N)=O)N)=O
|
|
| MCULE-9075525573 |
0.81 |
N12CCC[C@H]1C(=O)NCCCC[C@H](NC(=O)C1CC3=C(C=CC=C3)C1)C(N[C@@H](CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](CC1=CC=CC=C1)C2=O)=O
|
|
| MCULE-4688906675 |
0.81 |
N1C(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H](C(C)C)NC(CN(C(=O)C2CCN(CC2)C)CCNC(=O)[C@@H]1[C@@H](C)O)=O
|
|
| MCULE-6665586398 |
0.81 |
C(=O)(C(CC1C=CC=CC=1)NC(C)=O)NC(CCC(O)=O)C(O)=O
|
|
| MCULE-2453356137 |
0.81 |
C1=CC=CC(CC(C(=O)NC(C(C)C)C(O)=O)NC(=O)C)=C1
|
|
| MCULE-3091653299 |
0.81 |
OC1CC(C(N2CCC(C3C=CC=CC=3)CC2)=O)NC1
|
|
| MCULE-3599415739 |
0.81 |
N12CCC[C@H]1C(=O)N[C@@H](CC1C=CC=CC=1)C2=O
|
|
| MCULE-5342032561 |
0.81 |
N12CCC[C@H]1C(=O)N[C@H](CC1C=CC=CC=1)C2=O
|
|
| MCULE-8013779869 |
0.81 |
N12CCC[C@H]1C(=O)N[C@@H](CC1C=CC=CC=1)C2=O
|
|
| MCULE-4394434028 |
0.81 |
CC(C1=CC=CC=C1)CNC(C1(N(C)CC(O)C1)C)=O
|
|
| MCULE-5108475207 |
0.81 |
N12CCCC1C(=O)NC(CC1C=CC=CC=1)C2=O
|
|
| MCULE-2848973662 |
0.81 |
C1C=C(C[C@@H]2C(=O)N3CCC[C@@]3([H])C(=O)N2)C=CC=1
|
|
| MolPort-014-497-724 |
0.81 |
OC1CNC(C1)C(=O)N1CCC(CC1)C1=CC=CC=C1
|
|
| MolPort-001-739-299 |
0.81 |
CC(C)C(NC(=O)C(CC1=CC=CC=C1)NC(C)=O)C(O)=O
|
|
| MolPort-046-689-305 |
0.81 |
OC(=O)C(F)(F)F.C[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O
|
|
| MolPort-000-134-526 |
0.81 |
O=C1N[C@@H](CC2=CC=CC=C2)C(=O)N2CCC[C@@H]12
|
|
| MolPort-000-134-527 |
0.81 |
O=C1N[C@H](CC2=CC=CC=C2)C(=O)N2CCC[C@@H]12
|
|
| MolPort-000-856-237 |
0.81 |
O=C1NC(CC2=CC=CC=C2)C(=O)N2CCCC12
|
|
| MolPort-046-567-739 |
0.80 |
CC[C@@H]1NC(=O)[C@H](CCCCNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](NC1=O)[C@@H](C)O)NC(=O)CCNC(C)=O
|
|
| MolPort-045-936-484 |
0.80 |
COCCC(=O)N[C@H]1C[C@@H]2N(C1)C(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](NC(=O)CN(C)C(=O)[C@H](CO)NC2=O)C(C)C
|
|
| MolPort-045-917-739 |
0.80 |
COCC(C)(C)C(=O)N[C@H]1C[C@@H]2N(C1)C(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](NC(=O)CN(C)C(=O)[C@H](CO)NC2=O)C(C)C
|
|
| MolPort-027-861-640 |
0.80 |
OC(=O)[C@@H]1CN(C[C@H]1C1=CC=CC=C1)C(=O)CN1CCCCC1=O
|
|
| MolPort-046-418-739 |
0.80 |
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(C)C)C(O)=O
|
|
| MolPort-039-085-484 |
0.80 |
CC1(C)CN(CC1O)C(=O)C1CCCN1C(=O)CC1=CC=CC=C1
|
|
| MolPort-042-640-290 |
0.80 |
CC(=O)NC(C)(C)C(=O)N1CCC(O)(C1)C1=CC=CC=C1
|
|
| MCULE-6577204597 |
0.80 |
C1(=O)[C@@H](C(C)C)NC(=O)CN(CCNC([C@@H](CC2C=CC=CC=2)NC(=O)[C@H](CO)NC(=O)[C@H](C)N1)=O)C(=O)[C@H](C)C1C=CC=CC=1
|
|
| MCULE-9654279599 |
0.80 |
C1(=O)[C@@H](C(C)C)NC(=O)CN(CCNC([C@@H](CC2C=CC=CC=2)NC(=O)[C@H](CO)NC(=O)[C@H](C)N1)=O)C(=O)CCOC
|
|
| MCULE-4756023438 |
0.80 |
C(=O)(N[C@@H](C)CO)[C@@H](CC1C=CC=CC=1)NC(=O)[C@@H]1CC[C@H](CC1)C(C)C
|
|
| MCULE-3855283235 |
0.80 |
CCCC(C(NC(C(=O)O)CC1C=CC=CC=1)=O)NC(CC1C=CC=CC=1)=O
|
|
| MCULE-5740404813 |
0.80 |
CC(NC(C1NCC(O)C1)=O)CC1=C(C)C=CC=C1
|
|
| MCULE-8656314512 |
0.80 |
N1(C[C@H]([C@H](C(O)=O)C1)C1C=CC=CC=1)C(=O)CN1CCCCC1=O
|
|
| MCULE-9797821199 |
0.80 |
C(O)(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N
|
|
| MCULE-8163887939 |
0.80 |
N12CCC[C@H]1C(=O)NCCCC[C@H](NC(=O)CCNC(C)=O)C(N[C@@H](CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](CC1C=CC=CC=1)C2=O)=O
|
|
| MCULE-5835101292 |
0.80 |
N12C[C@H](C[C@H]1C(=O)N[C@@H](CO)C(=O)N(C)CC(=O)N[C@H](C(C)C)C(=O)N[C@@H](CC1C=CC=CC=1)C2=O)NC(=O)C(C)(C)COC
|
|
| MCULE-5716524591 |
0.80 |
N12C[C@H](C[C@H]1C(=O)N[C@@H](CO)C(=O)N(C)CC(=O)N[C@H](C(C)C)C(=O)N[C@@H](CC1C=CC=CC=1)C2=O)NC(=O)CCOC
|
|
| MCULE-4715351553 |
0.80 |
N1(C[C@@H]2C[C@@H](CN2C(=O)[C@@H]1CC1C=CC=CC=1)OC)C(NC)=O
|
|
| MCULE-1173970231 |
0.80 |
CN1C(C(NCC(C2=CC=CC=C2)O)=O)(C)CC(O)C1
|
|
| MCULE-6959645423 |
0.80 |
CC1(C(O)CN(C(C2N(C(CC3=CC=CC=C3)=O)CCC2)=O)C1)C
|
|
| MCULE-8811189762 |
0.80 |
N1(CCC(O)(C2C=CC=CC=2)C1)C(=O)C(C)(C)NC(C)=O
|
|
| MCULE-9567180664 |
0.80 |
OC([C@H](NC(CN1C(=O)CCCC1)=O)CC1C=CC=CC=1)=O
|
|
| MCULE-6245849804 |
0.80 |
CN(C(C1(N(C)CC(O)C1)C)=O)CC(C1=CC=CC=C1)(O)C
|
|
| MCULE-8848455960 |
0.80 |
CC(CCC(NCC(N1C[C@@H](C2C=CC=CC=2)[C@@H](C(=O)O)C1)=O)=O)C
|
|
| MCULE-1272073009 |
0.80 |
N12CCC[C@@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@H](CN(C(COC)=O)CC(=O)N[C@@H](C)C2=O)CC1C=CC=CC=1
|
|
| MCULE-4230699511 |
0.80 |
C(N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H](C(=O)O)CC(C)C)CC1C=CC(O)=CC=1)(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](N)CCCCN
|
|
| MCULE-7038033361 |
0.80 |
C(CCCN)[C@@H](C(N[C@H](C(N1[C@H](CCC1)C(N[C@@H](C(N[C@H](C(N[C@@H](CC(C)C)C(O)=O)=O)[C@H](C)CC)=O)CC1C=CC(O)=CC=1)=O)=O)[C@H](C)CC)=O)N
|
|
| MCULE-8549603200 |
0.80 |
CC(C(C(N1CC(C)(C)C(C2=CC=CC=C2)C1)=O)NC(C1CC1)=O)O
|
|
| MCULE-9861045980 |
0.80 |
OCC(CC1C=CC=CC=1)NC(=O)C1CCCN1C(=O)C(C)(C)NC(=O)C(CC(C)C)NC(=O)C(C)(C)NC(=O)C(CCC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(C)(C)NC(=O)C(CC(C)C)NC(=O)C(C)(C)NC(=O)C(C(C)O)NC(=O)C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(CCC(O)=O)NC(=O)C(C(C)C)NC(=O)C(CCC(O)=O)NC(=O)C(C)NC(C)=O
|
|
| MCULE-6215165373 |
0.80 |
C(=O)(C(CC1C=CC=CC=1)NC(C)=O)NC(CC1=CC=CC=C1)C(O)=O
|
|
| MCULE-1999582178 |
0.80 |
O=C([C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C)CC(=O)O)CC1C=CC=CC=1)CCC(=O)O)CCC(=O)O)[C@H](CC)C)CCC(=O)O)CC1C=CC(O)=CC=1)CC(C)C)CCC(=O)N)O
|
|
| MCULE-3821448918 |
0.80 |
O=C([C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C)CC(=O)O)CC1C=CC=CC=1)CCC(=O)O)CCC(=O)O)[C@H](CC)C)CCC(=O)O)CC1C=CC(O)=CC=1)CC(C)C)CCC(=O)N)O
|
|
| MCULE-5569672495 |
0.80 |
C1(=O)[C@@H](C(C)C)NC(=O)CN(CCNC([C@@H](CC2=CC=CC=C2)NC(=O)[C@H](CO)NC(=O)[C@H](C)N1)=O)C(C1CCOCC1)=O
|
|
| MCULE-9551176595 |
0.80 |
N1C(=O)[C@H](CC2C=CC=CC=2)NC(=O)[C@@H](C(C)C)NC(CN(C(C2CCOCC2)=O)CCNC(=O)[C@@H]1[C@@H](C)O)=O
|
|
| MCULE-1147628533 |
0.80 |
C([C@H]1NC(=O)[C@H](CCN)NC(=O)[C@@]([H])(NC(=O)[C@H](CCN)NC(=O)[C@@H](N)[C@H](O)C)CCNC(=O)[C@]([H])([C@H](O)C)NC(=O)[C@H](CCN)NC(=O)[C@]([H])(CCN)NC(=O)[C@H](CC(C)C)NC1=O)C1C=CC=CC=1
|
|
| MCULE-2636726607 |
0.80 |
CN1C(C(NCC2(C3=C(C)C=CC=C3)CC2)=O)(C)CC(O)C1
|
|
| MCULE-5689703340 |
0.80 |
CC(C(=O)O)NC(C(NC(C12CC3CC(C1)CC(C3)C2)=O)CC1C=CC=CC=1)=O
|
|
| MCULE-3866772169 |
0.80 |
CN(C(C1NCC(O)C1)=O)CCC1C=CC=C2C=1C=CC=C2
|
|
| MCULE-8502871517 |
0.80 |
N1(C[C@@H]2C[C@@H](CN2C(=O)[C@@H]1CC1C=CC=CC=1)OC)C(=O)NC(C)C
|
|
| MCULE-8930881957 |
0.80 |
N12C[C@H](C[C@H]1C(=O)N[C@@H](CO)C(=O)N(C)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1C=CC=CC=1)C2=O)NC(C1CCOCC1)=O
|
|
| MCULE-9287769626 |
0.80 |
N1(C[C@@H]2C[C@@H](CN2C(=O)[C@@H]1CC1C=CC=CC=1)OC)C(NCCC1C=CC=CC=1)=O
|
|
| MCULE-2563196438 |
0.80 |
N12C[C@H](C[C@H]1C(=O)N[C@@H](CO)C(=O)N(C)CC(=O)N[C@H](C(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C2=O)NC(C1CCOCC1)=O
|
|
| MCULE-5909636243 |
0.80 |
N1(C[C@@H]2C[C@@H](CN2C(=O)[C@@H]1CC1C=CC=CC=1)OC)C(NCC)=O
|
|
| MCULE-7741793219 |
0.80 |
N12CCC[C@H]1C(=O)NCCCC[C@H](NC(=O)CCN1CCCCCC1=O)C(N[C@@H](CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](CC1=CC=CC=C1)C2=O)=O
|
|
| MCULE-1517014158 |
0.80 |
N12C[C@H](C[C@H]1C(=O)N[C@@H](CO)C(=O)N(C)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C2=O)NC(C1CCCC1)=O
|
|
| MCULE-5961567100 |
0.80 |
N1C(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H](C(C)C)NC(CN(C[C@@H]2CCCN3CCCC[C@@]32[H])CCNC(=O)[C@@H]1[C@@H](C)O)=O
|
|
| MCULE-8638565874 |
0.80 |
CN1C(C(NC2C(C3=CC(F)=CC=C3)C2)=O)(C)CC(O)C1
|
|
| MCULE-7050603482 |
0.80 |
N12CCC[C@@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@H](CN(C(=O)CCOC)CC(=O)N[C@@H](C)C2=O)CC1=CC=CC=C1
|
|
| MCULE-1609997437 |
0.80 |
C(=O)(N[C@@H](C)CO)[C@H](CC1C=CC=CC=1)NC(=O)C1CCC(CC1)C(C)C
|
|
| MCULE-5087805104 |
0.80 |
C(=O)(NC(C)CO)C(CC1C=CC=CC=1)NC(=O)C1CCC(CC1)C(C)C
|
|
| MolPort-035-786-613 |
0.80 |
CC(O)C(NC(=O)C1CC1)C(=O)N1CC(C2=CC=CC=C2)C(C)(C)C1
|
|
| MolPort-023-276-302 |
0.80 |
CC[C@H](C)[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(O)=O
|
|
| MolPort-002-316-978 |
0.80 |
CC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC1=CC=CC=C1)C(O)=O
|
|
| MolPort-023-276-260 |
0.80 |
CC[C@H](C)[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(O)=O
|
|
| MolPort-046-569-609 |
0.80 |
COCC(=O)N1C[C@H](CC2=CC=CC=C2)NC(=O)[C@@H](NC(=O)[C@H]2CCCN2C(=O)[C@H](C)NC(=O)C1)C(C)C
|
|
| MolPort-039-055-596 |
0.80 |
CC(C)CC(NC(=O)C(NC(=O)C(CCC(O)=O)NC(=O)C(NC(=O)C(CCC(O)=O)NC(=O)C(C)NC(C)=O)C(C)C)C(C)C)C(=O)NC(C(C)O)C(=O)NC(C)(C)C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NC(CC(C)C)C(=O)NC(CCC(N)=O)C(=O)NC(C)(C)C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)N1CCCC1C(=O)NC(CO)CC1=CC=CC=C1
|
|
| MolPort-019-939-090 |
0.80 |
CC[C@@H](C)[C@H](NC(=O)[C@@H](CC1=CC=C(O)C=C1)NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@H](C)CC)C(=O)N[C@@H](CC(C)C)C(O)=O
|
|
| MolPort-044-649-462 |
0.80 |
CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(O)=O
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| MolPort-045-916-257 |
0.80 |
CC(C)[C@H]1NC(=O)CN(CCNC(=O)[C@@H](NC(=O)[C@H](CC2=CC=CC=C2)NC1=O)[C@@H](C)O)C(=O)CC12CC3CC(CC(O)(C3)C1)C2
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|
| MolPort-046-697-025 |
0.80 |
CC(C)C[C@@H]1NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@H](CCN)NC(=O)[C@H](CCNC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@@H](N)[C@@H](C)O
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| MolPort-044-639-121 |
0.80 |
CCNC(=O)N1C[C@@H]2C[C@@H](CN2C(=O)[C@@H]1CC1=CC=CC=C1)OC
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|
| MolPort-045-932-324 |
0.80 |
CC(C)C[C@@H]1NC(=O)CN(C)C(=O)[C@H](CO)NC(=O)[C@@H]2C[C@@H](CN2C(=O)[C@H](CC2=CC=CC=C2)NC1=O)NC(=O)C1CCCC1
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|
| MolPort-044-639-149 |
0.80 |
CO[C@H]1C[C@H]2CN([C@@H](CC3=CC=CC=C3)C(=O)N2C1)C(=O)NCCC1=CC=CC=C1
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|
| MolPort-046-569-708 |
0.80 |
CC[C@@H]1NC(=O)[C@H](CCCCNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](NC1=O)[C@@H](C)O)NC(=O)CCN1CCCCCC1=O
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| MolPort-045-918-959 |
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CC(C)[C@H]1NC(=O)CN(C)C(=O)[C@H](CO)NC(=O)[C@@H]2C[C@@H](CN2C(=O)[C@H](CC2=CC=CC=C2)NC1=O)NC(=O)C1CCOCC1
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| MolPort-045-934-311 |
0.80 |
CC(C)C[C@@H]1NC(=O)CN(C)C(=O)[C@H](CO)NC(=O)[C@@H]2C[C@@H](CN2C(=O)[C@H](CC2=CC=CC=C2)NC1=O)NC(=O)C1CCOCC1
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| MolPort-044-639-131 |
0.80 |
CO[C@H]1C[C@H]2CN([C@@H](CC3=CC=CC=C3)C(=O)N2C1)C(=O)NC(C)C
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|
| MolPort-045-931-770 |
0.80 |
CC(C)[C@H]1NC(=O)CN(C[C@@H]2CCCN3CCCC[C@H]23)CCNC(=O)[C@@H](NC(=O)[C@H](CC2=CC=CC=C2)NC1=O)[C@@H](C)O
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| MolPort-045-918-642 |
0.80 |
CC(C)[C@H]1NC(=O)CN(CCNC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC1=O)C(=O)[C@H](C)C1=CC=CC=C1
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| MolPort-045-937-579 |
0.80 |
COCCC(=O)N1CCNC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](NC(=O)C1)C(C)C
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| MolPort-014-475-557 |
0.80 |
CC(CC1=C(C)C=CC=C1)NC(=O)C1CC(O)CN1
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| MolPort-039-347-795 |
0.80 |
CC(C)C1CCC(CC1)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](C)CO
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| MolPort-039-060-009 |
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CC(C)[C@H]1CC[C@@H](CC1)C(=O)N[C@H](CC1=CC=CC=C1)C(=O)N[C@@H](C)CO
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| MolPort-046-570-356 |
0.80 |
COCCC(=O)N1C[C@H](CC2=CC=CC=C2)NC(=O)[C@@H](NC(=O)[C@H]2CCCN2C(=O)[C@H](C)NC(=O)C1)C(C)C
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|
| MolPort-045-983-469 |
0.79 |
CC(CC1=CC=CC=C1C(F)(F)F)NC(=O)[C@H]1C[C@H](O)CN1C(C)=O
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|
| MolPort-046-162-719 |
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CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCCN)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCCN)C(O)=O
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|
| MolPort-044-458-278 |
0.79 |
CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)NCC1(CC1)C1=CC=C(F)C=C1F
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|
| MolPort-045-946-665 |
0.79 |
NC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O
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| MolPort-046-568-168 |
0.79 |
COCC(=O)N[C@H]1CCCNC(=O)CN(C)C(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H](C)NC(=O)[C@H](NC1=O)C(C)C
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|
| MolPort-002-200-179 |
0.79 |
CC(C)CC(NC(=O)C(CC1=CC=C(F)C=C1)NC(C)=O)C(O)=O
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|
| MolPort-046-738-967 |
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O[C@H](C1CCCCC1)C(=O)N1C[C@H](CC2=CC=CC=C2)NC(=O)C1
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|
| MolPort-006-120-076 |
0.79 |
NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O
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|
| MolPort-012-238-439 |
0.79 |
N[C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(O)=O
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|
| MolPort-046-682-692 |
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O=C1NCCNC1=O.CC(C)C[C@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(O)=O
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|
| MolPort-023-276-628 |
0.79 |
N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O
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|
| MolPort-023-276-710 |
0.79 |
CNCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC1=CC=CC=C1)C(O)=O
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|
| MolPort-046-683-493 |
0.79 |
CC(O)=O.N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O
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|
| MolPort-044-463-200 |
0.79 |
COC1(CN(C1)C(=O)[C@H]1C[C@H](O)CN1C(C)=O)C1=CC=CC=C1
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|
| MolPort-046-567-310 |
0.79 |
CC[C@H]1CN(CC(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N1)C(=O)COC
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|
| MolPort-046-570-230 |
0.79 |
COCCC(=O)N[C@H]1CCCNC(=O)CN(C)C(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H](C)NC(=O)[C@H](NC1=O)C(C)C
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|
| MolPort-039-235-308 |
0.79 |
OC1CNC(C1)C(=O)NCC1(CC1)C1=CC=C(F)C=C1
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|
| MolPort-046-426-262 |
0.79 |
CC(C)C[C@H](NC(=O)CNC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)C(C)(C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)C(C)(C)NC(=O)[C@H](C)NC(=O)C(C)(C)NC(=O)[C@@H]1CCCN1C(=O)C(C)(C)NC(C)=O)C(C)C)C(=O)NC(C)(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CO)CC1=CC=CC=C1
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|
| MCULE-1694960988 |
0.79 |
CC(N1[C@@H](C(NCC2(C3=C(F)C=C(F)C=C3)CC2)=O)C[C@H](O)C1)=O
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|
| MCULE-1364937763 |
0.79 |
N1(CCC[C@H]1C(=O)N[C@@H](CC1C=CC=CC=1)C(O)=O)C(N)=O
|
|
| MCULE-6254438242 |
0.79 |
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(COC)=O)C
|
|
| MCULE-8241012890 |
0.79 |
OC1CN(C(CC2=C(F)C=CC=C2)=O)C(C(NCC2CC3=C(C=CC=C3)C2)=O)C1
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|
| MCULE-3300542029 |
0.79 |
N1(C[C@H](CC2C=CC=CC=2)NC(=O)C1)C(=O)[C@H](O)C1CCCCC1
|
|
| MCULE-5577872095 |
0.79 |
C(=O)(C(CC1C=CC(=CC=1)F)NC(C)=O)NC(CC(C)C)C(O)=O
|
|
| MCULE-6036534836 |
0.79 |
CN1C(C(NC2CC(C3=CC=CC=C3)C2)=O)(C)CC(O)C1
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|
| MCULE-6392222135 |
0.79 |
C(N1CCCC1C(O)=O)(=O)C(N)CC1C=CC=CC=1
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|
| MCULE-1097713848 |
0.79 |
N1(CCC[C@H]1C(=O)O)C(=O)[C@@H](N)CC1C=CC=CC=1
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|
| MCULE-5094374641 |
0.79 |
OC1CC(C(N2CC(CC3C=CC=CC=3)CC2)=O)NC1
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|
| MCULE-9914176578 |
0.79 |
C(N1CCC[C@H]1C(N1CCC[C@H]1C(NCC(N[C@@H](CC1=CC=CC=C1)C(N[C@@H](CO)C(N1CCC[C@H]1C(N[C@@H](CC1=CC=CC=C1)C(O)=O)=O)=O)=O)=O)=O)=O)([C@H](CCCNC(N)=N)N)=O.OC(C)=O
|
|
| MCULE-2541623493 |
0.79 |
COC1(C2=CC=CC=C2)CN(C([C@@H]2N(C(C)=O)C[C@@H](O)C2)=O)C1
|
|
| MCULE-6106405963 |
0.79 |
OC1CC(C(NCC2(C3=CC=C(F)C=C3)CC2)=O)NC1
|
|
| MCULE-6450897111 |
0.79 |
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)CCOC)C
|
|
| MCULE-6420101409 |
0.79 |
N1(C[C@H](CC)NC(=O)[C@H](CC2=CC=CC=C2)NC([C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C1)=O)C(COC)=O
|
|
| MCULE-8655364834 |
0.79 |
CN1C(C(NCC(C2=CC(C)=CC=C2)(C)C)=O)(C)CC(O)C1
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|
| MCULE-2824449950 |
0.79 |
CN1C(C(NCCC2=CC=C(C(C)(C)C)C=C2)=O)(C)CC(O)C1
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|
| MCULE-3054444069 |
0.79 |
CC([C@H](C(NC(C(N1CCN(C)CC1)=O)CC1=CC=CC=C1)=O)O)C
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|
| MCULE-2755720834 |
0.79 |
CNC(C(N[C@@H](C(O)=O)CC1=CC=CC=C1)=O)CC(C)(C)C
|
|
| MCULE-2150729135 |
0.79 |
Cl.CN(C(C1NCC(O)C1)=O)CCC1C=CC=C2C=1C=CC=C2
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|
| MCULE-3532570069 |
0.79 |
CC(CCC(NCC(NC(C(=O)O)CC1C=CC=CC=1)=O)=O)C
|
|
| MCULE-6259239858 |
0.79 |
CC(CCC(NCC(N(C(C(=O)O)CC1C=CC=CC=1)C)=O)=O)C
|
|
| MCULE-4527204164 |
0.79 |
CC(C1=CC=C(CCNC(C2(N(C)CC(O)C2)C)=O)C=C1)C
|
|
| MCULE-8007512999 |
0.79 |
CC(CCC(NCC(N[C@@H](C(=O)O)CC1C=CC=CC=1)=O)=O)C
|
|
| MCULE-2471544211 |
0.79 |
CCC1=CC=C(C(CNC(C2(N(C)CC(O)C2)C)=O)(C)C)C=C1
|
|
| MCULE-3749159355 |
0.79 |
NC(C1N(CC(NCCC2=CC=CC=C2)=O)CC(O)C1)=O
|
|
| MCULE-2199770977 |
0.79 |
N12C[C@H](C[C@H]1C(=O)N[C@@H](CO)C(=O)N(C)CC(=O)N[C@H](C(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C2=O)NC(CCC1CCC1)=O
|
|
| MCULE-6065628824 |
0.79 |
N12C[C@H](C[C@H]1C(=O)N[C@@H](CO)C(=O)N(C)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C2=O)NC(C1CCCCCC1)=O
|
|
| MCULE-4261221387 |
0.79 |
N12CCC[C@H]1C(=O)NCCCC[C@H](NC(=O)C1CCN(CC1)C(COC)=O)C(N[C@@H](CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](CC1C=CC=CC=1)C2=O)=O
|
|
| MCULE-1683452578 |
0.79 |
N12C[C@H](C[C@H]1C(=O)N[C@@H](CO)C(=O)N(C)CC(=O)N[C@H](C(C)C)C(=O)N[C@@H](CC1C=CC=CC=1)C2=O)NC(=O)CCN1CCCCC1=O
|
|
| MCULE-3560412105 |
0.79 |
N12C[C@H](C[C@H]1C(=O)N[C@@H](CO)C(=O)N(C)CC(=O)N[C@H](C(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C2=O)NC(CCC(F)(F)F)=O
|
|
| MCULE-2842007929 |
0.79 |
CN(C(C(NC(C12CC3CC(CC(C3)C1)C2)=O)CC1=CC=CC=C1)=O)CC(O)=O
|
|
| MCULE-8438289475 |
0.79 |
OC(CNC(C(NC(C12CC3CC(C1)CC(C3)C2)=O)CC1C=CC=CC=1)=O)=O
|
|
| MCULE-4500633617 |
0.79 |
CCCC(N1C(C(NC(C(=O)O)CC2C=CC=CC=2)=O)CCCC1)=O
|
|
| MCULE-6320356430 |
0.79 |
N1(CC(=O)NC2(CCCC2)CO)CC(CC1=O)C1C=CC=CC=1
|
|
| MCULE-8672257085 |
0.79 |
[C@@H](NC(=O)[C@@H](N)CC(=O)O)(C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)O)CCCCN)CC1C=CC(O)=CC=1
|
|
| MCULE-2725185489 |
0.79 |
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](CC(C)C)C1=O
|
|
| MCULE-5927002851 |
0.79 |
C(=O)(N[C@@H](CO)CC1C=CC=CC=1)[C@@H]1CCCN1C
|
|
| MCULE-1716013601 |
0.79 |
CCC(C1NC(=O)C2N(CCC2)C(=O)C2N(CCC2)C(=O)C2N(CCC2)C(=O)C(CC(C)C)NC(=O)CNC(=O)CNC(=O)C(CC2C=CC=CC=2)NC1=O)C
|
|
| MCULE-3500387807 |
0.79 |
O=C1N2[C@@](C(=O)N3[C@@](C(=O)N[C@]([C@H](CC)C)([H])C(=O)N[C@@H](CC4C=CC=CC=4)C(=O)NCC(=O)NCC(=O)N[C@](CC(C)C)([H])C(=O)N4CCC[C@@]14[H])([H])CCC3)([H])CCC2
|
|
| MCULE-9689951490 |
0.79 |
CO[C@@H]1CN(C(CCC2=CC3=C(C=CC=C3)C=C2)=O)[C@H](C(N)=O)C1
|
|
| MCULE-5610279953 |
0.79 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1C=CC=CC=1)C(=O)NCCN(C(=O)CN1CCOC1=O)CC(=O)N[C@@H]([C@@H](C)CC)C2=O)O
|
|
| MCULE-9219663457 |
0.79 |
N1(C[C@H](CC)NC(=O)[C@H](CC2C=CC=CC=2)NC([C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C1)=O)C(=O)CCOC
|
|
| MCULE-9529491654 |
0.79 |
CC1C=CC(C(CNC(C2NCC(O)C2)=O)O)=CC=1
|
|
| MCULE-7131255188 |
0.79 |
CN1C(C(NC[C@H](C2=CC=C(C)C=C2)O)=O)(C)CC(O)C1
|
|
| MCULE-7727575212 |
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C(C1C=CC(O)=CC=1)[C@H](N)C(N1[C@@H](CCC1)C(N[C@H](CCC(N)=O)C(N1[C@@H](CCC1)C(N[C@@H](CCC(N)=O)C(N1[C@H](CCC1)C(N[C@@H](C(O)=O)CC1C=CC=CC=1)=O)=O)=O)=O)=O)=O
|
|
| MCULE-7143383595 |
0.79 |
N1C(=O)[C@H](CC2C=CC=CC=2)NC(=O)[C@@H](C(C)C)NC(CN(CCNC(=O)[C@@H]1[C@@H](C)O)C(=O)[C@@H]1CCCN2CCCC[C@]12[H])=O
|
|
| MolPort-038-998-054 |
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Cl.CN(CCC1=CC=CC2=CC=CC=C12)C(=O)C1CC(O)CN1
|
|
| MolPort-019-643-157 |
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NC(=O)C1CC(O)CN1CC(=O)NCCC1=CC=CC=C1
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|
| MolPort-046-122-076 |
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CC(C)[C@@H](O)C(=O)NC(CC1=CC=CC=C1)C(=O)N1CCN(C)CC1
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|
| MolPort-044-537-872 |
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CNC(CC(C)(C)C)C(=O)N[C@H](CC1=CC=CC=C1)C(O)=O
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|
| MolPort-045-934-747 |
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CC(C)[C@H]1NC(=O)CN(C)C(=O)[C@H](CO)NC(=O)[C@@H]2C[C@@H](CN2C(=O)[C@H](CC2=CC=CC=C2)NC1=O)NC(=O)CCC(F)(F)F
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|
| MolPort-045-939-024 |
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CC(C)[C@H]1NC(=O)CN(C)C(=O)[C@H](CO)NC(=O)[C@@H]2C[C@@H](CN2C(=O)[C@H](CC2=CC=CC=C2)NC1=O)NC(=O)CCN1CCCCC1=O
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|
| MolPort-045-934-691 |
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CC(C)[C@H]1NC(=O)CN(C)C(=O)[C@H](CO)NC(=O)[C@@H]2C[C@@H](CN2C(=O)[C@H](CC2=CC=CC=C2)NC1=O)NC(=O)CCC1CCC1
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|
| MolPort-045-916-187 |
0.79 |
CC(C)C[C@@H]1NC(=O)CN(C)C(=O)[C@H](CO)NC(=O)[C@@H]2C[C@@H](CN2C(=O)[C@H](CC2=CC=CC=C2)NC1=O)NC(=O)C1CCCCCC1
|
|
| MolPort-046-568-070 |
0.79 |
CC[C@@H]1NC(=O)[C@H](CCCCNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](NC1=O)[C@@H](C)O)NC(=O)C1CCN(CC1)C(=O)COC
|
|
| MolPort-029-888-657 |
0.79 |
OCC1(CCCC1)NC(=O)CN1CC(CC1=O)C1=CC=CC=C1
|
|
| MolPort-046-702-227 |
0.79 |
NCCCCC(NC(=O)C(CC(O)=O)NC(=O)C(CC(O)=O)NC(=O)C(CC(O)=O)NC(=O)C(CC(O)=O)NC(=O)C(CCCCN)NC(=O)C(CC1=CC=C(O)C=C1)NC(=O)C(N)CC(O)=O)C(O)=O
|
|
| MolPort-046-418-699 |
0.79 |
NCCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](N)CC(O)=O)C(O)=O
|
|
| MolPort-039-339-150 |
0.79 |
CCC(C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)CNC(=O)CNC(=O)[C@@H](CC2=CC=CC=C2)NC1=O
|
|
| MolPort-045-958-109 |
0.79 |
CN1CCC[C@H]1C(=O)N[C@@H](CO)CC1=CC=CC=C1
|
|
| MolPort-046-594-331 |
0.79 |
CCC(C)C1NC(=O)C2CCCN2C(=O)C2CCCN2C(=O)C2CCCN2C(=O)C(CC(C)C)NC(=O)CNC(=O)CNC(=O)C(CC2=CC=CC=C2)NC1=O
|
|
| MolPort-044-439-604 |
0.79 |
CO[C@H]1C[C@H](N(C1)C(=O)CCC1=CC2=CC=CC=C2C=C1)C(N)=O
|
|
| MolPort-045-917-847 |
0.79 |
CC[C@H](C)[C@@H]1NC(=O)CN(CCNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(=O)CN1CCOC1=O
|
|
| MolPort-039-293-764 |
0.79 |
CC1=CC=C(C=C1)C(O)CNC(=O)C1CC(O)CN1
|
|
| MolPort-046-568-297 |
0.79 |
CC[C@H]1CN(CC(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N1)C(=O)CCOC
|
|
| MolPort-023-277-062 |
0.79 |
CC(C)C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(O)=O)C(N)=O
|
|
| MolPort-019-939-250 |
0.79 |
N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC1=CC=CC=C1)C(O)=O
|
|
| MolPort-023-276-708 |
0.78 |
CCCC[C@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(N)=O
|
|
| MolPort-039-063-119 |
0.78 |
CC(O)=O.N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
|
|
| MolPort-003-926-907 |
0.78 |
N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
|
|
| MolPort-046-418-743 |
0.78 |
NC(=N)NCCC[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(O)=O
|
|
| MolPort-046-144-901 |
0.78 |
OC1CCCN(C1)C(=O)C1CCCN1C(=O)CC1=CC=CC=C1
|
|
| MolPort-035-766-352 |
0.78 |
N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(O)=O
|
|
| MolPort-039-293-650 |
0.78 |
Cl.OC1CNC(C1)C(=O)N1CCC(CC2=CC=CC=C2)C1
|
|
| MolPort-027-853-491 |
0.78 |
CNC(=O)[C@@H](CC1=CC=CC=C1)N1CCC[C@H]1C(O)=O
|
|
| MolPort-023-276-709 |
0.78 |
N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@H](CN[C@@H](CCCNC(N)=N)C(O)=O)CC1=CC=CC=C1
|
|
| MolPort-046-162-756 |
0.78 |
N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
|
|
| MolPort-046-451-551 |
0.78 |
CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCC(CCC2=CC=C(C)C=C2)CC1
|
|
| MolPort-045-931-860 |
0.78 |
COCC(=O)N1CCNC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](NC(=O)C1)C(C)C
|
|
| MolPort-027-883-154 |
0.78 |
O[C@@H]1CN[C@H](C1)C(=O)N1CCCC(C1)(C1=CC=CC=C1)C1=CC=CC=C1
|
|
| MolPort-045-915-603 |
0.78 |
COCC(=O)N1CCNC(=O)[C@@H](NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](NC(=O)C1)C(C)C)[C@@H](C)O
|
|
| MolPort-046-568-799 |
0.78 |
CC[C@@H]1NC(=O)[C@H](CCCCNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](NC1=O)[C@@H](C)O)NC(=O)CC1=CC=C(C=C1)C1=CC=CC=C1
|
|
| MolPort-045-932-190 |
0.78 |
COCC(=O)N[C@H]1C[C@@H]2N(C1)C(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](NC(=O)CN(C)C(=O)[C@H](CO)NC2=O)C(C)C
|
|
| MolPort-045-917-241 |
0.78 |
COC(C)(C)C(=O)N[C@H]1C[C@@H]2N(C1)C(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](NC(=O)CN(C)C(=O)[C@H](CO)NC2=O)C(C)C
|
|
| MolPort-042-643-041 |
0.78 |
CC(C)(N1CCCC1)C(=O)N1CCC(O)(C1)C1=CC=CC=C1
|
|
| MolPort-001-828-127 |
0.78 |
CC(C)CC(N)C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(O)=O
|
|
| MolPort-045-993-377 |
0.78 |
CC1CCN(C1C)C(=O)C1CC(O)CN1C(=O)CC1=CC=CC=C1F
|
|
| MolPort-045-993-378 |
0.78 |
CCN(CC)C(=O)C1CC(O)CN1C(=O)CC1=CC=CC=C1F
|
|
| MCULE-5644057262 |
0.78 |
OC[C@@H]1N(C(CCC2=CC=CC=C2)=O)C[C@H]2N(CCC2)C1
|
|
| MCULE-5195824681 |
0.78 |
CC(C1=CC=CC=C1)CC(N1[C@@H](CO)CN2[C@@H](CCC2)C1)=O
|
|
| MCULE-7396549364 |
0.78 |
C(CCNC(N)=N)[C@H](C(N1[C@H](CCC1)C(N1[C@H](CCC1)C(NCC(N[C@@H](C(N[C@@H](CO)C(N1[C@H](CCC1)C(N[C@H](C(N[C@@H](CCCNC(N)=N)C(O)=O)=O)CC1C=CC=CC=1)=O)=O)=O)CC1C=CC=CC=1)=O)=O)=O)=O)N
|
|
| MCULE-1634176224 |
0.78 |
C([C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)(N1CCC[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCNC(N)=N)CC1C=CC=CC=1)=O)CC1C=CC=CC=1)=O
|
|
| MCULE-3162298750 |
0.78 |
C(N1CCC[C@H]1C(NCC(N[C@@H](CC1=CC=CC=C1)C(N[C@@H](CO)C(N1CCC[C@H]1C(N[C@@H](CC1=CC=CC=C1)C(N[C@@H](CCCNC(N)=N)C(O)=O)=O)=O)=O)=O)=O)=O)([C@@H]1CCCN1)=O
|
|
| MCULE-8156212650 |
0.78 |
O=C(O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CC1C=CC=CC=1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)N
|
|
| MCULE-1683739846 |
0.78 |
C(N1CCC[C@H]1C(N1CCC[C@H]1C(NCC(N[C@@H](CC1=CC=CC=C1)C(N[C@@H](CO)C(N1CCC[C@H]1C(O)=O)=O)=O)=O)=O)=O)([C@H](CCCNC(N)=N)N)=O
|
|
| MCULE-8796027498 |
0.78 |
N12C[C@H](C[C@H]1C(=O)N[C@@H](CO)C(=O)N(C)CC(=O)N[C@H](C(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C2=O)NC(=O)C1(CCC1)COC
|
|
| MCULE-2806770831 |
0.78 |
C(N1CCC[C@H]1C(NCC(N[C@@H](CC1=CC=CC=C1)C(N[C@@H](CO)C(N1CCC[C@H]1C(N[C@@H](CC1=CC=CC=C1)C(N[C@@H](CCCNC(N)=N)C(O)=O)=O)=O)=O)=O)=O)=O)([C@H]1NCCC1)=O
|
|
| MCULE-1375740755 |
0.78 |
Cl.OC1CC(C(N2CC(CC3C=CC=CC=3)CC2)=O)NC1
|
|
| MCULE-8438265775 |
0.78 |
OC1CN(C(C2N(C(CC3=CC=CC=C3)=O)CCC2)=O)CCC1
|
|
| MCULE-2290595555 |
0.78 |
CCN1CCN(C(C2N(C(CC3=C(F)C=CC=C3)=O)CC(O)C2)=O)CC1
|
|
| MCULE-6114626059 |
0.78 |
CC(CN1CCN(C(C2N(C(CC3=C(F)C=CC=C3)=O)CC(O)C2)=O)CC1)C
|
|
| MCULE-8685198387 |
0.78 |
CN1CCN(C(C2N(C(CC3=C(F)C=CC=C3)=O)CC(O)C2)=O)CC1
|
|
| MCULE-4444624653 |
0.78 |
OC(C1C(C(NC(C(N2CCCC2)=O)CC2C=CC=CC=2)=O)C1)=O
|
|
| MCULE-3160964482 |
0.78 |
C1(=O)[C@@H](C(C)C)NC(=O)CN(CCNC([C@@H](CC2=CC=CC=C2)NC(=O)[C@H](CO)NC(=O)[C@H](C)N1)=O)C(COC)=O
|
|
| MCULE-3626610940 |
0.78 |
N1C(=O)[C@H](CC2C=CC=CC=2)NC(=O)[C@@H](C(C)C)NC(CN(C(COC)=O)CCNC(=O)[C@@H]1[C@@H](C)O)=O
|
|
| MCULE-1303961251 |
0.78 |
N1C(=O)[C@H](CC2C=CC=CC=2)NC(=O)[C@@H](C(C)C)NC(CN(C(=O)C(C)(C)OC)CCNC(=O)[C@@H]1[C@@H](C)O)=O
|
|
| MCULE-6692299946 |
0.78 |
N1(CCCC(C2C=CC=CC=2)(C2C=CC=CC=2)C1)C(=O)[C@H]1C[C@@H](CN1)O
|
|
| MCULE-3293603480 |
0.78 |
CC(N1[C@@H](C(N2CCC(CCC3=CC=C(C)C=C3)CC2)=O)C[C@H](O)C1)=O
|
|
| MCULE-5277558634 |
0.78 |
C1(=O)[C@@H](C(C)C)NC(=O)CN(CCNC([C@@H](CC2C=CC=CC=2)NC(=O)[C@H](CO)NC(=O)[C@H](C)N1)=O)C(CCC1=CC=C(C=C1)F)=O
|
|
| MCULE-7095137623 |
0.78 |
N12C[C@H](C[C@H]1C(=O)N[C@@H](CO)C(=O)N(C)CC(=O)N[C@H](C(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C2=O)NC(=O)C(C)(C)OC
|
|
| MCULE-5325539589 |
0.78 |
N12CCC[C@H]1C(=O)NCCCC[C@H](NC(CC1C=CC(=CC=1)C1C=CC=CC=1)=O)C(N[C@@H](CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](CC1C=CC=CC=1)C2=O)=O
|
|
| MCULE-3196754485 |
0.78 |
N12C[C@H](C[C@H]1C(=O)N[C@@H](CO)C(=O)N(C)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1C=CC=CC=1)C2=O)NC(COC)=O
|
|
| MCULE-2979640385 |
0.78 |
N12C[C@H](C[C@H]1C(=O)N[C@@H](CO)C(=O)N(C)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1C=CC=CC=1)C2=O)NC(=O)C(C)(C)OC
|
|
| MCULE-9906168190 |
0.78 |
N12C[C@H](C[C@H]1C(=O)N[C@@H](CO)C(=O)N(C)CC(=O)N[C@H](C(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C2=O)NC(COC)=O
|
|
| MCULE-9069718059 |
0.78 |
O=C(NCC(NC(CC1C=CC=CC=1)C(O)=O)=O)C(N)CC(C)C
|
|
| MCULE-1918011369 |
0.78 |
N1(CCC(O)(C2C=CC=CC=2)C1)C(=O)C(C)(C)N1CCCC1
|
|
| MCULE-9693152448 |
0.78 |
CCN(C(C1N(C(CC2=C(F)C=CC=C2)=O)CC(O)C1)=O)CCO
|
|
| MCULE-5794030705 |
0.78 |
CCC(CN(C(C1N(C(CC2=C(F)C=CC=C2)=O)CC(O)C1)=O)C)C
|
|
| MCULE-9739430579 |
0.78 |
CC1C(C)C(C)N(C(C2N(C(CC3=C(F)C=CC=C3)=O)CC(O)C2)=O)C1
|
|
| MCULE-5526189740 |
0.78 |
CC1C(C)N(C(C2N(C(CC3=C(F)C=CC=C3)=O)CC(O)C2)=O)CC1
|
|
| MCULE-8590982688 |
0.78 |
CCC(CNC(C1N(C(CC2=C(F)C=CC=C2)=O)CC(O)C1)=O)(CC)O
|
|
| MCULE-5203956589 |
0.78 |
CC(CC(NC(C1N(C(CC2=C(F)C=CC=C2)=O)CC(O)C1)=O)C)C
|
|
| MCULE-7036666132 |
0.78 |
CC1(C(O)CN(C(C2N(C(CC3=C(F)C=CC=C3)=O)CC(O)C2)=O)C1)C
|
|
| MCULE-6893326009 |
0.78 |
CCC(NC(C1N(C(CC2=C(F)C=CC=C2)=O)CC(O)C1)=O)CC
|
|
| MCULE-9212061064 |
0.78 |
CC(N(C(C1N(C(CC2=C(F)C=CC=C2)=O)CC(O)C1)=O)C)C
|
|
| MCULE-6937755337 |
0.78 |
COC1=CC=C(C2CN(C(C3(N(C)CC(O)C3)C)=O)CC2)C=C1
|
|
| MCULE-4823093699 |
0.78 |
CC(C(CNC(C1N(C(CC2=C(F)C=CC=C2)=O)CC(O)C1)=O)(C)C)C
|
|
| MCULE-3421253884 |
0.78 |
CCN(C(C1N(C(CC2=C(F)C=CC=C2)=O)CC(O)C1)=O)CC
|
|
| MCULE-2445419349 |
0.78 |
C[C@H](CNC(C1N(C(CC2=C(F)C=CC=C2)=O)CC(O)C1)=O)O
|
|
| MCULE-4678340072 |
0.78 |
CC(NC(C1NCC(O)C1)=O)CC1=CC=C(Br)C=C1
|
|
| MCULE-2096728858 |
0.78 |
N1(C)[C@@H](C)C(=O)N[C@@H](CC2C=CC=CC=2)C(=O)NCCN(C(COC)=O)CC(=O)N[C@@H](CC(C)C)C1=O
|
|
| MCULE-2731862731 |
0.78 |
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](CC(C)C)C1=O
|
|
| MCULE-7613726749 |
0.78 |
C1(=O)[C@@H](C(C)C)NC(=O)CN(CCNC([C@@H](CC2C=CC=CC=2)NC(=O)[C@H](CO)NC(=O)[C@H](C)N1)=O)C(=O)CN1CCCN(C)CC1
|
|
| MCULE-2560981068 |
0.78 |
C1C=C(C=CC=1)CC(O)C(=O)N(C)C(C(C)C)C(N1CCCC1C(=O)O)=O
|
|
| MCULE-8268498352 |
0.78 |
CC(NC(C(NC(C(=O)O)CC1C=CC=CC=1)=O)C1CCCC1)=O
|
|
| MCULE-9467708311 |
0.78 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1C=CC=CC=1)C(=O)NCCN(CC1=CC=NC=C1)CC(=O)N[C@@H]([C@@H](C)CC)C2=O)O
|
|
| MCULE-3782766240 |
0.78 |
OCC(NC(C1N(C2CC2)CCC1)=O)CC1=CC=CC=C1
|
|
| MCULE-8352995249 |
0.78 |
CO[C@@H]1CN(C(CCC2=CC=C(C(C)(C)C)C=C2)=O)[C@H](C(N)=O)C1
|
|
| MCULE-8748376517 |
0.78 |
N1(C[C@@H](C[C@H]1C(NCCOC)=O)O)C1CCN(CC1)C(CCC1=CC=CC=C1)=O
|
|
| MCULE-8093868778 |
0.78 |
CCC1=CC=C(CCC(N2[C@H](C(N)=O)C[C@H](OC)C2)=O)C=C1
|
|
| MCULE-5443184017 |
0.78 |
N1(C(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)C(C)(C)NC(=O)[C@H](C(C)C)NC(=O)C(C)(C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)C(C)(C)NC([C@@H](NC(=O)C(C)(C)NC(=O)[C@@H]2CCCN2C(=O)C(C)(C)NC(=O)C)C)=O)CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(N[C@@H](CC1C=CC=CC=1)CO)=O)=O
|
|
| MCULE-7360953028 |
0.78 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](C1=CC=CC=C1)C2=O)O
|
|
| MCULE-2030548641 |
0.78 |
OC(C(NC(CN1C(=O)CCCCCC1)=O)CC1C=CC=CC=1)=O
|
|
| MCULE-4481390778 |
0.78 |
N1(C[C@@H](C[C@H]1C(N)=O)O)C1CCN(CC1)C(CCC1=CC=CC=C1)=O
|
|
| MCULE-2217106727 |
0.78 |
CN1C(C(NCC(C2=CC(C)=CC(C)=C2)O)=O)(C)CC(O)C1
|
|
| MCULE-2549975331 |
0.78 |
CN1C(C(NCC(C2=CC(C)=CC=C2)O)=O)(C)CC(O)C1
|
|
| MCULE-8019280157 |
0.78 |
N12C[C@@H](C[C@H]1C(=O)N[C@H](C1C=CC=CC=1)C2=O)O
|
|
| MCULE-6246582155 |
0.78 |
CN(C(CN1C(=O)CCCCC1)=O)C(C(=O)O)CC1C=CC=CC=1
|
|
| MCULE-1519883840 |
0.78 |
CC(C(NC(C(=O)O)CC1C=CC=CC=1)=O)NC(C1CCCC1)=O
|
|
| MCULE-7701232240 |
0.78 |
CN(C(CN1C(=O)CCCCCC1)=O)C(C(=O)O)CC1C=CC=CC=1
|
|
| MCULE-2423481943 |
0.78 |
C(=O)([C@H](CC1=CC=CC=C1)N(C)C)NC1(CCCC1)C(O)=O
|
|
| MCULE-4084723884 |
0.78 |
OC(C(NC(CN1C(=O)CCCCC1)=O)CC1C=CC=CC=1)=O
|
|
| MCULE-9554597498 |
0.78 |
N12C[C@@H](C[C@@H]1C(=O)N[C@@H](C1=CC=CC=C1)C2=O)O
|
|
| MCULE-9093497651 |
0.78 |
CC(C(N(C(C(=O)O)CC1C=CC=CC=1)C)=O)NC(C1CCCC1)=O
|
|
| MCULE-2713156155 |
0.78 |
N12C[C@H](C[C@H]1C(=O)N[C@@H](CO)C(=O)N(C)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C2=O)NC(=O)CN1CCOCC1
|
|
| MCULE-8990701794 |
0.78 |
C(=O)(N[C@@H](CC1=CC=CC=C1)C(O)=O)C1(C2=CC=CC=C2)CCN(CC1)C(=O)[C@@H]1CCCN1
|
|
| MCULE-6703190453 |
0.78 |
CC1=CC=C(CCC(NCC(N2C(CC3=CC=CC=C3)(CO)CCC2)=O)=O)C=C1
|
|
| MCULE-2566637922 |
0.78 |
CC(C(C1=CC=C(F)C=C1)O)NC(C1(N(C)CC(O)C1)C)=O
|
|
| MCULE-6569464660 |
0.78 |
N1(CCNC(=O)C1CC1C=CC=CC=1)C(=O)CC1CCN(CC1)C(C)C
|
|
| MCULE-6929356132 |
0.78 |
CC1C=CC(CCC(NCC(N2[C@@H](C(=O)O)CCC2)=O)=O)=CC=1
|
|
| MCULE-2194016595 |
0.78 |
N1(CCCC2C=CC=CC=2)CC2(CC1=O)CCN(CC2)C(=O)[C@@H]1C[C@H](CN1)O
|
|
| MCULE-8710696985 |
0.78 |
CC1C=CC(CCC(NCC(N2C(C(=O)O)CCC2)=O)=O)=CC=1
|
|
| MCULE-2639273198 |
0.78 |
CC1C=CC(CCC(NCC(N2C(C(=O)O)(C)CCC2)=O)=O)=CC=1
|
|
| MCULE-4226420427 |
0.78 |
N1(CCCC2C=CC=CC=2)CC2(CC1=O)CCN(CC2)C(=O)[C@H]1C[C@@H](CN1)O
|
|
| MCULE-2510023080 |
0.78 |
CC1C=CC(CCC(NCC(N2[C@H](C(=O)O)CCC2)=O)=O)=CC=1
|
|
| MolPort-012-040-543 |
0.78 |
CC(CC1=CC=C(Br)C=C1)NC(=O)C1CC(O)CN1
|
|
| MolPort-045-932-254 |
0.78 |
CC[C@H](C)[C@@H]1NC(=O)CN(CC2=CC=NC=C2)CCNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O
|
|
| MolPort-038-386-554 |
0.78 |
CC(C)C(N(C)C(=O)C(O)CC1=CC=CC=C1)C(=O)N1CCCC1C(O)=O
|
|
| MolPort-045-918-637 |
0.78 |
COC(C)(C)C(=O)N1CCNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CC(C)C)NC(=O)C1
|
|
| MolPort-045-915-139 |
0.78 |
COCC(=O)N1CCNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CC(C)C)NC(=O)C1
|
|
| MolPort-044-352-001 |
0.78 |
COCCNC(=O)[C@@H]1C[C@@H](O)CN1C1CCN(CC1)C(=O)CCC1=CC=CC=C1
|
|
| MolPort-003-925-459 |
0.78 |
CC(C)C[C@H](NC(=O)CNC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)C(C)(C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)C(C)(C)NC(=O)[C@H](C)NC(=O)C(C)(C)NC(=O)[C@@H]1CCCN1C(=O)C(C)(C)NC(C)=O)C(C)C)C(=O)NC(C)(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CO)CC1=CC=CC=C1
|
|
| MolPort-039-167-240 |
0.78 |
CO[C@H]1C[C@H](N(C1)C(=O)CCC1=CC=C(C=C1)C(C)(C)C)C(N)=O
|
|
| MolPort-039-166-888 |
0.78 |
CCC1=CC=C(CCC(=O)N2C[C@H](C[C@H]2C(N)=O)OC)C=C1
|
|
| MolPort-044-367-838 |
0.78 |
NC(=O)[C@@H]1C[C@@H](O)CN1C1CCN(CC1)C(=O)CCC1=CC=CC=C1
|
|
| MolPort-045-912-326 |
0.78 |
O[C@@H]1C[C@H]2N(C1)C(=O)[C@@H](NC2=O)C1=CC=CC=C1
|
|
| MolPort-039-110-877 |
0.78 |
CN(C)[C@@H](CC1=CC=CC=C1)C(=O)NC1(CCCC1)C(O)=O
|
|
| MolPort-045-956-403 |
0.78 |
O[C@@H]1C[C@@H]2N(C1)C(=O)[C@H](NC2=O)C1=CC=CC=C1
|
|
| MolPort-045-954-839 |
0.78 |
O[C@@H]1C[C@@H]2N(C1)C(=O)[C@@H](NC2=O)C1=CC=CC=C1
|
|
| MolPort-002-533-097 |
0.78 |
OC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C1(CCN(CC1)C(=O)[C@@H]1CCCN1)C1=CC=CC=C1
|
|
| MolPort-035-753-703 |
0.78 |
CC1=CC=C(CCC(=O)NCC(=O)N2CCCC2(CO)CC2=CC=CC=C2)C=C1
|
|
| MolPort-016-609-888 |
0.78 |
CC(C)N1CCC(CC(=O)N2CCNC(=O)C2CC2=CC=CC=C2)CC1
|
|
| MolPort-046-702-135 |
0.78 |
CCC(C)CC(=O)NC(C(C)CC)C(=O)NC(C)C(=O)NCC(=O)NC(CCCCN)C(=O)NC(CC(N)=O)C(=O)NC(CO)C(=O)NCC(=O)NC(C(C)C)C(=O)NC(CC(O)=O)C(=O)NC(CCC(O)=O)C(=O)NC(C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(CCC(N)=O)C(=O)NC
|
|
| MolPort-028-588-791 |
0.78 |
O[C@H]1CN[C@@H](C1)C(=O)N1CCC2(CN(CCCC3=CC=CC=C3)C(=O)C2)CC1
|
|
| MolPort-027-884-301 |
0.78 |
O[C@@H]1CN[C@H](C1)C(=O)N1CCC2(CN(CCCC3=CC=CC=C3)C(=O)C2)CC1
|
|
| MolPort-045-935-435 |
0.77 |
CC(C)C[C@@H]1NC(=O)CN(C)C(=O)[C@H](CO)NC(=O)[C@@H]2C[C@@H](CN2C(=O)[C@H](CC2=CC=CC=C2)NC1=O)NC(=O)CNC(=O)N(C)C
|
|
| MolPort-001-748-387 |
0.77 |
CN[C@@H](C(C)C)C(=O)N[C@H]1C[C@](O)(C[C@@H](O)[C@@H]1O)C(=O)N[C@H](CC1=CC=CC=C1)C(N)=O
|
|
| MolPort-046-567-883 |
0.77 |
CC[C@@H]1NC(=O)[C@H](CCCCNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](NC1=O)[C@@H](C)O)NC(=O)CCSC
|
|
| MolPort-046-418-700 |
0.77 |
CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O
|
|
| MolPort-006-133-137 |
0.77 |
CC(C)C[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(O)=O
|
|
| MolPort-039-159-771 |
0.77 |
CO[C@H]1C[C@H](N(C)C1)C(=O)NCC1(CC1)C1=CC=CC=C1
|
|
| MolPort-023-276-930 |
0.77 |
CC(C)C[C@@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(O)=O
|
|
| MolPort-021-675-994 |
0.77 |
CC(C)CC1NC(=O)C(CC2=CC=CC=C2)NC1=O
|
|
| MolPort-019-939-055 |
0.77 |
CC(C)C[C@@H](NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)[C@H](N)CC1=CC=C(O)C=C1)C(O)=O
|
|
| MolPort-003-937-802 |
0.77 |
CC(C)C[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(O)=O
|
|
| MolPort-044-596-402 |
0.77 |
OC1CCCCN(CC(=O)N2CC(CC3=CC=CC=C3)(C2)C2=CC=CC=C2)C1=O
|
|
| MolPort-003-981-151 |
0.77 |
CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)C(N)CC1=CC=C(O)C=C1)C(O)=O
|
|
| MolPort-002-510-559 |
0.77 |
CC(C)C[C@@H]1NC(=O)[C@H](CC2=CC=CC=C2)NC1=O
|
|
| MolPort-046-418-722 |
0.77 |
C[C@@H](O)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(O)=O
|
|
| MolPort-039-235-305 |
0.77 |
OC1CNC(C1)C(=O)NCC(C1=CC=CC=C1)C1=CC=CC=C1
|
|
| MolPort-046-683-511 |
0.77 |
CCCC[C@H](NC=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CCCCN)C(O)=O
|
|
| MolPort-045-932-484 |
0.77 |
CC[C@H](C)[C@@H]1NC(=O)CN(CCNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(=O)CCC1=CN(C)N=C1
|
|
| MolPort-035-371-783 |
0.77 |
CC1=C(CC2(CC2)NC(=O)[C@H]2C[C@@H](O)CN2)C=CC=C1
|
|
| MolPort-045-938-597 |
0.77 |
CN1CCC[C@H]1C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O
|
|
| MolPort-012-238-213 |
0.77 |
OC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H]1CCCN1
|
|
| MolPort-002-510-208 |
0.77 |
OC(=O)C[C@@H]1NC(=O)[C@H](CC2=CC=CC=C2)NC1=O
|
|
| MolPort-002-929-930 |
0.77 |
OC(=O)CC1NC(=O)C(CC2=CC=CC=C2)NC1=O
|
|
| MolPort-016-594-373 |
0.77 |
COCC1(CCC1)C(=O)N1CCNC(=O)[C@@H]1CC1=CC=CC=C1
|
|
| MolPort-044-561-875 |
0.77 |
C[C@@H](O)C(=O)CCCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](CC2=CC=CC=C2)NC(=O)C(C)(C)NC1=O
|
|
| MolPort-039-293-805 |
0.77 |
CC(CC1=CC=C(C=C1)C(F)(F)F)NC(=O)C1CC(O)CN1
|
|
| MolPort-044-596-379 |
0.77 |
CN1CCN(CC1CC1=CC=CC=C1)C(=O)CN1CCCCC(O)C1=O
|
|
| MolPort-046-570-076 |
0.77 |
CC[C@@H]1NC(=O)[C@H](CCCCNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](NC1=O)[C@@H](C)O)NC(=O)[C@H]1CCCO1
|
|
| MolPort-046-567-636 |
0.77 |
CC[C@@H]1NC(=O)[C@H](CCCCNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](NC1=O)[C@@H](C)O)NC(=O)[C@@H]1CCCO1
|
|
| MolPort-042-410-716 |
0.77 |
OC(=O)[C@@H]1CN(C[C@@H]1C1=CC=CC=C1)C(=O)CN1CCCCCC1=O
|
|
| MolPort-042-410-342 |
0.77 |
OC(=O)[C@@H]1CN(C[C@@H]1C1=CC=CC=C1)C(=O)CN1CCCCCCC1=O
|
|
| MolPort-000-778-830 |
0.77 |
CC(C)C[C@H]1NC(=O)[C@@H](CCCN)NC(=O)[C@H](NC(=O)[C@H]2CCCN2C(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CCCN)NC(=O)[C@H](NC(=O)[C@H]2CCCN2C(=O)[C@H](CC2=CC=CC=C2)NC1=O)C(C)C)C(C)C
|
|
| MolPort-046-577-416 |
0.77 |
CC[C@H]1CN(CC(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N1)C(=O)[C@@H]1CCC(=O)N1
|
|
| MolPort-046-576-733 |
0.77 |
CC[C@H]1CN(CC(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N1)C(=O)[C@H]1CCC(=O)N1
|
|
| MCULE-2433074064 |
0.77 |
N12CCCC1C(=O)NC(C(C)C)C(=O)NC(CCCN)C(=O)NC(CC(C)C)C(=O)NC(CC1C=CC=CC=1)C(=O)N1C(CCC1)C(=O)NC(C(C)C)C(=O)NC(CCCN)C(=O)NC(CC(C)C)C(=O)NC(CC1C=CC=CC=1)C2=O |
|
| MolPort-046-567-986 |
0.77 |
COCC(=O)N1C[C@H](CC2=CC=CC=C2)NC(=O)[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](C)N(C)C(=O)[C@H](CC(C)C)NC(=O)C1)C(C)C
|
|
| MolPort-023-276-705 |
0.77 |
NCCCC[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O
|
|
| MolPort-002-529-802 |
0.77 |
OC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C1CCN(CC1)C(=O)[C@@H]1CCCN1
|
|
| MolPort-019-939-209 |
0.77 |
NCCCC[C@@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(=O)NCC(=O)N[C@H](CC1=CC=CC=C1)C(=O)N[C@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O
|
|
| MCULE-9561702045 |
0.77 |
N12C[C@H](C[C@H]1C(=O)N[C@@H](CO)C(=O)N(C)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C2=O)NC(CNC(=O)N(C)C)=O
|
|
| MCULE-5680940501 |
0.77 |
O[C@@H]1C[C@](C(=O)N[C@H](CC2C=CC=CC=2)C(N)=O)(C[C@@H]([C@H]1O)NC([C@H](C(C)C)NC)=O)O
|
|
| MCULE-9327446936 |
0.77 |
C([C@@H]1CCCN1C(=O)C)(=O)N[C@H](C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C(=O)N)CCC(=O)N)CC1C=CC=CC=1
|
|
| MCULE-9817856648 |
0.77 |
N12CCC[C@H]1C(=O)NCCCC[C@H](NC(=O)CCSC)C(N[C@@H](CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](CC1C=CC=CC=1)C2=O)=O
|
|
| MCULE-6266593389 |
0.77 |
N12C[C@@H](CC1C(=O)N[C@@H](C)C(=O)N[C@@H]1CCC[C@H]1C(N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC1=CC=CC=C1)C2=O)=O)N
|
|
| MCULE-5805509131 |
0.77 |
[C@@H](NC(=O)CNC(=O)CNC(=O)[C@@H](N)CC1C=CC(O)=CC=1)(C(=O)N[C@H](C(=O)O)CC(C)C)CC1C=CC=CC=1
|
|
| MCULE-6254218030 |
0.77 |
CO[C@@H]1CN(C)[C@H](C(NCC2(C3=CC=CC=C3)CC2)=O)C1
|
|
| MCULE-5427803093 |
0.77 |
[C@@H](NC(=O)CNC(=O)CNC(=O)[C@@H](N)CC1C=CC(O)=CC=1)(C(=O)N[C@H](C(=O)O)CC(C)C)CC1C=CC=CC=1
|
|
| MCULE-8309387994 |
0.77 |
C(O)(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@H](CC1C=CC(O)=CC=1)N
|
|
| MCULE-8979728112 |
0.77 |
O=C([C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](NC(=O)[C@H](CC1C=CC(O)=CC=1)N)C)CC1C=CC=CC=1)CC(C)C)O
|
|
| MCULE-1655109072 |
0.77 |
C(C1C=CC(O)=CC=1)[C@@H](N)C(NCC(NCC(N[C@@H](C(N[C@H](CC(C)C)C(O)=O)=O)CC1C=CC=CC=1)=O)=O)=O
|
|
| MCULE-8145218483 |
0.77 |
OC1C(=O)N(CC(N2CC(C3=CC=CC=C3)(CC3=CC=CC=C3)C2)=O)CCCC1
|
|
| MCULE-7896999191 |
0.77 |
C1(CC2C=CC=CC=2)C(=O)NC(CC(C)C)C(=O)N1
|
|
| MCULE-6970328466 |
0.77 |
CC(C(NC(C1N(C(CC2=C(F)C=CC=C2)=O)CC(O)C1)=O)CCO)C
|
|
| MCULE-5779590560 |
0.77 |
CN(CCN(C(C1N(C(CC2=C(F)C=CC=C2)=O)CC(O)C1)=O)C)C
|
|
| MCULE-6209921848 |
0.77 |
CC(C1CC1)(CNC(C1N(C(CC2=C(F)C=CC=C2)=O)CC(O)C1)=O)O
|
|
| MCULE-4251499204 |
0.77 |
CCC1(CCN(C(C2N(C(CC3=C(F)C=CC=C3)=O)CC(O)C2)=O)CC1)CO
|
|
| MCULE-8132101932 |
0.77 |
C[C@H](NC(C1N(C(CC2=C(F)C=CC=C2)=O)CC(O)C1)=O)CN(C)C
|
|
| MCULE-5717657606 |
0.77 |
C(O)(=O)[C@H](CCCCN)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CCCC)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCC)NC=O
|
|
| MCULE-7010478157 |
0.77 |
CC([C@H]1[C@H](NC(C2N(C(CC3=C(F)C=CC=C3)=O)CC(O)C2)=O)C1)C
|
|
| MCULE-9837497738 |
0.77 |
OC1CC(C(NCC(C2=CC=CC=C2)C2=CC=CC=C2)=O)NC1
|
|
| MCULE-5829208290 |
0.77 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCN(C(CCC1C=NN(C)C=1)=O)CC(=O)N[C@@H]([C@@H](C)CC)C2=O)O
|
|
| MCULE-1072106569 |
0.77 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCN(CC(=O)N[C@@H]([C@@H](C)CC)C2=O)C(=O)C1=C(C=CC=C1F)F)O
|
|
| MCULE-3037591941 |
0.77 |
[C@@H]1(NCCC1)C(=O)N[C@H](C(=O)O)CC1=CC=C(O)C=C1
|
|
| MCULE-4623395510 |
0.77 |
C(O)(=O)C[C@H]1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N1
|
|
| MCULE-6862616446 |
0.77 |
CC(NC(C1(N(C)CC(O)C1)C)=O)CC1=CC(O)=CC=C1
|
|
| MCULE-4177491447 |
0.77 |
CN1C(CC2=CC=CC=C2)CN(C(CN2C(=O)C(O)CCCC2)=O)CC1
|
|
| MCULE-5207909372 |
0.77 |
C1(CC2C=CC=CC=2C)(CC1)NC(=O)[C@H]1C[C@H](CN1)O
|
|
| MCULE-4739491162 |
0.77 |
N1C(CC(O)=O)C(=O)NC(CC2=CC=CC=C2)C1=O
|
|
| MCULE-4899243040 |
0.77 |
CC(NC(C1NCC(O)C1)=O)CC1C=CC(C(F)(F)F)=CC=1
|
|
| MCULE-2769008276 |
0.77 |
N1(CCNC(=O)[C@@H]1CC1=CC=CC=C1)C(=O)C1(CCC1)COC
|
|
| MCULE-8644054163 |
0.77 |
C(=O)([C@@H]1CCCN1C)N[C@@H](CC1=CC=C(C=C1)O)C(O)=O
|
|
| MCULE-6464033450 |
0.77 |
N12CCC[C@H]1C(=O)NCCCC[C@H](NC(=O)[C@@H]1CCCO1)C(N[C@@H](CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](CC1C=CC=CC=1)C2=O)=O
|
|
| MCULE-5962886735 |
0.77 |
N12CCC[C@H]1C(=O)NCCCC[C@H](NC(=O)[C@H]1CCCO1)C(N[C@@H](CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](CC1C=CC=CC=1)C2=O)=O
|
|
| MCULE-3304087665 |
0.77 |
OC([C@H]1[C@@H](C2=CC=CC=C2)CN(C(CN2C(=O)CCCCC2)=O)C1)=O
|
|
| MCULE-8146399627 |
0.77 |
OC([C@H]1[C@@H](C2=CC=CC=C2)CN(C(CN2C(=O)CCCCCC2)=O)C1)=O
|
|
| MCULE-8173469826 |
0.77 |
CC(C(N1C[C@@H](C2C=CC=CC=2)[C@@H](C(=O)O)C1)=O)NC(C1CCCC1)=O
|
|
| MCULE-9231905567 |
0.77 |
CCCC(N1C(C(N2C[C@@H](C3C=CC=CC=3)[C@@H](C(=O)O)C2)=O)CCCC1)=O
|
|
| MCULE-8289184124 |
0.77 |
OC([C@H]1[C@@H](C2C=CC=CC=2)CN(C(CN2C(=O)CCCCCC2)=O)C1)=O
|
|
| MCULE-9733446541 |
0.77 |
OC([C@H]1[C@@H](C2C=CC=CC=2)CN(C(CN2C(=O)CCCCC2)=O)C1)=O
|
|
| MCULE-1060977273 |
0.77 |
CC(CN1C(C(NC(CC2=CC(C)=CC=C2)CO)=O)CCC1)C
|
|
| MCULE-1645104121 |
0.77 |
CC(N(CC(N1[C@H](C(=O)O)CCC1)=O)CCC1C=CC=CC=1)=O
|
|
| MCULE-6058640105 |
0.77 |
N12CCC[C@]1([H])C(=O)N[C@]([H])(C(C)C)C(=O)N[C@]([H])(CCCN)C(=O)N[C@]([H])(CC(C)C)C(=O)N[C@@]([H])(CC1=CC=CC=C1)C(=O)N1[C@]([H])(CCC1)C(=O)N[C@]([H])(C(C)C)C(=O)N[C@]([H])(CCCN)C(=O)N[C@]([H])(CC(C)C)C(=O)N[C@@]([H])(CC1C=CC=CC=1)C2=O
|
|
| MCULE-3053623573 |
0.77 |
CC(N(CC(N1[C@@H](C(=O)O)CCC1)=O)CCC1C=CC=CC=1)=O
|
|
| MCULE-8887937687 |
0.77 |
N1(C[C@H](CC)NC(=O)[C@H](CC2=CC=CC=C2)NC([C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C1)=O)C(=O)[C@H]1CCC(=O)N1
|
|
| MCULE-3518431828 |
0.77 |
CC(N(CC(N1C(C(=O)O)(C)CCC1)=O)CCC1C=CC=CC=1)=O
|
|
| MCULE-4271576613 |
0.77 |
CN1[C@@H](C(NC(CC2=CC(C)=CC=C2)CO)=O)CCC1
|
|
| MCULE-3697351873 |
0.77 |
CC(N(CC(N1C(C(=O)O)CCC1)=O)CCC1C=CC=CC=1)=O
|
|
| MCULE-1296089889 |
0.77 |
N1(C[C@H](CC)NC(=O)[C@H](CC2=CC=CC=C2)NC([C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C1)=O)C(=O)[C@@H]1CCC(=O)N1
|
|
| MCULE-3189844002 |
0.77 |
N1(C)[C@@H](C)C(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2C=CC=CC=2)CN(C(COC)=O)CC(=O)N[C@@H](CC(C)C)C1=O
|
|
| MCULE-9152473542 |
0.77 |
C(=O)([C@@H]1CCCN1)N1CCC(CC1)C(=O)N[C@@H](CC1C=CC=CC=1)C(O)=O
|
|
| MCULE-8537702567 |
0.77 |
C(CCCN)[C@H](C(N[C@@H](CCCNC(N)=N)C(N1[C@H](CCC1)C(N1[C@H](CCC1)C(NCC(N[C@@H](C(N[C@H](CO)C(N1[C@H](CCC1)C(N[C@H](C(O)=O)CC1C=CC=CC=1)=O)=O)=O)CC1C=CC=CC=1)=O)=O)=O)=O)=O)N
|
|
| MCULE-5687802486 |
0.77 |
Cl.C(=O)(N[C@@H](CC1=CC=CC=C1)C(O)=O)C1(C2=CC=CC=C2)CCN(CC1)C(=O)[C@@H]1CCCN1
|
|
| MCULE-4219422173 |
0.77 |
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(=O)C1(CCC1)COC)C
|
|
| MCULE-6416559713 |
0.77 |
N12CC3C=CC=CC=3C[C@@H]1C(=O)N1[C@@H](C[C@H](C1)O)C2=O
|
|
| MCULE-7117124003 |
0.77 |
C(C1C=CC=CC=1)[C@H]1NC([C@@H](NC([C@]([H])(CCNC([C@]([H])([C@H](O)C)NC(=O)[C@H](CCN)NC(=O)[C@]([H])(CCN)NC(=O)[C@H](CC(C)C)NC1=O)=O)NC(=O)[C@H](CCN)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@H](CCN)NC(=O)CCCC[C@@H](C)CC)=O)CCN)=O
|
|
| MCULE-1355686634 |
0.77 |
C(C1C=CC=CC=1)[C@H]1NC([C@@H](NC([C@]([H])(CCNC([C@]([H])([C@H](O)C)NC(=O)[C@H](CCN)NC(=O)[C@]([H])(CCN)NC(=O)[C@H](CC(C)C)NC1=O)=O)NC(=O)[C@H](CCN)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@H](CCN)NC(=O)CCCCC(C)C)=O)CCN)=O
|
|
| MCULE-9495858892 |
0.77 |
CCC(CCCCC(NC(C(NC(C(NC(C(NC1C(=O)NC(CCN)C(=O)NC(CC2C=CC=CC=2)C(=O)NC(CC(C)C)C(=O)NC(CCN)C(=O)NC(CCN)C(=O)NC(C(O)C)C(=O)NCC1)=O)CCN)=O)C(O)C)=O)CCN)=O)C
|
|
| MCULE-5984999745 |
0.77 |
CCC1=CC=C(CCC(N2[C@@H](CO)CN3[C@@H](CCC3)C2)=O)C=C1
|
|
| MCULE-2427835898 |
0.77 |
CC(CC(NC(C(NC(C(=O)O)CC1C=CC=CC=1)=O)C(C)C)=O)C
|
|
| MCULE-4986086345 |
0.77 |
N1(C)[C@@H](C)C(=O)N[C@@H](CC2C=CC=CC=2)C(=O)NCCN(C(=O)CC2CCN(CC2)C(C)C)CC(=O)N[C@@H](CC(C)C)C1=O
|
|
| MCULE-8645348696 |
0.77 |
CC(C(N[C@@H](C(=O)O)CC1C=CC=CC=1)=O)NC(CC(C)(C)C)=O
|
|
| MCULE-5922163904 |
0.77 |
C(C1C=CC=CC=1)C(C(O)=O)NC(=O)C(N)CC(C)C
|
|
| MCULE-9146185880 |
0.77 |
CC1=CC=C(CCC(N2[C@@H](CO)CN3[C@@H](CCC3)C2)=O)C=C1
|
|
| MCULE-1671951726 |
0.77 |
C(O)(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(C)C)N
|
|
| MCULE-6190223523 |
0.77 |
N12C[C@@H](CC1C(=O)N[C@@H](C)C(=O)N[C@@H]1CCC[C@H]1C(N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC1=CC=CC=C1)C2=O)=O)NC(=O)CN1CCCC1
|
|
| MCULE-1968620616 |
0.77 |
CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC1C=CC(O)=CC=1)C(C)C)CC(=O)O)CCCCN
|
|
| MCULE-9662794145 |
0.77 |
CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC1C=CC(O)=CC=1)C(C)C)CC(=O)O)CCCCN
|
|
| MCULE-6148206244 |
0.77 |
N12C[C@@H](CC1C(=O)N[C@@H](C)C(=O)N[C@@H]1CCC[C@H]1C(N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC1C=CC=CC=1)C2=O)=O)NC(CCCC)=O
|
|
| MCULE-9932982047 |
0.77 |
N12CCC[C@H]1C(=O)NCCCC[C@H](NC(=O)C1(CCC1)C1=CC=C(C=C1)Cl)C(N[C@@H](CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](CC1=CC=CC=C1)C2=O)=O
|
|
| MCULE-1716319206 |
0.77 |
N12C[C@H](C[C@H]1C(=O)N[C@@H](CO)C(=O)N(C)CC(=O)N[C@H](C(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C2=O)NC(=O)[C@@H]1CCCN2CCCC[C@]12[H]
|
|
| MCULE-9014478888 |
0.77 |
C(=O)([C@@H]1C[C@H](CN1)O)N1CCC(CC1)(C1C=CC=CC=1)C(C)=O
|
|
| MCULE-4892063356 |
0.77 |
N1(CCC(O)(C2C=CC=CC=2)C1)C(=O)CN1CCCCCC1
|
|
| MCULE-6751194955 |
0.77 |
C1(CC2C(=O)N3CCCC3C(=O)N2)=CC=C(O)C=C1
|
|
| MCULE-6517589978 |
0.77 |
O=C1N[C@](C(N2[C@]1(CCC2)[H])=O)(CC1=CC=C(O)C=C1)[H]
|
|
| MCULE-2884113138 |
0.77 |
C(=O)(N[C@@H](CC1C=CC=CC=1)C(O)=O)C1(CCCC1)N1CCCC1
|
|
| MCULE-7763212551 |
0.77 |
OC[C@@H]1N(C(C2C3=C(C=CC=C3)C2)=O)C[C@H]2N(CCC2)C1
|
|
| MCULE-1965329309 |
0.77 |
OC1CC(C(NCC2(C3C=CC(Br)=CC=3)CCC2)=O)NC1
|
|
| MCULE-6534662802 |
0.77 |
CC(=O)NC(CC1C=CC=CC=1)C(=O)NC(CC(C)C)C(OC)=O
|
|
| MCULE-4144434406 |
0.77 |
OC1CC(C(NCC2(C3=CC=CC=C3)CCOCC2)=O)NC1
|
|
| MCULE-8136260514 |
0.77 |
N12CCC[C@@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@H](CN(C(C1CCOCC1)=O)CC(=O)N[C@@H](C)C2=O)CC1C=CC=CC=1
|
|
| MCULE-1799287926 |
0.77 |
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)C1CCN(CC1)CCOC)C
|
|
| MCULE-6370457092 |
0.77 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCN(C(=O)COC1C=CC(=C(C)C=1)C)CC(=O)N[C@@H]([C@@H](C)CC)C2=O)O
|
|
| MCULE-8618570361 |
0.77 |
N12C[C@@H](C[C@H]1C(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)COC1=CC=C(C=C1)C[C@H](NC(CCC1C=CC(=CC=1)OC)=O)C(=O)N[C@@H](CC)C2=O)O
|
|
| MCULE-1166555628 |
0.77 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCN(C(C1=CC=NC=C1)=O)CC(=O)N[C@@H]([C@@H](C)CC)C2=O)O
|
|
| MCULE-2463463875 |
0.77 |
OC1CN(C(CC2=C(F)C=CC=C2)=O)C(C(NCCN2CCC(O)CC2)=O)C1
|
|
| MCULE-3124770105 |
0.77 |
N1(CCC(O)(C2C=CC=CC=2C)C1)C(=O)CN1CCCCCC1=O
|
|
| MCULE-3441711823 |
0.77 |
N12CCC[C@@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@H](CN(C(=O)CNC(C)=O)CC(=O)N[C@@H](C)C2=O)CC1=CC=CC=C1
|
|
| MCULE-8489780773 |
0.77 |
N12CCC[C@@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@H](CN(C(=O)CN(C)C)CC(=O)N[C@@H](C)C2=O)CC1C=CC=CC=1
|
|
| MCULE-4146942945 |
0.77 |
CCC[C@@H](C(N1CC(CC2=CC=CC=C2)NCC1)=O)O
|
|
| MCULE-7207819392 |
0.77 |
N12CCC[C@@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@H](CNCC(=O)N[C@@H](C)C2=O)CC1C=CC=CC=1
|
|
| MCULE-4686576101 |
0.77 |
CCCC(C(NC(C(N1CCCC1)=O)CC1C=CC=CC=1)=O)N
|
|
| MCULE-8396371270 |
0.77 |
N12CCC[C@@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@H](CN(C(CCC(C)C)=O)CC(=O)N[C@@H](C)C2=O)CC1=CC=CC=C1
|
|
| MCULE-1772260642 |
0.77 |
N12CCC[C@@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@H](CN(C(=O)C(C)(C)C)CC(=O)N[C@@H](C)C2=O)CC1C=CC=CC=1
|
|
| MCULE-8734770326 |
0.77 |
N12CCC[C@@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@H](CN(C(C(C)C)=O)CC(=O)N[C@@H](C)C2=O)CC1=CC=CC=C1
|
|
| MCULE-9217542227 |
0.77 |
C(O)(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CO)N
|
|
| MCULE-9708423897 |
0.77 |
C(C1C=CC=CC=1)[C@H](N)C(NCC(NCC(N[C@@H](C(N[C@@H]([C@H](O)C)C(NCC(N[C@H](C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCCCN)C(N[C@H](CO)C(N[C@H](C(N[C@@H](CCCNC(N)=N)C(N[C@H](CCCCN)C(N)=O)=O)=O)C)=O)=O)=O)=O)C)=O)=O)=O)CC1C=CC=CC=1)=O)=O)=O
|
|
| MCULE-8844450361 |
0.77 |
CC(C[C@H](C(=O)O)NC(C1N(C(CC2C=CC=CC=2)=O)CCC1)=O)C
|
|
| MCULE-9786315376 |
0.77 |
N1(C)[C@@H](C)C(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)CN(C(=O)CCOC)CC(=O)N[C@@H](CC(C)C)C1=O
|
|
| MCULE-8417438138 |
0.77 |
CCCC(C(O)=O)NC(C1N(C(CC2=CC=CC=C2)=O)CCC1)=O
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|
| MCULE-1754374732 |
0.77 |
N1(C[C@@H](C[C@H]1C(NC)=O)O)C1CCN(CC1)CCCC1C=CC=CC=1
|
|
| MolPort-046-568-724 |
0.77 |
COCC1(CCC1)C(=O)N[C@H]1CCCNC(=O)CN(C)C(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H](C)NC(=O)[C@H](NC1=O)C(C)C
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|
| MolPort-000-790-805 |
0.77 |
Cl.OC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C1(CCN(CC1)C(=O)[C@@H]1CCCN1)C1=CC=CC=C1
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|
| MolPort-045-934-370 |
0.77 |
CC(C)C[C@@H]1NC(=O)CN(CCNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](C)N(C)C1=O)C(=O)CC1CCN(CC1)C(C)C
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| MolPort-044-561-193 |
0.77 |
CCC(C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)CC)[C@@H](C)O
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| MolPort-045-912-012 |
0.77 |
O[C@@H]1C[C@@H]2N(C1)C(=O)[C@H]1CC3=C(CN1C2=O)C=CC=C3
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| MolPort-044-561-192 |
0.77 |
CC[C@H](C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O
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| MolPort-003-957-069 |
0.77 |
CC(C)CC(N)C(=O)NC(CC1=CC=CC=C1)C(O)=O
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CC(C)C[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H]([C@@H](C)O)C(N)=O
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|
| MolPort-039-284-667 |
0.77 |
CC1CCCN1CC(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O
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| MolPort-012-238-315 |
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CC(C)C[C@H](N)C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O
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|
| MolPort-039-284-666 |
0.77 |
CC1CCCN1CC(=O)N[C@H](CC1=CC=CC=C1)C(O)=O
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| MolPort-030-084-299 |
0.77 |
NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC(O)=O
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| MolPort-045-935-093 |
0.77 |
CC(C)C[C@@H]1NC(=O)[C@@H]2CCC[C@H]2NC(=O)[C@H](C)NC(=O)C2C[C@H](CN2C(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H](NC1=O)[C@@H](C)O)NC(=O)CN1CCCC1
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| MolPort-045-932-873 |
0.77 |
CCCCC(=O)N[C@@H]1CC2N(C1)C(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC[C@H]1NC(=O)[C@H](C)NC2=O)[C@@H](C)O
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| MolPort-045-918-578 |
0.77 |
CC(C)[C@H]1NC(=O)CN(C)C(=O)[C@H](CO)NC(=O)[C@@H]2C[C@@H](CN2C(=O)[C@H](CC2=CC=CC=C2)NC1=O)NC(=O)[C@@H]1CCCN2CCCC[C@H]12
|
|
| MolPort-046-573-204 |
0.77 |
CC[C@@H]1NC(=O)[C@H](CCCCNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](NC1=O)[C@@H](C)O)NC(=O)C1(CCC1)C1=CC=C(Cl)C=C1
|
|
| MolPort-044-649-457 |
0.77 |
CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O
|
|
| MolPort-044-688-706 |
0.77 |
OC1(CCN(C1)C(=O)CN1CCCCCC1)C1=CC=CC=C1
|
|
| MolPort-001-740-017 |
0.77 |
OC1=CC=C(CC2NC(=O)C3CCCN3C2=O)C=C1
|
|
| MolPort-021-764-479 |
0.77 |
CC(=O)C1(CCN(CC1)C(=O)[C@@H]1C[C@@H](O)CN1)C1=CC=CC=C1
|
|
| MolPort-042-643-315 |
0.77 |
OC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C1(CCCC1)N1CCCC1
|
|
| MolPort-039-235-306 |
0.77 |
OC1CNC(C1)C(=O)NCC1(CCOCC1)C1=CC=CC=C1
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|
| MolPort-039-293-808 |
0.77 |
OC1CNC(C1)C(=O)NCC1(CCC1)C1=CC=C(Br)C=C1
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|
| MolPort-046-569-841 |
0.77 |
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)C1CCOCC1
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|
| MolPort-046-702-114 |
0.77 |
CCC(C)C(NC(=O)C(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(NC(=O)C(NC(=O)C(CCCCN)NC(=O)C(CCC(O)=O)NC(=O)C(NC(=O)C1CCCN1C(=O)C(CCCN=C(N)N)NC(=O)C(N)CO)C(C)O)C(C)O)C(C)CC)C(C)CC)C(O)=O
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|
| MolPort-046-568-304 |
0.77 |
COCCN1CCC(CC1)C(=O)N[C@H]1CCCNC(=O)CN(C)C(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H](C)NC(=O)[C@H](NC1=O)C(C)C
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|
| MolPort-046-741-318 |
0.77 |
CC[C@@H]1NC(=O)[C@H](CC2=CC=C(OC[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C1=O)C=C2)NC(=O)CCC1=CC=C(OC)C=C1
|
|
| MolPort-045-932-670 |
0.77 |
CC[C@H](C)[C@@H]1NC(=O)CN(CCNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(=O)COC1=CC=C(C)C(C)=C1
|
|
| MolPort-046-585-666 |
0.77 |
CC1=C(C=CC=C1)C1(O)CCN(C1)C(=O)CN1CCCCCC1=O
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|
| MolPort-046-572-876 |
0.77 |
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)CN(C)C
|
|
| MolPort-046-569-954 |
0.77 |
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)CNC(C)=O
|
|
| MolPort-046-567-456 |
0.77 |
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)C(C)(C)C
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|
| MolPort-046-568-285 |
0.77 |
CC(C)CCC(=O)N1C[C@H](CC2=CC=CC=C2)NC(=O)[C@@H](NC(=O)[C@H]2CCCN2C(=O)[C@H](C)NC(=O)C1)C(C)C
|
|
| MolPort-046-573-807 |
0.77 |
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)C(C)C
|
|
| MolPort-046-569-928 |
0.77 |
CC(C)[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](C)NC(=O)CNC[C@H](CC2=CC=CC=C2)NC1=O
|
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| MolPort-023-275-995 |
0.77 |
C[C@@H](O)[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC[C@@H](N)CC1=CC=CC=C1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O
|
|
| MolPort-019-939-103 |
0.77 |
C[C@@H](O)[C@H](NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](CCCCN)C(N)=O
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| MolPort-046-683-503 |
0.77 |
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
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| MolPort-046-568-709 |
0.77 |
COCCC(=O)N1C[C@H](CC2=CC=CC=C2)NC(=O)[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](C)N(C)C(=O)[C@H](CC(C)C)NC(=O)C1)C(C)C
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| MolPort-044-367-793 |
0.77 |
CNC(=O)[C@@H]1C[C@@H](O)CN1C1CCN(CCCC2=CC=CC=C2)CC1
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| MolPort-044-534-966 |
0.76 |
CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N1CCC(O)CC(C)(C)C1
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| MolPort-039-293-793 |
0.76 |
CC(CC1=CC=CC=C1F)NC(=O)C1CC(O)CN1
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|
| MolPort-046-762-322 |
0.76 |
NCCCC[C@@H]1N([C@@H](CCC2=CC=CC=C2)C(O)=O)C(=O)C2CCCN2C1=O
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|
| MolPort-039-002-629 |
0.76 |
COC1(CC(=O)NC(CC2=CC=CC=C2)C(=O)N2CCCC2)CCC1
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| MolPort-045-932-606 |
0.76 |
COCC1(CCC1)C(=O)N1CCNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CC(C)C)NC(=O)C1
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| MolPort-042-147-709 |
0.76 |
CC(C)NC(=O)N1CCC[C@H]1C(=O)NC(CC1=CC=CC=C1)C(O)=O
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| MolPort-020-134-439 |
0.76 |
CC(C)CCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1
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| MolPort-023-276-079 |
0.76 |
C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O
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| MolPort-023-276-706 |
0.76 |
CC[C@H](C)[C@H](NC(=O)[C@@H](CC1=CC2=CC=CC=C2C=C1)NC(=O)[C@H](CO)NC(=O)[C@](C)(CC1=CC=CC=C1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(C)=O)C(O)=O
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|
| MolPort-023-276-707 |
0.76 |
NCCCC[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
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| MolPort-023-276-795 |
0.76 |
CC[C@H](C)[C@H](NC(=O)[C@@H](CC1=CC2=CC=CC=C2C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(C)=O)C(O)=O
|
|
| MolPort-039-238-380 |
0.76 |
C[C@H](NC(=O)C1CCCN1C(=O)CC1=CC=CC=C1)C(O)=O
|
|
| MolPort-046-061-064 |
0.76 |
C[C@@H]1N([C@@H](CO)CN(C)C1=O)C(=O)CCCC1=CC=CC=C1
|
|
| MolPort-000-799-581 |
0.76 |
Cl.OC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C1CCN(CC1)C(=O)[C@@H]1CCCN1
|
|
| MolPort-045-934-514 |
0.76 |
CC[C@H](C)[C@@H]1NC(=O)CN(CCNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(=O)CCN1C=CC=N1
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| MolPort-046-765-045 |
0.76 |
[Na+].[Na+].CC(C)(C)CCN[C@@H](CC([O-])=O)C(=O)N[C@@H](CC1=CC=CC=C1)C([O-])=O
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| MolPort-046-441-002 |
0.76 |
CC1=CC=C(CCC(=O)NCC(=O)N2CCC(O)C22CCCC2)C=C1
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| MolPort-046-569-798 |
0.76 |
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)C1CCOCC1
|
|
| MolPort-045-934-367 |
0.76 |
CC(C)[C@H]1NC(=O)CN(C)C(=O)[C@H](CO)NC(=O)[C@@H]2C[C@@H](CN2C(=O)[C@H](CC2=CC=CC=C2)NC1=O)NC(=O)CN1CCN(C)C1=O
|
|
| MolPort-045-916-182 |
0.76 |
CC(C)C[C@@H]1NC(=O)[C@@H]2CCC[C@H]2NC(=O)[C@H](C)NC(=O)C2C[C@H](CN2C(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H](NC1=O)[C@@H](C)O)NC(=O)[C@H](C)O
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|
| MolPort-046-765-922 |
0.76 |
CC(C)C[C@H](NC(=O)[C@H](CCC1=CC=CC=C1)NC(=O)CN1CCOCC1)C(=O)N[C@H](CC1=CC=CC=C1)C(=O)N[C@H](CC(C)C)C(=O)C(C)(O)CO
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|
| MolPort-046-764-449 |
0.76 |
CC(C)C[C@H](NC(=O)[C@H](CCC1=CC=CC=C1)NC(=O)CN1CCOCC1)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@H](CC(C)C)C(=O)C(C)(O)CO
|
|
| MolPort-046-569-869 |
0.76 |
CC[C@@H]1NC(=O)[C@H](CCCCNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](NC1=O)[C@@H](C)O)NC(=O)C1=CC=CC=C1
|
|
| MolPort-046-684-183 |
0.76 |
N[C@@H](CCC(N)=O)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](CCCNC(N)=N)C(O)=O
|
|
| MolPort-045-934-664 |
0.76 |
CC(C)C[C@@H]1NC(=O)CN(C)C(=O)[C@H](CO)NC(=O)[C@@H]2C[C@@H](CN2C(=O)[C@H](CC2=CC=CC=C2)NC1=O)NC(=O)CN1CCN(C)C1=O
|
|
| MolPort-045-932-077 |
0.76 |
CC(C)C[C@@H]1NC(=O)[C@@H]2CCC[C@H]2NC(=O)[C@H](C)NC(=O)C2C[C@H](CN2C(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H](NC1=O)[C@@H](C)O)NC(=O)C1CC1
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|
| MolPort-045-935-065 |
0.76 |
CC(C)C[C@@H]1NC(=O)[C@@H]2CCC[C@H]2NC(=O)[C@H](C)NC(=O)C2C[C@H](CN2C(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H](NC1=O)[C@@H](C)O)NC(=O)CCC1CCN(C)CC1
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|
| MolPort-019-939-158 |
0.76 |
N[C@H](CCCNC(N)=N)C(=O)N[C@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(O)=O
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|
| MolPort-016-581-123 |
0.76 |
N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(O)=O
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|
| MolPort-044-639-142 |
0.76 |
CO[C@H]1C[C@H]2CN([C@@H](CC3=CC=CC=C3)C(=O)N2C1)C(=O)CCC1=C(OC)C=CC=C1
|
|
| MolPort-046-569-787 |
0.76 |
CC(C)[C@H]1NC(=O)[C@@H](N)CCCNC(=O)CN(C)C(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H](C)NC1=O
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|
| MolPort-046-567-950 |
0.76 |
CC(C)CC(=O)N[C@H]1CCCNC(=O)CN(C)C(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H](C)NC(=O)[C@H](NC1=O)C(C)C
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|
| MolPort-046-568-123 |
0.76 |
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)CC(C)(C)C1=CC=CC=C1
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| MolPort-046-568-165 |
0.76 |
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)CCC1=CC=CC=C1
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|
| MolPort-046-567-298 |
0.76 |
CC(C)CCC(=O)N[C@H]1CCCNC(=O)CN(C)C(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H](C)NC(=O)[C@H](NC1=O)C(C)C
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|
| MolPort-046-567-195 |
0.76 |
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)C(C)C
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0.76 |
CC[C@H](C)[C@@H]1NC(=O)CN(CCNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(=O)CCCC1=CC=CS1
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|
| MolPort-046-568-303 |
0.76 |
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(C)=O
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|
| MolPort-046-078-529 |
0.76 |
CC(C)C(C)(O)CNC(=O)C1CCCN1C(=O)CC1=CC=CC=C1
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|
| MCULE-1482163631 |
0.76 |
CC1=CC=C(CCC(NCC(N2C3(CCCC3)C(O)CC2)=O)=O)C=C1
|
|
| MCULE-2873092105 |
0.76 |
CC(CC(NC(C(N1C[C@@H](C2C=CC=CC=2)[C@@H](C(=O)O)C1)=O)C(C)C)=O)C
|
|
| MCULE-8322813461 |
0.76 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1C=CC=CC=1)C(=O)NCCN(C(=O)CCN1C=CC=N1)CC(=O)N[C@@H]([C@@H](C)CC)C2=O)O
|
|
| MCULE-9064755956 |
0.76 |
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(C1CCOCC1)=O)C
|
|
| MCULE-1216222354 |
0.76 |
OC1CN(C(CC2=C(F)C=CC=C2)=O)C(C(N2CCN(CCCF)CC2)=O)C1
|
|
| MCULE-9677666712 |
0.76 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H]1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC1=CC=CC=C1)C2=O)NC([C@@H](C)O)=O
|
|
| MCULE-5310542803 |
0.76 |
N12CCC[C@H]1C(=O)NCCCC[C@H](NC(C1=CC=CC=C1)=O)C(N[C@@H](CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](CC1=CC=CC=C1)C2=O)=O
|
|
| MCULE-1420878117 |
0.76 |
N12C[C@@H](CC1C(=O)N[C@@H](C)C(=O)N[C@@H]1CCC[C@H]1C(N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC1C=CC=CC=1)C2=O)=O)NC(CCC1CCN(C)CC1)=O
|
|
| MCULE-1972176002 |
0.76 |
OC[C@](NC([C@](CC1=CC=CC=C1)(NC([C@](CCCNC(N)=N)(NC([C@@](N)(CCC(N)=O)[H])=O)[H])=O)[H])=O)(C(N[C@@](CCCNC(N)=N)(C(O)=O)[H])=O)[H]
|
|
| MCULE-9227615200 |
0.76 |
N12C[C@@H](CC1C(=O)N[C@@H](C)C(=O)N[C@@H]1CCC[C@H]1C(N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC1C=CC=CC=1)C2=O)=O)NC([C@H](C)O)=O
|
|
| MCULE-2711484306 |
0.76 |
N12C[C@H](C[C@H]1C(=O)N[C@@H](CO)C(=O)N(C)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1C=CC=CC=1)C2=O)NC(=O)CN1CCN(C)C1=O
|
|
| MCULE-8173852270 |
0.76 |
N12C[C@H](C[C@H]1C(=O)N[C@@H](CO)C(=O)N(C)CC(=O)N[C@H](C(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C2=O)NC(=O)CN1CCN(C)C1=O
|
|
| MCULE-1971126410 |
0.76 |
N12C[C@@H](CC1C(=O)N[C@@H](C)C(=O)N[C@@H]1CCC[C@H]1C(N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC1C=CC=CC=1)C2=O)=O)NC(=O)C1CC1
|
|
| MCULE-3123595818 |
0.76 |
[C@@H](NC(=O)[C@@H](N)CCCNC(=N)N)(C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)O)CC1C=CC=CC=1
|
|
| MCULE-8437062709 |
0.76 |
N12CC(CC1CN(C(CC1=CC=CC=C1)C2=O)C(=O)CCC1=CC=CC=C1OC)OC
|
|
| MCULE-1057676223 |
0.76 |
C(CCNC(N)=N)[C@H](C(N[C@@H](C(N[C@H](C(N[C@@H](CO)C(O)=O)=O)CC(O)=O)=O)CC1C=CC=CC=1)=O)N
|
|
| MCULE-6411436900 |
0.76 |
N12C[C@H](C[C@H]1CN([C@@H](CC1=CC=CC=C1)C2=O)C(=O)CCC1=CC=CC=C1OC)OC
|
|
| MCULE-9024989913 |
0.76 |
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(C(C)C)=O)C
|
|
| MCULE-6332747227 |
0.76 |
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(CCC1=CC=CC=C1)=O)C
|
|
| MCULE-4465855270 |
0.76 |
CC1C=CC(CCC(NCC(N(CC(=O)O)CCC2C=CC=CC=2)=O)=O)=CC=1
|
|
| MCULE-5351340910 |
0.76 |
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](N)C1=O)C
|
|
| MCULE-9016324350 |
0.76 |
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(CCC(C)C)=O)C
|
|
| MCULE-9609884258 |
0.76 |
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)CC(C)(C)C1=CC=CC=C1)C
|
|
| MCULE-8968498967 |
0.76 |
CC1N(CC(N[C@@H](C(=O)O)CC2C=CC=CC=2)=O)C(C)CC1
|
|
| MCULE-8264452937 |
0.76 |
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(C)=O)C
|
|
| MCULE-7213560564 |
0.76 |
C1C=C(CC(NC(=O)C(C(C)C)NC(=O)C(NC(C)=O)C(C)C)C(=O)O)C=CC=1
|
|
| MCULE-4485162965 |
0.76 |
CN(C([C@H]1N(C(C)=O)CCC1)=O)CC(C1=CC=CC=C1)(O)C
|
|
| MCULE-5394741226 |
0.76 |
O=C(NC(C(N1CCCC1)=O)CC1C=CC=CC=1)CCC1CNCC1
|
|
| MCULE-9500968108 |
0.76 |
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(CC(C)C)=O)C
|
|
| MCULE-2416227188 |
0.76 |
CC(C(CNC(C1N(C(CC2=CC=CC=C2)=O)CCC1)=O)(O)C)C
|
|
| MCULE-5994704245 |
0.76 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCN(C(CCCC1=CC=CS1)=O)CC(=O)N[C@@H]([C@@H](C)CC)C2=O)O
|
|
| MCULE-3047768908 |
0.76 |
CN1[C@@H](C(NC(CC(C2=CC=CC=C2)O)CO)=O)CCC1
|
|
| MCULE-4886281655 |
0.76 |
O[C@@H]1C[C@](C2=CC=CC=C2)(C(N2C[C@H]3N(C[C@@H](C3)O)CC2)=O)C1
|
|
| MCULE-4668076092 |
0.76 |
CN1C(C(NCCCC2=C(C)C=C(C)C=C2)=O)(C)CC(O)C1
|
|
| MCULE-6223856465 |
0.76 |
N1C2(CCOCC2)C(=O)N[C@H](CC2=CC=CC=C2)C1=O
|
|
| MCULE-7010579831 |
0.76 |
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(=O)CCOCC)C
|
|
| MCULE-9715531179 |
0.76 |
CN1C(C(NCC2(C3=CC(Cl)=CC=C3)CC2)=O)(C)CC(O)C1
|
|
| MCULE-3642547581 |
0.76 |
O[C@H]1C[C@H](C(NCC2(C3=C(Br)C=CC=C3)CC2)=O)NC1
|
|
| MCULE-3595942245 |
0.76 |
COC1C(C)(C)CN(C(C2N(C(CC3=C(F)C=CC=C3)=O)CC(O)C2)=O)CC1
|
|
| MCULE-7515747999 |
0.76 |
CC(NC1(C(N2CC(C3=CC=C(F)C=C3)(O)CC2)=O)CCCCC1)=O
|
|
| MCULE-1622978266 |
0.76 |
COCC1CN(C(C2N(C(CC3=C(F)C=CC=C3)=O)CC(O)C2)=O)C1
|
|
| MCULE-5136538606 |
0.76 |
CCCC1(CN(C(C2N(C(CC3=C(F)C=CC=C3)=O)CC(O)C2)=O)CC1)CO
|
|
| MCULE-8079577100 |
0.76 |
[C@@H](NC(=O)[C@H](CC(C)C)NC([C@@H](NC(CN1CCOCC1)=O)CCC1C=CC=CC=1)=O)(C(=O)O)CC1C=CC=CC=1
|
|
| MCULE-7743360290 |
0.76 |
CN1C(C(N[C@H]2[C@H](C3=CC(F)=C(F)C(F)=C3)C2)=O)(C)CC(O)C1
|
|
| MCULE-4314952656 |
0.76 |
CC1N(C(C2N(C(CC3=C(F)C=CC=C3)=O)CC(O)C2)=O)CCCC1
|
|
| MCULE-9373904082 |
0.76 |
C(C1C=CC=CC=1)C[C@H](NC(CN1CCOCC1)=O)C(N[C@H](C(=O)N[C@H](C(=O)O)CC1C=CC=CC=1)CC(C)C)=O
|
|
| MCULE-1868965351 |
0.76 |
CC1CN(C(C2N(C(CC3=C(F)C=CC=C3)=O)CC(O)C2)=O)CCCC1
|
|
| MCULE-2881960808 |
0.76 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H]1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC1C=CC=CC=1)C2=O)NC(CCC(C)(C)C)=O
|
|
| MCULE-9245929979 |
0.76 |
C(N[C@@H]([C@@H](C)CC)C(N[C@@H]([C@@H](C)CC)C(N[C@@H](CC(N)=O)C(N[C@@H](CC1=CC=CC=C1)C(N[C@@H](CCC(O)=O)C(N[C@@H](CCCCN)C(N[C@@H](CC(C)C)C(O)=O)=O)=O)=O)=O)=O)=O)([C@H](CO)N)=O
|
|
| MCULE-6519844787 |
0.76 |
C(C)(C)[C@H](C(N[C@@H](C(N1[C@H](CCC1)C(N[C@H](CC(=O)N)C(NCC(N[C@H](C(N[C@H](CCC(O)=O)C(N[C@@H](C(N[C@H](CCC(O)=O)C(N[C@@H](CO)C(N[C@H](C(N[C@@H](CCC(O)=O)C(N[C@H](C(N[C@@H](C(N1[C@@H](CCC1)C(N[C@@H](CC(C)C)C(N[C@H](CCC(O)=O)C(N[C@H](C(O)=O)CC1C=CC=CC=1)=O)=O)=O)=O)CC1C=CC=CC=1)=O)C)=O)=O)C)=O)=O)=O)CC(O)=O)=O)=O)C)=O)=O)=O)=O)CC1C=CC(O)=CC=1)=O)N
|
|
| MCULE-4338700393 |
0.76 |
C(C(O)=O)[C@H](N)C(N[C@H](CC(C)C)C(N[C@@H](C(N[C@H](C(C)C)C(N1[C@@H](CCC1)C(N[C@@H](C(N1[C@@H](CCC1)C(NCC(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](CCCNC(N)=N)C(N[C@@H](C(C)C)C(N[C@@H](CO)C(N[C@@H](C(C)C)C(N[C@@H](C(N[C@@H](C(N[C@H](CCC(O)=O)C(O)=O)=O)C)=O)C)=O)=O)=O)=O)=O)=O)CC(O)=O)=O)CC1C=CC=CC=1)=O)=O)=O)=O)[C@@H](C)CC)=O)=O)=O)CC(O)=O)=O)=O
|
|
| MCULE-6929888643 |
0.76 |
OC[C@](NC([C@@](NC([C@](CCCNC(N)=N)(NC([C@](CCCNC(N)=N)(NC([C@](CC(O)=O)(NC([C@](CC1=CC=CC=C1)(NC([C@](CCCNC(N)=N)(NC(CNC([C@@]1(CCCN1C([C@@](NC([C@@]1(CCCN1C([C@@](NC([C@](CC(O)=O)(NC([C@](CC(C)C)(NC([C@@](N)(CC(O)=O)[H])=O)[H])=O)[H])=O)(C(C)C)[H])=O)[H])=O)([C@@](C)(CC)[H])[H])=O)[H])=O)=O)[H])=O)[H])=O)[H])=O)[H])=O)[H])=O)(C(C)C)[H])=O)(C(N[C@@](C(C)C)(C(N[C@@](C)(C(N[C@@](C)(C(N[C@@](CCC(O)=O)(C(O)=O)[H])=O)[H])=O)[H])=O)[H])=O)[H]
|
|
| MCULE-2106278445 |
0.76 |
C1(=CC=CC=C1)C[C@@H](C(=O)O)NC(=O)[C@@H](N)CC1C=CC=CC=1
|
|
| MCULE-4773286510 |
0.76 |
C(O)(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=CC=CC=C1)N
|
|
| MCULE-3630689322 |
0.76 |
O=C([C@@H](CC1C=CC=CC=1)NC(=O)[C@@H](CC1C=CC=CC=1)N)O
|
|
| MCULE-4270439573 |
0.76 |
C(O)(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)N
|
|
| MCULE-4590589534 |
0.76 |
CN1CCN(C(C(NC(CO)=O)CC2=CC=CC=C2)=O)CC1
|
|
| MCULE-7669128445 |
0.76 |
O=C([C@@H](CC1C=CC=CC=1)NC(=O)[C@@H](CC1C=CC=CC=1)N)O
|
|
| MCULE-4144428310 |
0.76 |
C1C=CC(CC(C(O)=O)NC(=O)C(CC2=CC=CC=C2)N)=CC=1
|
|
| MCULE-4208718548 |
0.76 |
C(C1C=CC=CC=1)C(N)C(=O)NC(C(O)=O)CC(C)C
|
|
| MCULE-6404264357 |
0.76 |
C(=O)([C@@H]1C[C@H](CN1)O)N(C1CCN(CC1)C)CCC1C=CC=CC=1
|
|
| MCULE-4508034920 |
0.76 |
CC(CC(N1C(C(NCC(C(=O)O)CC2C=CC=CC=2)=O)CCC1)=O)(C)C
|
|
| MCULE-1839534356 |
0.76 |
C1(CCCC1)(C(O)=O)NC(=O)CN1CCC(C2=CC=CC=C2)C1
|
|
| MCULE-1249806115 |
0.76 |
N1C[C@@H](C[C@@H]1C(NCCC1=CC=C(C=C1)F)=O)O
|
|
| MCULE-2314408120 |
0.76 |
COCC(C(NC(C(N1CCCC1)=O)CC1C=CC=CC=1)=O)N
|
|
| MCULE-3281776942 |
0.76 |
CCCC(N1C(C(NCC(C(=O)O)CC2C=CC=CC=2)=O)CCC1)=O
|
|
| MCULE-1857410557 |
0.76 |
OC(CCCCC(NC(C(N1CCCC1)=O)CC1C=CC=CC=1)=O)=O
|
|
| MCULE-9375896851 |
0.76 |
CC(N1[C@H](C(N2C(C(C3=CC=CC=C3)O)CCC2)=O)CCC1)=O
|
|
| MCULE-5882470179 |
0.76 |
COC(C(NC([C@H]1NCCC1)=O)CC1C=CC=CC=1)=O
|
|
| MCULE-1248632531 |
0.76 |
CC(NC(C1NCC(O)C1)=O)CC1C=CC=C(Br)C=1
|
|
| MCULE-6078193126 |
0.76 |
COC(C(NC(C1NCCC1)=O)CC1C=CC=CC=1)=O
|
|
| MCULE-6100046247 |
0.76 |
CO[C@H]1C[C@H](C(NC(CC2=CC=C(C(C)C)C=C2)C)=O)NC1
|
|
| MCULE-3351776463 |
0.76 |
N1(C[C@H](CC)NC(=O)[C@H](CC2=CC=CC=C2)NC([C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C1)=O)C(C1CCOCC1)=O
|
|
| MCULE-3743306202 |
0.76 |
CC(NC([C@@H]1NC[C@@H](O)C1)=O)CC1=C(Br)C=CC=C1
|
|
| MCULE-2615495972 |
0.76 |
C1(=O)[C@@H](C(C)C)NC(=O)CN(CCNC([C@@H](CC2=CC=CC=C2)NC(=O)[C@H](CO)NC(=O)[C@H](C)N1)=O)C(=O)[C@@H]1CCCO1
|
|
| MCULE-8112782346 |
0.76 |
N1C(=O)[C@H](CC2C=CC=CC=2)NC(=O)[C@@H](C(C)C)NC(CN(C(=O)[C@H]2CCCO2)CCNC(=O)[C@@H]1[C@@H](C)O)=O
|
|
| MCULE-5447366555 |
0.76 |
C1(=O)[C@@H](C(C)C)NC(=O)CN(CCNC([C@@H](CC2=CC=CC=C2)NC(=O)[C@H](CO)NC(=O)[C@H](C)N1)=O)C(=O)[C@H]1CCCO1
|
|
| MCULE-1056793266 |
0.76 |
N1C(=O)[C@H](CC2C=CC=CC=2)NC(=O)[C@@H](C(C)C)NC(CN(C(=O)[C@@H]2CCCO2)CCNC(=O)[C@@H]1[C@@H](C)O)=O
|
|
| MCULE-6308352781 |
0.76 |
N12CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CC1C=CC(=CC=1)OCC(=O)N[C@H](C(C)C)C2=O)C(=O)N1CCC(CC1)(CO)O
|
|
| MCULE-4852066360 |
0.76 |
C(=O)([C@@H]1CCCN1C)N[C@@H](CC1=CC=CC=C1)C(N)=O
|
|
| MCULE-2766183303 |
0.76 |
OCCC(C1C=CC=CC=1)CNC(C1NCCC1)=O
|
|
| MCULE-8829841708 |
0.76 |
N1(C[C@H](CC)NC(=O)[C@H](CC2=CC=CC=C2)NC([C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C1)=O)C(=O)CN(C)C
|
|
| MCULE-1023804187 |
0.76 |
N1(C)[C@@H](C)C(=O)N[C@@H](CC2C=CC=CC=2)C(=O)NCCNCC(=O)N[C@@H](CC(C)C)C1=O
|
|
| MCULE-6333366570 |
0.76 |
O=C(C1CCC1)NC(C(N1CCCC1)=O)CC1=CC=CC=C1
|
|
| MCULE-9040376453 |
0.76 |
N1(CCN(C(=O)C1)CCC1C=CC=CC=1)C(=O)C(O)CC(C)C
|
|
| MCULE-7405028464 |
0.76 |
N1(C[C@H](CC2=CC=CC=C2)NC(=O)C1)C(CCC1C=C(C)C=C(C)C=1)=O
|
|
| MCULE-9187569686 |
0.76 |
C(=O)(N[C@@H](C)C(N)=O)[C@H]1N(C(=O)[C@H](CC2=CC=CC=C2)N)CCC1
|
|
| MCULE-6793718226 |
0.76 |
N1(C[C@H](CC)NC(=O)[C@H](CC2=CC=CC=C2)NC([C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C1)=O)C(CN)=O
|
|
| MCULE-4818072598 |
0.76 |
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](CC(C)C)C1=O
|
|
| MCULE-5463843646 |
0.76 |
CC(C(C1C=CC=CC=1)CC(N(C(C(=O)O)C)CCNC(=O)C)=O)C
|
|
| MCULE-6316314357 |
0.76 |
N1(C[C@H]2CCCN2C(=O)[C@@H]1C)C(=O)[C@H](CC1C=CC=CC=1)N(C)C
|
|
| MCULE-6749320576 |
0.76 |
N1(C)[C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NCCN(C(CCC2=CC=CC=C2)=O)CC(=O)N[C@@H](CC(C)C)C1=O
|
|
| MCULE-4604223599 |
0.76 |
NC(C1N(CCCC2=C3C(C=CC=C3)=CC=C2)CC(O)C1)=O
|
|
| MCULE-1284612459 |
0.76 |
CCC(C1C=CC=CC=1)CC(N(C(C(=O)O)C)CCNC(=O)C)=O
|
|
| MCULE-4263440311 |
0.76 |
N1(C[C@H](CC)NC(=O)[C@H](CC2C=CC=CC=2)NC([C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C1)=O)C(C)=O
|
|
| MCULE-5058565794 |
0.76 |
Cl.OC([C@@H]1N(CC(NCC2(C3=CC=CC=C3)CC2)=O)CCC1)=O
|
|
| MCULE-8760499481 |
0.76 |
N1(CC[C@H]([C@H](O)C1)C1=CC=C2C(C=CC=C2)=C1)C(=O)CN1CCCCC1=O
|
|
| MCULE-1838573968 |
0.76 |
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(=O)[C@@H]1CCC(=O)N1)C
|
|
| MCULE-9442794536 |
0.76 |
COCCNCC(NC(C(N1CCCC1)=O)CC1=CC=CC=C1)=O
|
|
| MCULE-9695344554 |
0.76 |
Cl.OC(C1N(CC(NCC2(C3C=CC=CC=3)CC2)=O)CCC1)=O
|
|
| MCULE-8180236181 |
0.76 |
CC(C(NC1C(=O)N(CC(O)=O)CCCC1)=O)(CC1=CC=CC=C1)C
|
|
| MCULE-3029201836 |
0.76 |
CC(NC(C1NCC(O)C1)=O)CC1C=CC=CC=1F
|
|
| MCULE-7038303489 |
0.76 |
COC1(CCC1)CC(NC(C(N1CCCC1)=O)CC1C=CC=CC=1)=O
|
|
| MCULE-7172762626 |
0.76 |
OC(C1(CCC1)CC(NC(C(N1CCCC1)=O)CC1C=CC=CC=1)=O)=O
|
|
| MCULE-7112279009 |
0.76 |
OC1C=CC(C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC(C)C)CC(C)C)C(=O)O)=CC=1
|
|
| MCULE-1761385728 |
0.76 |
CC(NC(C(N1CC(C)(C)CC(O)CC1)=O)CC1=CC=C(O)C=C1)=O
|
|
| MCULE-6444456436 |
0.76 |
N1(C)[C@@H](C)C(=O)N[C@@H](CC2C=CC=CC=2)C(=O)NCCN(C(=O)C2(CCC2)COC)CC(=O)N[C@@H](CC(C)C)C1=O
|
|
| MCULE-7647335069 |
0.76 |
OC([C@H]1[C@@H](C2C=CC=CC=2)CN(C(CNC(CCC2CCCC2)=O)=O)C1)=O
|
|
| MCULE-4502024428 |
0.76 |
CC(NC(N1[C@H](C(NC(C(=O)O)CC2C=CC=CC=2)=O)CCC1)=O)C
|
|
| MCULE-8251842831 |
0.76 |
OC([C@H]1[C@@H](C2C=CC=CC=2)CN(C(CNC(CC2CCCCC2)=O)=O)C1)=O
|
|
| MCULE-9888543692 |
0.76 |
CC(CCC(NC(C(N1CCCC1)=O)CC1=CC=CC=C1)=O)C
|
|
| MCULE-5501204536 |
0.76 |
OC([C@@H]1N(CC(NCC2(C3=CC=CC=C3)CC2)=O)CCC1)=O
|
|
| MCULE-7305809085 |
0.76 |
N1(C(CCCC2C=CC=CC=2)=O)[C@@H](CO)CN(C(=O)[C@@H]1C)C
|
|
| MCULE-1366308776 |
0.76 |
CC(C(=O)O)NC(C1N(C(CC2C=CC=CC=2)=O)CCC1)=O
|
|
| MCULE-5960730227 |
0.76 |
OC([C@@H]1N(CC(NCC2(C3C=CC=CC=3)CC2)=O)CCC1)=O
|
|
| MCULE-5262394190 |
0.76 |
C[C@@H](C(O)=O)NC(C1N(C(CC2=CC=CC=C2)=O)CCC1)=O
|
|
| MCULE-7131561035 |
0.76 |
CN(C(CNC(CCC1C=CC(C)=CC=1)=O)=O)C(C(=O)O)CC1C=CC=CC=1
|
|
| MCULE-5059468997 |
0.76 |
OC([C@H]1N(CC(NCC2(C3C=CC=CC=3)CC2)=O)CCC1)=O
|
|
| MCULE-2599210434 |
0.76 |
CC1C=CC(CCC(NCC(NC(C(=O)O)CC2C=CC=CC=2)=O)=O)=CC=1
|
|
| MCULE-3189367565 |
0.76 |
CC1C=CC(CCC(NCC(N[C@@H](C(=O)O)CC2C=CC=CC=2)=O)=O)=CC=1
|
|
| MCULE-1299554091 |
0.76 |
OC(C1N(CC(NCC2(C3C=CC=CC=3)CC2)=O)CCC1)=O
|
|
| MCULE-5636369501 |
0.76 |
Cl.C(=O)([C@@H]1CCCN1)N1CCC(CC1)C(=O)N[C@@H](CC1C=CC=CC=1)C(O)=O
|
|
| MCULE-1026823656 |
0.76 |
CCCC(NCC(N1C[C@@H](C2C=CC=CC=2)[C@@H](C(=O)O)C1)=O)=O
|
|
| MCULE-7580557383 |
0.76 |
CC(C(N1C[C@@H](C2C=CC=CC=2)[C@@H](C(=O)O)C1)=O)NC(C(C)(C)C)=O
|
|
| MCULE-1557420836 |
0.76 |
CN1C(C(NCC(C2=C(C)C=CC=C2)O)=O)(C)CC(O)C1
|
|
| MCULE-3523129644 |
0.76 |
CC(N(CC(N1C[C@@H](C2C=CC=CC=2)[C@@H](C(=O)O)C1)=O)CCC1C=CC=CC=1)=O
|
|
| MCULE-8596253413 |
0.76 |
CC(CC(NCC(N1C[C@@H](C2C=CC=CC=2)[C@@H](C(=O)O)C1)=O)=O)(C)C
|
|
| MolPort-046-566-967 |
0.76 |
CCOCCC(=O)N[C@H]1CCCNC(=O)CN(C)C(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H](C)NC(=O)[C@H](NC1=O)C(C)C
|
|
| MolPort-045-918-443 |
0.76 |
O=C1NC2(CCOCC2)C(=O)N[C@@H]1CC1=CC=CC=C1
|
|
| MolPort-044-461-128 |
0.76 |
O[C@@H]1CN[C@H](C1)C(=O)NCC1(CC1)C1=CC=CC=C1Br
|
|
| MolPort-028-609-465 |
0.76 |
CNC(=O)[C@@H](CC1=CC=CC=C1)N1CCC[C@H]1C(=O)NCCOC
|
|
| MolPort-039-136-626 |
0.76 |
CC(C)C[C@H](NC(=O)[C@H](CCC1=CC=CC=C1)NC(=O)CN1CCOCC1)C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O
|
|
| MolPort-039-600-866 |
0.76 |
CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCCC1CC(=O)C1=CC=CC=C1
|
|
| MolPort-044-449-243 |
0.76 |
CC(=O)NC1(CCCCC1)C(=O)N1CCC(O)(C1)C1=CC=C(F)C=C1
|
|
| MolPort-045-933-142 |
0.76 |
C[C@@H](O)[C@@H]1NC(=O)[C@@H]2CCC[C@H]2NC(=O)[C@H](C)NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H](CC2=CC=CC=C2)NC1=O)NC(=O)CCC(C)(C)C
|
|
| MolPort-016-581-049 |
0.76 |
CC[C@H](C)[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(O)=O
|
|
| MolPort-023-276-997 |
0.76 |
C[C@@H](O)[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(O)=O
|
|
| MolPort-019-938-992 |
0.76 |
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CC1=CC=CC=C1)NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](CC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](N)C(C)C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O
|
|
| MolPort-019-939-147 |
0.76 |
CC[C@H](C)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N[C@H](CCC(O)=O)C(O)=O
|
|
| MolPort-016-580-998 |
0.76 |
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(O)=O
|
|
| MolPort-006-114-509 |
0.76 |
N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O
|
|
| MolPort-023-334-258 |
0.76 |
N[C@H](CC1=CC=CC=C1)C(=O)N[C@H](CC1=CC=CC=C1)C(O)=O
|
|
| MolPort-021-762-570 |
0.76 |
CN1CCC(CC1)N(CCC1=CC=CC=C1)C(=O)[C@@H]1C[C@@H](O)CN1
|
|
| MolPort-039-048-128 |
0.76 |
OC(=O)C1(CCCC1)NC(=O)CN1CCC(C1)C1=CC=CC=C1
|
|
| MolPort-003-910-347 |
0.76 |
NC(CC1=CC=CC=C1)C(=O)NC(CC1=CC=CC=C1)C(O)=O
|
|
| MolPort-046-747-277 |
0.76 |
OC1(CC1)C1CCN(CC1)C(=O)CN1CC(CC1=O)C1=CC=CC=C1
|
|
| MolPort-004-964-879 |
0.76 |
CC(C)C[C@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(O)=O
|
|
| MolPort-030-053-555 |
0.76 |
O[C@H]1CN[C@H](C1)C(=O)NCCC1=CC=C(F)C=C1
|
|
| MolPort-039-293-665 |
0.76 |
CC(CC1=CC=CC(Br)=C1)NC(=O)C1CC(O)CN1
|
|
| MolPort-046-566-928 |
0.76 |
CC[C@H]1CN(CC(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N1)C(=O)C1CCOCC1
|
|
| MolPort-045-935-358 |
0.76 |
CC(C)[C@H]1NC(=O)CN(CCNC(=O)[C@@H](NC(=O)[C@H](CC2=CC=CC=C2)NC1=O)[C@@H](C)O)C(=O)[C@H]1CCCO1
|
|
| MolPort-045-917-834 |
0.76 |
CC(C)[C@H]1NC(=O)CN(CCNC(=O)[C@@H](NC(=O)[C@H](CC2=CC=CC=C2)NC1=O)[C@@H](C)O)C(=O)[C@@H]1CCCO1
|
|
| MolPort-045-933-039 |
0.76 |
CC(C)[C@H]1NC(=O)COC2=CC=C(C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]3CCCN3C1=O)C(=O)N1CCC(O)(CO)CC1)C=C2
|
|
| MolPort-045-933-944 |
0.76 |
CC(C)C[C@@H]1NC(=O)CN(CCNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](C)N(C)C1=O)C(=O)CCC1=CC=CC=C1
|
|
| MolPort-045-932-999 |
0.76 |
CC(C)C[C@@H]1NC(=O)CN(CCNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](C)N(C)C1=O)C(C)=O
|
|
| MolPort-046-580-068 |
0.76 |
CC[C@H]1CN(CC(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N1)C(=O)CN(C)C
|
|
| MolPort-035-673-607 |
0.76 |
C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=CC=C1)C(N)=O
|
|
| MolPort-046-746-703 |
0.76 |
CC1=CC(CCC(=O)N2C[C@H](CC3=CC=CC=C3)NC(=O)C2)=CC(C)=C1
|
|
| MolPort-027-897-730 |
0.76 |
NC(=O)C1CC(O)CN1CCCC1=CC=CC2=CC=CC=C12
|
|
| MolPort-027-652-476 |
0.76 |
O=C(NC(CC1=CC=CC=C1)C(=O)N1CCCC1)C1CCC1
|
|
| MolPort-046-569-779 |
0.76 |
CC[C@H]1CN(CC(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N1)C(C)=O
|
|
| MolPort-046-745-736 |
0.76 |
C[C@@H]1N(C[C@H]2CCCN2C1=O)C(=O)[C@H](CC1=CC=CC=C1)N(C)C
|
|
| MolPort-046-569-029 |
0.76 |
CC[C@H]1CN(CC(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N1)C(=O)CN
|
|
| MolPort-045-953-164 |
0.76 |
CN1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O
|
|
| MolPort-038-416-216 |
0.76 |
CC(C)CC(O)C(=O)N1CCN(CCC2=CC=CC=C2)C(=O)C1
|
|
| MolPort-039-266-874 |
0.75 |
Cl.OC(=O)C1CCCN1CC(=O)NCC1(CC1)C1=CC=CC=C1
|
|
| MolPort-019-808-324 |
0.75 |
O[C@@H]1CN(CC[C@H]1C1=CC2=CC=CC=C2C=C1)C(=O)CN1CCCCC1=O
|
|
| MolPort-005-108-509 |
0.75 |
CC1(C)N(CC2(O)CCCN(CCCC3=CC=CC=C3)C2=O)CCNC1=O
|
|
| MolPort-027-865-941 |
0.75 |
CN(CC(=O)N1C[C@H]([C@@H](C1)C1=CC=CC=C1)C(O)=O)C1CCCC1
|
|
| MolPort-046-546-777 |
0.75 |
CC(C)(CC1=CC=CC=C1)C(=O)NC1CCCCN(CC(O)=O)C1=O
|
|
| MolPort-019-822-970 |
0.75 |
CCN1CCN(CC2(O)CCCN(CCC3=CC=CC=C3)C2=O)CC1=O
|
|
| MolPort-039-307-275 |
0.75 |
Cl.OC(=O)[C@H]1CCCN1CC(=O)NCC1(CC1)C1=CC=CC=C1
|
|
| MolPort-046-570-145 |
0.75 |
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)[C@@H]1CCC(=O)N1
|
|
| MolPort-046-567-396 |
0.75 |
CC[C@@H]1NC(=O)[C@H](CCCCNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](NC1=O)[C@@H](C)O)NC(=O)CC1=C(C=CC=C1)C(F)(F)F
|
|
| MolPort-045-932-347 |
0.75 |
CC(C)C[C@@H]1NC(=O)[C@@H]2CCC[C@H]2NC(=O)[C@H](C)NC(=O)C2C[C@H](CN2C(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H](NC1=O)[C@@H](C)O)NC(=O)[C@@H]1CCCN2CCCC[C@H]12
|
|
| MolPort-045-915-349 |
0.75 |
CC(C)C[C@@H]1NC(=O)[C@@H]2CCC[C@H]2NC(=O)[C@H](C)NC(=O)C2C[C@H](CN2C(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H](NC1=O)[C@@H](C)O)NC(=O)CC1CCCCC1
|
|
| MolPort-046-418-736 |
0.75 |
N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CO)C(O)=O
|
|
| MolPort-046-569-452 |
0.75 |
CC[C@@H]1NC(=O)[C@H](CCCCNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](NC1=O)[C@@H](C)O)NC(=O)CCCC1=CC=C(OC)C=C1
|
|
| MolPort-023-275-963 |
0.75 |
CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CO)C(N)=O
|
|
| MolPort-023-276-348 |
0.75 |
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC2=CC=C(O)C=C2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(O)=O
|
|
| MolPort-023-276-116 |
0.75 |
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CO)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)C(O)=O
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|
| MolPort-023-276-542 |
0.75 |
CC(C)[C@H](NC(=O)CNC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
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| MolPort-046-566-958 |
0.75 |
CC(C)C[C@@H]1NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@H](CCCNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](C)NC1=O)NC(=O)C1=CC=NC=C1
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| MolPort-046-753-739 |
0.75 |
CC[C@@H]1NC(=O)[C@H](CC2=CC=C(OC[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C1=O)C=C2)NC(=O)COC
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| MolPort-000-714-792 |
0.75 |
CC([O-])=O.CC(C)CC(NC(=O)C(CC1=CC=C(O)C=C1)NC(=O)CNC(=O)C(NC(=O)C(C)NC(=O)C([NH3+])CC1=CC=C(O)C=C1)C(C)C)C(=O)N1CCCC1C(N)=O
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|
| MolPort-027-910-002 |
0.75 |
CC(=O)N1CCCC1C(=O)NCC(O)C1=CC2=CC=CC=C2C=C1
|
|
| MolPort-044-683-823 |
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COC(=O)CC[C@@H]1NC(=O)[C@@H](CC2=CC=CC=C2)NC1=O
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| MolPort-001-789-441 |
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CC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC1=CC=C(O)C=C1)C(O)=O
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|
| MolPort-046-780-565 |
0.75 |
O[C@H]1C[C@H]2CN(C[C@H]2C1)C(=O)CN1CC(CC1=O)C1=CC=CC=C1
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| MolPort-039-235-307 |
0.75 |
OC1CNC(C1)C(=O)NCC1(CCCC1)C1=CC=C(F)C=C1
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|
| MolPort-039-235-304 |
0.75 |
OC1CNC(C1)C(=O)NCC1CCCC2=CC=CC=C12
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| MolPort-039-148-913 |
0.75 |
CN(CC(O)=O)C1CN(C[C@H]1O)C(=O)C1CC1C1=CC=CC=C1
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| MolPort-045-933-563 |
0.75 |
C[C@@H](O)[C@@H]1NC(=O)[C@@H]2CCC[C@H]2NC(=O)[C@H](C)NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H](CC2=CC=CC=C2)NC1=O)NC(=O)C1CCN(CC1)C(=O)C1CCCC1
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| MolPort-009-758-377 |
0.75 |
CC(O)=O.CC(C)C[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(C)C)C(=O)N1CCCC1C(N)=O
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| MolPort-045-911-124 |
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O[C@H]1CN[C@@H](C1)C(=O)NCCCC1=C(F)C=CC=C1
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| MolPort-046-569-683 |
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CC[C@@H]1NC(=O)[C@H](CCCCNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](NC1=O)[C@@H](C)O)NC(=O)CN1CCN(CC1)C1=CC(C)=CC=C1
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| MolPort-023-276-309 |
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CN([C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(N)=O)C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1
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| MolPort-045-932-563 |
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CC[C@H](C)[C@@H]1NC(=O)CN(CCNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(=O)C1(CN2C=CC=N2)CC1
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| MolPort-019-939-053 |
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N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC1=CC=CC=C1)C(=O)N[C@H](CC1=CC=CC=C1)C(N)=O
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|
| MolPort-044-482-986 |
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CN(CC1(CC1)C1=CC=CC=C1)C(=O)CN1CCCCC(O)C1=O
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| MolPort-005-084-733 |
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CCN1CCN(CC1)C1(CC2=CC=CC=C2C1)C(=O)N1CC[C@H](O)C1
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|
| MolPort-023-276-131 |
0.75 |
CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCNC(N)=N)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(N)=O)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](CC(C)C)C(N)=O
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| MolPort-028-754-068 |
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N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O
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| MolPort-046-418-553 |
0.75 |
[Na+].[Na+].[2H]C1=C([2H])C([2H])=C(CC[C@H](N[C@@H](C)C(=O)N2CCC[C@H]2C([O-])=O)C([O-])=O)C([2H])=C1[2H]
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| MolPort-046-788-544 |
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CC(C)C1NC(=O)C2CCCN2C(=O)C2CCCN2C(=O)C(CC2=CC=C(O)C=C2)NC(=O)C(CC2=CC=C(O)C=C2)NC1=O
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|
| MolPort-046-596-341 |
0.75 |
CC(C)CC(NC(=O)C(CC1=CC=C(O)C=C1)NC(=O)CNC(=O)C(NC(=O)C(C)NC(=O)C(N)CC1=CC=C(O)C=C1)C(C)C)C(=O)N1CCCC1C(N)=O
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|
| MolPort-044-639-143 |
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CO[C@H]1C[C@H]2CN([C@@H](CC3=CC=CC=C3)C(=O)N2C1)C(=O)COC1=CC(C)=CC=C1
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|
| MolPort-016-602-152 |
0.75 |
O[C@@H]1CCN2[C@@H](C1)C(=O)N(CC2=O)C1CC2=CC=CC=C2C1
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| MolPort-044-467-817 |
0.75 |
OC1CCCCN(CC(=O)NCC2(CC2)C2=CC=CC=C2)C1=O
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|
| MolPort-039-173-258 |
0.75 |
CO[C@H]1C[C@H](N(C)C1)C(=O)NC1(CC2=CC=CC=C2)CC1
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|
| MolPort-039-238-147 |
0.75 |
Cl.CC(CC1=CC=CC=C1Br)NC(=O)[C@H]1C[C@H](O)CN1
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|
| MolPort-027-679-305 |
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O=C([C@H]1CCC(=O)N1)N(CCC1=CC=CC=C1)C1CCOC1
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|
| MolPort-046-697-308 |
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OC1=CC=C(CC2NC(=O)C3CCCN3C(=O)C3CCCN3C(=O)C(CC3=CC=CC=C3)NC(=O)C(CC3=CC=C(O)C=C3)NC2=O)C=C1
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|
| MolPort-046-765-007 |
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C[C@@H]1N(C(CCC2=CC=CC=C2)C(O)=O)C(=O)C2C[C@@H]3CCC[C@@H]3N2C1=O
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| MolPort-003-847-052 |
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[Na+].[2H]C1=C([2H])C([2H])=C(CC[C@H](N[C@@H](C)C(=O)N2CCC[C@H]2C([O-])=O)C(O)=O)C([2H])=C1[2H]
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| MolPort-003-850-032 |
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OC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CCCC1=CC=C2C=CC3=C4C(C=CC1=C24)=CC=C3
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| MolPort-023-275-984 |
0.75 |
N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O
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|
| MolPort-039-235-380 |
0.75 |
Cl.CO[C@@H]1CN[C@H](C1)C(=O)NC(C)CC1=CC=C(C=C1)C(C)C
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|
| MCULE-6665896463 |
0.75 |
C1(CCCN(CCC2C=CC=CC=2)C1=O)(O)CN1CCN(C(=O)C1)CC
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|
| MCULE-9903031119 |
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N1(C[C@H]([C@H](C(O)=O)C1)C1C=CC=CC=1)C(=O)CN(C)C1CCCC1
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|
| MCULE-9769741419 |
0.75 |
C1(CCCN(CCCC2C=CC=CC=2)C1=O)(O)CN1CCNC(=O)C1(C)C
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|
| MCULE-1630594821 |
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C(=O)(N[C@H](C(C)C)C(O)=O)C1(C2C=CC=CC=2)CCN(CC1)C(=O)[C@@H]1CCCN1
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|
| MCULE-5221542834 |
0.75 |
CC(NC(C(N1C[C@@H](C2C=CC=CC=2)[C@@H](C(=O)O)C1)=O)C1CCCC1)=O
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|
| MCULE-6473790740 |
0.75 |
[C@H]1(CCCN1C(=O)[C@@H](N)CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)CC1C=CC=CC=1
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|
| MCULE-7892032832 |
0.75 |
N12C[C@@H](CC1C(=O)N[C@@H](C)C(=O)N[C@@H]1CCC[C@H]1C(N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC1=CC=CC=C1)C2=O)=O)NC(CC1CCCCC1)=O
|
|
| MCULE-8900984149 |
0.75 |
N12CCC[C@H]1C(=O)NCCCC[C@H](NC(CCCC1=CC=C(C=C1)OC)=O)C(N[C@@H](CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](CC1C=CC=CC=1)C2=O)=O
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|
| MCULE-2200296677 |
0.75 |
N12CCC[C@H]1C(=O)NCCCC[C@H](NC(=O)CC1C=CC=CC=1C(F)(F)F)C(N[C@@H](CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](CC1=CC=CC=C1)C2=O)=O
|
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| MCULE-7366634925 |
0.75 |
N12C[C@@H](CC1C(=O)N[C@@H](C)C(=O)N[C@@H]1CCC[C@H]1C(N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC1=CC=CC=C1)C2=O)=O)NC(=O)[C@@H]1CCCN2CCCC[C@]12[H]
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|
| MCULE-7834024242 |
0.75 |
N12C[C@@H](C[C@H]1C(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)COC1=CC=C(C=C1)C[C@H](NC(COC)=O)C(=O)N[C@@H](CC)C2=O)O
|
|
| MCULE-7367907095 |
0.75 |
N12C[C@@H](C[C@H]1C(=O)NCCC[C@H](NC(C1=CC=NC=C1)=O)C(=O)N[C@H](CC1C=CC=CC=1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C2=O)O
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|
| MCULE-5671729842 |
0.75 |
CC(N1C(C(NCC(C2=CC3=C(C=CC=C3)C=C2)O)=O)CCC1)=O
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|
| MCULE-7331501602 |
0.75 |
CN(C(C1N(C(CC2=CC=CC=C2)=O)CCC1)=O)CC(O)=O
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|
| MCULE-6188911040 |
0.75 |
OC1CC(C(N2CCC(CC3C=CC=CC=3)CC2)=O)NC1
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| MCULE-2362728880 |
0.75 |
CCCN(C(C1N(C(CC2=CC=CC=C2)=O)CCC1)=O)CC(O)=O
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|
| MCULE-9614517564 |
0.75 |
CC(C1=CC=CC=C1)(CC(N1[C@@H](CO)CN2[C@@H](CCC2)C1)=O)O
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|
| MCULE-1563799773 |
0.75 |
OC(CNC(C1N(C(CC2C=CC=CC=2)=O)CCC1)=O)=O
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|
| MCULE-5362475162 |
0.75 |
N1C[C@@H](C[C@H]1C(NCCCC1C=CC=CC=1F)=O)O
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|
| MCULE-8800334054 |
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CN1C(C(NCCCC2=CC=C(Cl)C=C2)=O)(C)CC(O)C1
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|
| MCULE-6797009612 |
0.75 |
CC(C1=CC(C(F)(F)F)=CC=C1)CCNC([C@@H]1NC[C@@H](O)C1)=O
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|
| MCULE-7615948001 |
0.75 |
C(=O)(C(CC1C=CC=CC=1)NC(C)=O)NC(CC1=CC=C(C=C1)O)C(O)=O
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|
| MCULE-1680035621 |
0.75 |
OC1CC(C(NCC2C3=C(C=CC=C3)CCC2)=O)NC1
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|
| MCULE-6223345413 |
0.75 |
CN(C1[C@H](O)CN(C(C2C(C3=CC=CC=C3)C2)=O)C1)CC(O)=O
|
|
| MCULE-1754329546 |
0.75 |
OC1CC(C(NCC2(C3=CC=C(F)C=C3)CCCC2)=O)NC1
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|
| MCULE-4190821987 |
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N1[C@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCC(OC)=O)C1=O
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|
| MCULE-1303136767 |
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COCCN(C(C1N(C(CC2=C(F)C=CC=C2)=O)CC(O)C1)=O)C
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|
| MCULE-2128853759 |
0.75 |
OC1CN(C(CC2=C(F)C=CC=C2)=O)C(C(NCC2(C3CC3)CCC2)=O)C1
|
|
| MCULE-9886290488 |
0.75 |
CC1(C(C2CC2)N(C(C2N(C(CC3=C(F)C=CC=C3)=O)CC(O)C2)=O)C1)C
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|
| MCULE-2500494705 |
0.75 |
OC1CN(C(CC2=C(F)C=CC=C2)=O)C(C(NCC2(CCCC2)O)=O)C1
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|
| MCULE-8806565242 |
0.75 |
COC(CN(C(C1N(C(CC2=C(F)C=CC=C2)=O)CC(O)C1)=O)C)C
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|
| MCULE-1759072659 |
0.75 |
COC1CN(C(CNC(CCC2C=CC(C)=CC=2)=O)=O)C(C(=O)O)C1
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| MCULE-1355124480 |
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N12C[C@@H](C[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H]1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC1=CC=CC=C1)C2=O)NC(=O)C1CCN(C(C2CCCC2)=O)CC1
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|
| MCULE-6633006249 |
0.75 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H]1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC1=CC=CC=C1)C2=O)NC(=O)C1CC1
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|
| MCULE-6685119555 |
0.75 |
CC1C(C2=CC=CC=C2)N(C(C2N(C(CC3=C(F)C=CC=C3)=O)CC(O)C2)=O)C1
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|
| MCULE-7559301701 |
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CN(C(CNC(CCC1CCCC1)=O)=O)C(C(=O)O)CC1C=CC=CC=1
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|
| MCULE-4337240354 |
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CO[C@H]1C[C@H](C(NC(CC2=CC=C(C(C)C)C=C2)C)=O)NC1.Cl
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|
| MCULE-2325802739 |
0.75 |
OC(C(NC(CNC(CC1CCCCC1)=O)=O)CC1C=CC=CC=1)=O
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|
| MCULE-2235270712 |
0.75 |
CCCC(N1C(C(NCC(C(=O)O)CC2C=CC=C3C=2C=CC=C3)=O)CCC1)=O
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|
| MCULE-8643164500 |
0.75 |
C(=O)(CN1CCCCC1)NC(CC1=CC=CC=C1)C(O)=O
|
|
| MCULE-7354259066 |
0.75 |
[C@H]1(CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CC1C=CC=CC=1)CC1C=CC=CC=1
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|
| MCULE-5794596289 |
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OC1C(=O)N(CC(NCC2(C3=CC=CC=C3)CC2)=O)CCCC1
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| MCULE-2894915095 |
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OC([C@H](NC(CNC(C1CCCCC1)=O)=O)CC1C=CC=CC=1)=O
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|
| MCULE-4946143472 |
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CN(C(CNC(CC1CCCCC1)=O)=O)C(C(=O)O)CC1C=CC=CC=1
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| MCULE-9256605014 |
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OC(C(NC(CNC(CCC1CCCC1)=O)=O)CC1C=CC=CC=1)=O
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|
| MCULE-3367922861 |
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C(=O)(CN1CCC(CC1)C)NC(CC1C=CC=CC=1)C(O)=O
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| MCULE-8501541960 |
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CO[C@@H]1CN(C)[C@H](C(NC2(CC2)CC2=CC=CC=C2)=O)C1
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| MCULE-4150696824 |
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N1(CC(=O)N2[C@@]([H])(C[C@@H](CC2)O)C1=O)C1CC2=C(C=CC=C2)C1
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OC([C@H](NC(CNC(CC1CCCCC1)=O)=O)CC1C=CC=CC=1)=O
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| MCULE-7911735340 |
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NC([C@@H](NC(=O)[C@H](NC(=O)[C@@H]1CCCN1C([C@@H](N)CC1=CC=C(O)C=C1)=O)CC1C=CC=CC=1)CC1C=CC=CC=1)=O
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| MCULE-3874778047 |
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OC([C@H](NC(CNC(CCC1CCCC1)=O)=O)CC1C=CC=CC=1)=O
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Cl.CC(NC([C@@H]1NC[C@@H](O)C1)=O)CC1=C(Br)C=CC=C1
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| MCULE-4050557914 |
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OC([C@H](NC(CN1C(=O)C2C(CCCC2)C1=O)=O)CC1C=CC=CC=1)=O
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|
| MCULE-8204542044 |
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N12CCC[C@H]1C(=O)NCCCC[C@H](NC(=O)CN1CCN(CC1)C1=CC=CC(C)=C1)C(N[C@@H](CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](CC1C=CC=CC=1)C2=O)=O
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| MCULE-7791505727 |
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CN1C(C(NCC2CN(CCC3=CC=CC=C3)CC2)=O)(C)CC(O)C1
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| MCULE-2412289472 |
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CC1CCN(CC(N[C@@H](C(=O)O)CC2C=CC=CC=2)=O)CC1
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| MCULE-7532660852 |
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N1(C)[C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NCCN(C(=O)COC(C)C)CC(=O)N[C@@H](CC(C)C)C1=O
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| MCULE-2204524706 |
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C1(C(CC)C)C(=O)N(C)C(CC2C=CC=CC=2)C(=O)NC(CC2C=CC(O)=CC=2)C(=O)N2CCCC2C(=O)NC(C)C(=O)N1
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| MCULE-9299424663 |
0.75 |
OC([C@H](NC(CNC(CC1CCCC1)=O)=O)CC1C=CC=CC=1)=O
|
|
| MCULE-9083596322 |
0.75 |
N12C[C@H](C[C@H]1CN([C@@H](CC1=CC=CC=C1)C2=O)C(=O)COC1=CC=CC(C)=C1)OC
|
|
| MCULE-1412854379 |
0.75 |
CCCC(N1C(C(NCC(C(=O)O)CC2C=CC3C=CC=CC=3C=2)=O)CCC1)=O
|
|
| MCULE-5814641223 |
0.75 |
C1(CC2C(=CC=CC=2)C1)(N1CCN(CC1)CC)C(=O)N1CC[C@H](O)C1
|
|
| MCULE-6737992165 |
0.75 |
OC1CC(C(NCCC2=CC=C(Br)C=C2)=O)NC1
|
|
| MCULE-8288740293 |
0.75 |
O=C(N(C1COCC1)CCC1=CC=CC=C1)[C@@H]1NC(=O)CC1
|
|
| MCULE-4211902246 |
0.75 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](CC1C=CC=CC=1)C(=O)NCCN(CC(=O)N[C@@H]([C@@H](C)CC)C2=O)C(=O)C1(CN2C=CC=N2)CC1)O
|
|
| MCULE-6320765918 |
0.75 |
C1(C2N(CCC2)C(=O)C(CC2C=CC=CC=2)NC(=O)C(CC2C=CC(O)=CC=2)NC(=O)C(CC2C=CC(O)=CC=2)NC(=O)C2N1CCC2)=O
|
|
| MCULE-9753139177 |
0.75 |
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)CC1C=CC=CC=1)=O)=O
|
|
| MCULE-8307928569 |
0.75 |
CC1C=CC=C(CC(C(=O)O)CNC(C2N(C(CC(C)(C)C)=O)CCC2)=O)C=1
|
|
| MCULE-3230382375 |
0.75 |
C(N)(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1C=CC(O)=CC=1)N
|
|
| MCULE-4623728651 |
0.75 |
CN(C(CN1C(=O)C(O)CCCC1)=O)CC1(C2=CC=CC=C2)CC1
|
|
| MCULE-3622521587 |
0.75 |
CN1C(C(NCCC2=C(C)C=C(C)C=C2C)=O)(C)CC(O)C1
|
|
| MCULE-1418282908 |
0.75 |
CN1C(C(NCC(C2=C(C)C=C(C)C=C2)(C)C)=O)(C)CC(O)C1
|
|
| MCULE-6410119875 |
0.75 |
CN1C(C(NCCC2=CC(O)=CC=C2)=O)(C)CC(O)C1
|
|
| MCULE-7340494737 |
0.75 |
CCCC(N1C(C(NCC(C(=O)O)CC2C=CC=C(C)C=2)=O)CCC1)=O
|
|
| MCULE-6228769747 |
0.75 |
N12CCC[C@@H]1C(=O)N[C@H](CC(C)C)C(=O)N[C@H]1CCO[C@@H]([C@H]1O)CN(C(C1CCOCC1)=O)CC(=O)N[C@@H](CC1C=CC=CC=1)C2=O
|
|
| MCULE-6030031967 |
0.75 |
N12C[C@@H](C[C@H]1C(=O)NCCC[C@H](NC(CC1=CC(OC)=C(C(OC)=C1)OC)=O)C(=O)N[C@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C2=O)O
|
|
| MCULE-4178886911 |
0.75 |
C1(=O)[C@@H]2CCCN2C(=O)CN(C[C@H]2OCC[C@@H]([C@@H]2O)NC(=O)[C@H](CC2C=CC=CC=2)NC(=O)[C@H](C)N1C)C(C1CCOCC1)=O
|
|
| MCULE-1814583967 |
0.75 |
CC(C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)N)CCCNC(=N)N)CC(C)C)CC1C=CC(O)=CC=1)CO)CC1C=CC=CC=1)C(=O)N)C
|
|
| MCULE-9109290857 |
0.75 |
[C@H](C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N)CC(C)C)CC1C=CC=CC=1)(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)O)CC1C=CC(O)=CC=1
|
|
| MCULE-7906881977 |
0.75 |
C(C(O)=O)[C@H](N)C(N[C@H](CCCNC(N)=N)C(N[C@H](CC(C)C)C(N[C@@H](C(N[C@@H](CO)C(N[C@@H](C(NCC(N[C@@H](CC(C)C)C(N)=O)=O)=O)CC1C=CC=CC=1)=O)=O)CC1C=CC(O)=CC=1)=O)=O)=O
|
|
| MCULE-5388246737 |
0.75 |
N12C[C@@H](CC1C(=O)N[C@@H](C)C(=O)N[C@@H]1CCC[C@H]1C(N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC1C=CC=CC=1)C2=O)=O)NC(=O)CCOC
|
|
| MCULE-9755934408 |
0.75 |
N1(CCCC1C(O)=O)C(=O)C(CC1=CC=CC=C1)NC(C1C=CC=CC=1)=O
|
|
| MCULE-7779735228 |
0.75 |
COC1CN(C(CN(C(=O)C)CCC2C=CC=CC=2)=O)C(C(=O)O)C1
|
|
| MCULE-3178711740 |
0.75 |
C(=O)(CC([H])(CNC(=O)C1CCCN1)C1C=CC(=CC=1)Cl)NC(CC1C=CC=CC=1)C(O)=O
|
|
| MCULE-9948995552 |
0.75 |
CN1C(C(NCC(C(F)(F)F)(C2=CC=CC=C2)O)=O)(C)CC(O)C1
|
|
| MCULE-7110043221 |
0.75 |
OC1C(CCC2=CC=CC=C2)N(C([C@H]2NC(=O)CC2)=O)CCC1
|
|
| MCULE-8822510275 |
0.75 |
C1(CCCN(CCC2C=CC=CC=2)C1=O)(O)CN1CCN(C(=O)C1)C1CCCC1
|
|
| MCULE-4007767060 |
0.75 |
C(=O)(N[C@H](C(C)C)C(O)=O)C1(C2C=CC=CC=2)CCN(CC1)C(=O)[C@@H]1CCCN1.Cl
|
|
| MCULE-8799096790 |
0.75 |
C1(C2=CC=CC=C2)(CC1)C(=O)N1CCC(CC1)N1C[C@@H](C[C@H]1C(N)=O)O
|
|
| MCULE-8388559868 |
0.75 |
CC1C=CC(CCC(NCC(N2C[C@@H](C3C=CC=CC=3)[C@@H](C(=O)O)C2)=O)=O)=CC=1
|
|
| MCULE-2550197185 |
0.75 |
C1(C2=CC=CC=C2)(CC1)C(=O)N1CCC(CC1)N1CC(CC1C(N)=O)O
|
|
| MCULE-3748925258 |
0.75 |
COC1(CCC1)CC(NC(C(N1CCCCC1)=O)CC1=CC=CC=C1)=O
|
|
| MCULE-3406602681 |
0.75 |
C1(N(C)CCC2=CC=CC=C2)(CC2C(=CC=CC=2)C1)C(=O)N1CC[C@H](O)C1
|
|
| MCULE-8916761254 |
0.75 |
CC(C(=O)O)(CNC(C1N(C(CC2C=CC=CC=2)=O)CCC1)=O)O
|
|
| MCULE-4977003281 |
0.75 |
N1(CC(O)CN(CCC2=CC=CC=C2)C(=O)C1)C(CCC1=CC=CC=C1)=O
|
|
| MCULE-8884520090 |
0.75 |
C(=O)(CN1CCC(O)(C2C=CC=CC=2)C1)N1CCCCCC1
|
|
| MCULE-4502336417 |
0.75 |
CN1C(=O)CN(C(CC(C2=CC=CC=C2)(C)C)=O)C(C(O)=O)C1
|
|
| MCULE-9345596192 |
0.75 |
C(=O)([C@@H](N)CC1C=CC=CC=1)N1CCC(CC1)C(=O)NCC(=O)NCC(O)=O
|
|
| MCULE-4480202454 |
0.75 |
CN1C(=O)CN(C(CCC2=CC=CC=C2)=O)C(C(O)=O)C1
|
|
| MCULE-1619208728 |
0.75 |
CC(CC(NCC(NC(C(=O)O)CC1C=CC=CC=1)=O)=O)(C)C
|
|
| MCULE-8513795702 |
0.75 |
CN(C(CNC(CC(C)(C)C)=O)=O)C(C(=O)O)CC1C=CC=CC=1
|
|
| MCULE-8224844702 |
0.75 |
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](CC(C)C)C1=O
|
|
| MCULE-5952475326 |
0.75 |
CC(C[C@@H](C(=O)O)NC(CNC(C(CC1C=CC=CC=1)(C)C)=O)=O)C
|
|
| MCULE-6521157369 |
0.75 |
CC(CC(NCC(N[C@@H](C(=O)O)CC1C=CC=CC=1)=O)=O)(C)C
|
|
| MCULE-5724241010 |
0.75 |
CC(C[C@@H](C(=O)O)NC(CNC(CCC1C=CC=CC=1)=O)=O)C
|
|
| MCULE-2009240209 |
0.75 |
N1(CC[C@@]([C@@H](O)C1)(C)O)C(=O)CN1CCC(CC1)C1C=CC=CC=1
|
|
| MCULE-9130341015 |
0.75 |
N1(C[C@H](CC)NC(=O)[C@H](CC2=CC=CC=C2)NC([C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C1)=O)C(C1CCC1)=O
|
|
| MCULE-6797312946 |
0.75 |
CCCC(NCC(N[C@@H](C(=O)O)CC1C=CC=CC=1)=O)=O
|
|
| MCULE-6963738080 |
0.75 |
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](CC(C)C)NC(=O)C1)=O
|
|
| MCULE-8960814595 |
0.75 |
CCC(C(N[C@@H](C(=O)O)CC1C=CC=CC=1)=O)N(CC)CC
|
|
| MCULE-2233651071 |
0.75 |
CCCC(NCC(N(C(C(=O)O)CC1C=CC=CC=1)C)=O)=O
|
|
| MCULE-4810886411 |
0.75 |
CC(C[C@@H](C(=O)O)NC(CNC(CC(C1C=CC=CC=1)(C)C)=O)=O)C
|
|
| MCULE-6464912209 |
0.75 |
N1(CCN(C(=O)C1)CCC1C=CC=CC=1)C(=O)CN1CCCC(O)C1
|
|
| MCULE-5863018450 |
0.75 |
CCCC(NCC(NC(C(=O)O)CC1C=CC=CC=1)=O)=O
|
|
| MCULE-5216331151 |
0.75 |
C(N[C@@H]([C@@H](C)CC)C(N[C@@H]([C@@H](C)CC)C(N[C@@H](CC(N)=O)C(N[C@@H](CC1=CC=CC=C1)C(N[C@@H](CCC(O)=O)C(N[C@@H](CCCCN)C(N[C@@H](CC(C)C)C(O)=O)=O)=O)=O)=O)=O)=O)([C@H](CO)N)=O.OC(=O)C(F)(F)F
|
|
| MCULE-8069384390 |
0.75 |
O[C@H]1[C@@H](C[C@](C(=O)N[C@H](CC2C=CC=CC=2)C(N)=O)(C[C@@H]1NC(CC1(CC(O)=O)CCCC1)=O)O)O
|
|
| MCULE-2661380880 |
0.75 |
N12C[C@@H](C[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H]1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC1=CC=CC=C1)C2=O)NC(C1CCCCC1)=O
|
|
| MCULE-7137782180 |
0.75 |
CCC1=C([C@H]2[C@H](C(N3[C@H](C(N4CCCC4)=O)C[C@H](OC)C3)=O)C2)C=CC=C1
|
|
| MCULE-9204976617 |
0.75 |
[C@@H]1(C(O)=O)CN(C[C@H]1C1C=CC=CC=1C)C(=O)CN1CCCCC1=O
|
|
| MCULE-4838109487 |
0.75 |
OC1CN(C(CC2=C(F)C=CC=C2)=O)C(C(NC2CC3(CC3)CCC2)=O)C1
|
|
| MCULE-1967390677 |
0.75 |
OC1CN(C(CC2=C(F)C=CC=C2)=O)C(C(N2CC3CC(CCC3)C2)=O)C1
|
|
| MCULE-1426153951 |
0.75 |
COC1(CCC1)CC(NC(C(N1CCOCC1)=O)CC1=CC=CC=C1)=O
|
|
| MCULE-3110681657 |
0.75 |
C(=O)(C(CC1C=CC=CC=1)NC([C@@]([H])(C)N)=O)N[C@]([H])(CC(C)C)C(=O)N[C@@]([H])(CCCNC(N)=N)C(O)=O
|
|
| MCULE-5688221637 |
0.75 |
OC([C@H]1[C@H](C2=CC=C(Cl)C=C2)CN(C(CN2C(=O)CCCC2)=O)C1)=O
|
|
| MCULE-2698295095 |
0.75 |
C(=O)(C(CC1C=CC=CC=1)NC(C(C)N)=O)NC(CC(C)C)C(=O)NC(CCCNC(N)=N)C(O)=O
|
|
| MCULE-8460615456 |
0.75 |
OCCCC1CCN(C(C2N(C(CC3=C(F)C=CC=C3)=O)CC(O)C2)=O)CC1
|
|
| MCULE-7350156075 |
0.75 |
OCC(NC(C1N(C(CC2=C(F)C=CC=C2)=O)CC(O)C1)=O)CCF
|
|
| MCULE-7718396144 |
0.75 |
N12CCC[C@@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@H](CN(C(=O)[C@H]1CCCO1)CC(=O)N[C@@H](C)C2=O)CC1C=CC=CC=1
|
|
| MCULE-3930580205 |
0.75 |
COC1(CN(C(C2N(C(CC3=C(F)C=CC=C3)=O)CC(O)C2)=O)C1)C
|
|
| MCULE-8678753104 |
0.75 |
OC1CN(C(CC2=C(F)C=CC=C2)=O)C(C(N2CCC3(CCCC3)CC2)=O)C1
|
|
| MCULE-1877772659 |
0.75 |
CN(C(C1N(C(CC2=C(F)C=CC=C2)=O)CC(O)C1)=O)CCCN1CCCC1
|
|
| MCULE-4842150475 |
0.75 |
COCC1(CN(C(C2N(C(CC3=C(F)C=CC=C3)=O)CC(O)C2)=O)C1)O
|
|