| MCULE-3015385363 |
0.69 |
C12C(CC(CC=1CC1(CC2(O)CC(C1)(C)C)C)(C)C)NC(=O)C1C=CC(=CC=1)N(=O)=O
|
|
| MolPort-003-812-894 |
0.66 |
CC1(C)CC(NC(=O)C2=CC=C(C=C2)[N+]([O-])=O)C2=C(C1)CC1(C)CC(C)(C)CC2(O)C1
|
|
| MCULE-1355350219 |
0.64 |
C1(C(=O)NCC2=CC=CC=C2)=C(C)C(OC21CCCCCC2)=O
|
|
| MolPort-044-859-975 |
0.63 |
CCOC1CC(NC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)C11CCCC1
|
|
| MolPort-002-511-434 |
0.63 |
CC1=CC[C@]23O[C@@]2(C)CC[C@H]2C(CN4CCN(CC4)C(=O)C4=CC=CC=C4)C(=O)O[C@@H]2[C@@H]13
|
|
| MCULE-1350865932 |
0.63 |
CCOC1C2(CCCC2)C(NC(C2C[C@@H](O)[C@H](O)[C@H](O)C=2)=O)C1
|
|
| MCULE-5796167398 |
0.63 |
O[C@H]1[C@H](O)[C@H](O)C=C(C(NC2CC3(CCCC3)OCC2)=O)C1
|
|
| MCULE-5928542463 |
0.63 |
CCC1=CC=C(C(N2CC=C(C3(C(O)=O)CCOCC3)CC2)=O)C=C1
|
|
| MolPort-046-537-604 |
0.63 |
CCC1=CC=C(C=C1)C(=O)N1CCC(=CC1)C1(CCOCC1)C(O)=O
|
|
| MolPort-044-860-006 |
0.63 |
O[C@@H]1CC(=C[C@@H](O)[C@H]1O)C(=O)NC1CCOC2(CCCC2)C1
|
|
| MolPort-007-753-924 |
0.63 |
CC(NC(=O)C1=C(C)C(=O)OC11CCCCCC1)C1=CC=CC=C1
|
|
| MolPort-002-513-554 |
0.62 |
CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)C3CNCC1=CC=C(F)C=C1
|
|
| MolPort-023-236-207 |
0.62 |
O=C(OCC1CN(CC2=CC=CC=C2)C(=O)C1)C1CCC=CC1
|
|
| MolPort-002-514-339 |
0.62 |
CCCCC[C@H](O)\C=C\[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)N(CC1=CC=CC=C1)C1CCOC(C)(C)C1
|
|
| MolPort-044-872-476 |
0.62 |
O[C@@H]1CC(=C[C@@H](O)[C@H]1O)C(=O)N1CCC2COCC2C1
|
|
| MolPort-044-872-207 |
0.62 |
O[C@@H]1CC(=C[C@@H](O)[C@H]1O)C(=O)NC1CCCC2OCCC12
|
|
| MolPort-046-473-225 |
0.62 |
O=C(NCC1=CCCOC1)C1=CC=CC(=C1)C(=O)N1CCCCC1
|
|
| MolPort-007-753-931 |
0.62 |
CC1=C(C(=O)NCC2=C(C)C=CC=C2)C2(CCCCCC2)OC1=O
|
|
| MCULE-7182439480 |
0.62 |
C1(=C(C)C(OC21CCCCCC2)=O)C(=O)NC(C)C1C=CC=CC=1
|
|
| MCULE-7662497070 |
0.62 |
O=C(C1CC=CCC1)OCC1CC(=O)N(CC2=CC=CC=C2)C1
|
|
| MCULE-1710010577 |
0.62 |
O[C@H]1[C@H](O)[C@H](O)C=C(C(NC2C3C(OCC3)CCC2)=O)C1
|
|
| MCULE-8772954371 |
0.62 |
O[C@H]1[C@H](O)[C@H](O)C=C(C(N2CC3C(COC3)CC2)=O)C1
|
|
| MCULE-2422384920 |
0.62 |
O=C(C1=CC(C(N2CCCCC2)=O)=CC=C1)NCC1COCCC=1
|
|
| MCULE-1253046864 |
0.62 |
C1(C(=O)NCC2=CC=CC=C2C)=C(C)C(OC21CCCCCC2)=O
|
|
| MCULE-8137149586 |
0.62 |
CCOC1C2(CCCCC2)C(NC(C2C[C@@H](O)[C@H](O)[C@H](O)C=2)=O)C1
|
|
| MCULE-6754444475 |
0.62 |
CC1(C(C2CC2)OCC1)CNC(C1C[C@@H](O)[C@H](O)[C@H](O)C=1)=O
|
|
| MCULE-6644351026 |
0.62 |
O=C(C1CC=CC1)OCC1CN(C(C2=CC=CC=C2)=O)CCC1
|
|
| MCULE-5300440194 |
0.62 |
CC1C(C2=CC=CC=C2)N(C(C2C[C@@H](O)[C@H](O)[C@H](O)C=2)=O)C1
|
|
| MCULE-6386975849 |
0.62 |
C1(C(=O)NCC2C=CC(=CC=2)C)=C(C)C(OC21CCCCC2)=O
|
|
| MCULE-4077422168 |
0.62 |
O[C@H]1[C@H](O)[C@H](O)C=C(C(N2C(C3=CC=CC=C3)CCCCC2)=O)C1
|
|
| MCULE-5678233901 |
0.62 |
CC1(C2C(CCO2)C1NC(C1C[C@@H](O)[C@H](O)[C@H](O)C=1)=O)C
|
|
| MCULE-9210599281 |
0.62 |
O[C@@H]1[C@@H](C=C(C[C@H]1O)C(NCCC(N)=O)=O)NC(=O)C1C=CC(=CC=1)C
|
|
| MCULE-9276065629 |
0.62 |
C1(CCCCC=1C(O)=O)C(=O)NCC1C=CC=CC=1
|
|
| MCULE-5480854193 |
0.62 |
C1(CCCCC=1C(O)=O)C(=O)N(C)CC1=CC=CC=C1
|
|
| MCULE-8862651701 |
0.62 |
CN(C(C1=CC=CC=C1)=O)C1CC2N(CC3COCCC=3)C(CC2)C1
|
|
| MCULE-6690491060 |
0.62 |
C1(C(NCCCN(CCCC)CC2C=CC=CC=2)=O)=C(C)C(OC21CCCCCC2)=O
|
|
| MCULE-7491975112 |
0.62 |
C1(C(NCCCN(C(C)C)CC2C=CC=CC=2)=O)=C(C)C(OC21CCCCCC2)=O
|
|
| MolPort-044-872-266 |
0.62 |
CC1(CNC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)CCOC1C1CC1
|
|
| MolPort-044-859-958 |
0.62 |
CCOC1CC(NC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)C11CCCCC1
|
|
| MolPort-023-240-268 |
0.62 |
O=C(OCC1CCCN(C1)C(=O)C1=CC=CC=C1)C1CC=CC1
|
|
| MolPort-007-927-309 |
0.62 |
CC1=C(C(=O)NCC2=CC=C(C)C=C2)C2(CCCCC2)OC1=O
|
|
| MolPort-044-859-972 |
0.62 |
CC1CN(C1C1=CC=CC=C1)C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1
|
|
| MolPort-044-859-977 |
0.62 |
O[C@@H]1CC(=C[C@@H](O)[C@H]1O)C(=O)N1CCCCCC1C1=CC=CC=C1
|
|
| MolPort-001-748-011 |
0.62 |
CC1=CC=C(C=C1)C(=O)N[C@@H]1C=C(C[C@@H](O)[C@@H]1O)C(=O)NCCC(N)=O
|
|
| MolPort-044-872-136 |
0.62 |
CC1(C)C(NC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)C2CCOC12
|
|
| MolPort-002-930-886 |
0.62 |
OC(=O)C1=C(CCCC1)C(=O)NCC1=CC=CC=C1
|
|
| MolPort-039-232-027 |
0.62 |
CN(C1CC2CCC(C1)N2CC1=CCCOC1)C(=O)C1=CC=CC=C1
|
|
| MolPort-007-753-996 |
0.62 |
CCCCN(CCCNC(=O)C1=C(C)C(=O)OC11CCCCCC1)CC1=CC=CC=C1
|
|
| MolPort-007-753-997 |
0.62 |
CC(C)N(CCCNC(=O)C1=C(C)C(=O)OC11CCCCCC1)CC1=CC=CC=C1
|
|
| MolPort-035-669-069 |
0.62 |
CC(NC(C[C@@H]1C(=C)CCC2[C@](C)(COC(C)=O)[C@@H](CC[C@@]12C)OC(C)=O)C1=CCOC1=O)C1=CC=CC=C1
|
|
| MolPort-044-872-219 |
0.61 |
O[C@@H]1CC(=C[C@@H](O)[C@H]1O)C(=O)NC1CCOC2(CCCCC2)C1
|
|
| MolPort-044-872-157 |
0.61 |
CC1(C)C(NC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)C2CCCOC12
|
|
| MolPort-039-119-325 |
0.61 |
CC(NC(=O)C1=CC(CN(C)C)=CC=C1)C1=CCCCC1
|
|
| MolPort-002-523-891 |
0.61 |
C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(CN(C)CC4=CC=CC=C4)[C@H]3C=C12
|
|
| MolPort-002-514-591 |
0.61 |
C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(CNCC4=CC=CC=C4)[C@H]3C=C12
|
|
| MolPort-006-669-327 |
0.61 |
CCOC(=O)C[C@@H]1C[C@@H](C(C)C)[C@H](CNC(=O)C2=CC=CC=C2)C=C1C
|
|
| MolPort-021-765-795 |
0.61 |
CC(NC(=O)C1=CC=C(CCC(C)(C)O)C=C1)C1=CCCCC1
|
|
| MolPort-044-860-063 |
0.61 |
O[C@@H]1CC(=C[C@@H](O)[C@H]1O)C(=O)NC1CCOC(C1)C1CC1
|
|
| MolPort-045-929-132 |
0.61 |
O=C(C1CC(=O)OC11CCCC1)N(CCC1=CCCCC1)CC1=CC=CC=C1
|
|
| MolPort-002-932-176 |
0.61 |
CC(NC(=O)C1=C(CCCC1)C(O)=O)C1=CC=CC=C1
|
|
| MolPort-002-528-402 |
0.61 |
C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(CN(CC4=CC=CC=C4)CC4=CC=CC=C4)[C@H]3C=C12
|
|
| MCULE-6856100731 |
0.61 |
O[C@H]1[C@H](O)[C@H](O)C=C(C(NC2CC3(CCCCC3)OCC2)=O)C1
|
|
| MCULE-6742087192 |
0.61 |
CC1(C2C(CCCO2)C1NC(C1C[C@@H](O)[C@H](O)[C@H](O)C=1)=O)C
|
|
| MCULE-1686042315 |
0.61 |
C(=O)(C1=CC=CC(CN(C)C)=C1)NC(C)C1CCCCC=1
|
|
| MCULE-3258165972 |
0.61 |
CC([C@@H]1C[C@H](C(=C[C@H]1CNC(=O)C1C=CC=CC=1)C)CC(=O)OCC)C
|
|
| MCULE-6921537168 |
0.61 |
C(=O)(C1=CC=C(C=C1)CCC(C)(C)O)NC(C)C1CCCCC=1
|
|
| MCULE-9843705644 |
0.61 |
O[C@H]1[C@H](O)[C@H](O)C=C(C(NC2CC(C3CC3)OCC2)=O)C1
|
|
| MCULE-9325952542 |
0.61 |
C1(CC(OC21CCCC2)=O)C(=O)N(CCC1CCCCC=1)CC1=CC=CC=C1
|
|
| MCULE-8410145436 |
0.61 |
C1(CCCCC=1C(O)=O)C(=O)NC(C)C1C=CC=CC=1
|
|
| MCULE-4698098629 |
0.61 |
C1(C(=O)NCC2=CC=CC=C2C)=C(C)C(OC21CCCCC2)=O
|
|
| MCULE-2775648566 |
0.61 |
N1(CCC2(CC1)CC(CCO2)CNC(C1=CC=CC=C1)=O)C(C1CC=CC1)=O
|
|
| MCULE-7050238196 |
0.61 |
FC(C1=C(C(NCC2CCOCC=2)=O)C=CC=C1)F
|
|
| MCULE-3542895053 |
0.61 |
C(=O)(C1C=CC(=CC=1)CN1CCCC1)NCC1CCCCC=1
|
|
| MCULE-9468031147 |
0.61 |
CC1=C(C(N[C@@H]2C=C[C@H](CO)C2)=O)C(C)=CC=C1
|
|
| MCULE-2397044335 |
0.61 |
O[C@H]1[C@H](O)[C@H](O)C=C(C(NC2CC3(CCC3)OCC2)=O)C1
|
|
| MCULE-2234909966 |
0.61 |
CC1=CC(O)=C(C(N2CC=C(C3(C(O)=O)CCOCC3)CC2)=O)C=C1
|
|
| MCULE-5144110847 |
0.61 |
OC(C1(C2CCN(C(C3=CC=C(Cl)C=C3)=O)CC=2)CCOCC1)=O
|
|
| MCULE-1962361914 |
0.61 |
C1(C(=O)NCC2=CC=CC(Cl)=C2)=C(C)C(OC21CCCCCC2)=O
|
|
| MCULE-3717405925 |
0.61 |
C1(C(=O)NCC2C=CC=CC=2F)=C(C)C(OC21CCCCCC2)=O
|
|
| MCULE-4926880849 |
0.61 |
C1(C(NCCCN(C(C)C)CC2=CC=CC=C2)=O)=C(C)C(OC21CCCCC2)=O
|
|
| MCULE-9587892103 |
0.61 |
CC1=CC=C(C2N(C(C3C[C@@H](O)[C@H](O)[C@H](O)C=3)=O)CCCC2)C=C1
|
|
| MCULE-1736075034 |
0.61 |
C1(C(NCCCN(CCCC)CC2=CC=CC=C2)=O)=C(C)C(OC21CCCCC2)=O
|
|
| MCULE-6150613020 |
0.61 |
C1(C(NCCCN(CC)CC2=CC=CC=C2)=O)=C(C)C(OC21CCCCC2)=O
|
|
| MCULE-2471851584 |
0.61 |
C1(C(NCCCN(C)CC2=CC=CC=C2)=O)=C(C)C(OC21CCCCC2)=O
|
|
| MCULE-8356859332 |
0.61 |
CC1=CC(C2N(C(C3C[C@@H](O)[C@H](O)[C@H](O)C=3)=O)CCC2)=CC=C1
|
|
| MCULE-3311399369 |
0.61 |
N1(CCC2(CC1)CC(CCO2)CNC(C1=CC=CC=C1)=O)C(C)=O
|
|
| MolPort-007-753-895 |
0.61 |
CC1=C(C(=O)NCC2=C(C)C=CC=C2)C2(CCCCC2)OC1=O
|
|
| MolPort-046-607-455 |
0.61 |
O=C(NCC1CCOC2(CCN(CC2)C(=O)C2CC=CC2)C1)C1=CC=CC=C1
|
|
| MolPort-030-064-852 |
0.61 |
O=C(NCC1=CCCCC1)C1=CC=C(CN2CCCC2)C=C1
|
|
| MolPort-028-780-219 |
0.61 |
CC1=CC=CC(C)=C1C(=O)N[C@H]1C[C@@H](CO)C=C1
|
|
| MolPort-044-872-220 |
0.61 |
O[C@@H]1CC(=C[C@@H](O)[C@H]1O)C(=O)NC1CCOC2(CCC2)C1
|
|
| MolPort-002-532-106 |
0.61 |
CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)C3CN1CCN(CC2=CC=CC=C2)CC1
|
|
| MolPort-046-639-702 |
0.61 |
OC(=O)C1(CCOCC1)C1=CCN(CC1)C(=O)C1=CC=C(Cl)C=C1
|
|
| MolPort-046-639-701 |
0.61 |
CC1=CC=C(C(=O)N2CCC(=CC2)C2(CCOCC2)C(O)=O)C(O)=C1
|
|
| MolPort-007-753-932 |
0.61 |
CC1=C(C(=O)NCC2=CC(Cl)=CC=C2)C2(CCCCCC2)OC1=O
|
|
| MolPort-007-753-980 |
0.61 |
CC1=C(C(=O)NCC2=C(F)C=CC=C2)C2(CCCCCC2)OC1=O
|
|
| MolPort-044-859-990 |
0.61 |
CC1=CC=C(C=C1)C1CCCCN1C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1
|
|
| MolPort-007-641-066 |
0.61 |
CC(C)N(CCCNC(=O)C1=C(C)C(=O)OC11CCCCC1)CC1=CC=CC=C1
|
|
| MolPort-007-641-052 |
0.61 |
CCN(CCCNC(=O)C1=C(C)C(=O)OC11CCCCC1)CC1=CC=CC=C1
|
|
| MolPort-007-641-046 |
0.61 |
CN(CCCNC(=O)C1=C(C)C(=O)OC11CCCCC1)CC1=CC=CC=C1
|
|
| MolPort-044-872-012 |
0.61 |
CC1=CC=CC(=C1)C1CCCN1C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1
|
|
| MolPort-046-607-423 |
0.60 |
CC(=O)N1CCC2(CC1)CC(CNC(=O)C1=CC=CC=C1)CCO2
|
|
| MolPort-046-758-610 |
0.60 |
CC1=C(CN2CC3CN(CC3(CO)C2)C(=O)C2=CC(O)=CC=C2)C(C)(C)CCC1
|
|
| MolPort-042-629-931 |
0.60 |
OC(=O)C1=C(C=CC=C1)C(=O)NCC1=CCCCC1
|
|
| MolPort-007-753-944 |
0.60 |
CC1=C(C(=O)NCC2=C(Br)C=CC=C2)C2(CCCCCC2)OC1=O
|
|
| MolPort-046-503-834 |
0.60 |
OCC1(CNC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)COCCN1CC1=CC=CC=C1
|
|
| MolPort-004-840-156 |
0.60 |
COC1N(CC2=CC=CC=C2)C(=O)C2=C1CCCC2
|
|
| MolPort-004-840-157 |
0.60 |
CC(C)OC1N(CC2=CC=CC=C2)C(=O)C2=C1CCCC2
|
|
| MolPort-044-302-686 |
0.60 |
O=C(C=CC1CCOCC1)N1CCC(CC1)NC(=O)C1=CC=CC=C1
|
|
| MolPort-038-408-394 |
0.60 |
CC1=CC=C(C=C1)C(=O)N[C@H]1[C@@H]2CCO[C@@H]2[C@@H]1C1CCCC1
|
|
| MolPort-007-641-019 |
0.60 |
CC1=C(C(=O)NC2CCN(CC3=CC=CC=C3)CC2)C2(CCCCC2)OC1=O
|
|
| MolPort-002-519-403 |
0.60 |
C[C@H](NCC1[C@H]2C=C3[C@@H](C)CCC[C@]3(C)C[C@H]2OC1=O)C1=CC=CC=C1
|
|
| MolPort-030-084-040 |
0.60 |
O=C(NCC1=CCCCC1)C1=CC=C(CN2CCOCC2)C=C1
|
|
| MolPort-028-954-072 |
0.60 |
OC(=O)C1=CC=C(C=C1)C(=O)NC1CCCC=C1
|
|
| MolPort-002-513-363 |
0.60 |
C[C@H](NCC1[C@@H]2[C@@H](CC3=CCCC(C)[C@@]3(C)C2O)OC1=O)C1=CC=CC=C1
|
|
| MolPort-007-927-310 |
0.60 |
CC1=C(C(=O)NCC2=CC=C(F)C=C2)C2(CCCCC2)OC1=O
|
|
| MolPort-046-599-101 |
0.60 |
O=C(NCC1CCOC2(CCN(CC2)C2CCCC2)C1)C1=CC=CC=C1
|
|
| MolPort-007-753-930 |
0.60 |
CC1=C(C(=O)NCC2=CC(F)=CC=C2)C2(CCCCCC2)OC1=O
|
|
| MCULE-3192978077 |
0.60 |
C1(C(=O)NCC2C=CC=CC=2Br)=C(C)C(OC21CCCCCC2)=O
|
|
| MCULE-8182711738 |
0.60 |
N1(CC2=CC=CC=C2)C(OC)C2=C(CCCC2)C1=O
|
|
| MCULE-3631986135 |
0.60 |
N1(CC2=CC=CC=C2)C(=O)C2=C(CCCC2)C1OC(C)C
|
|
| MCULE-3590813761 |
0.60 |
OCC1(N(CC2=CC=CC=C2)CCOC1)CNC(C1C[C@@H](O)[C@H](O)[C@H](O)C=1)=O
|
|
| MCULE-4423072504 |
0.60 |
OC(C1=CC=C(C(NC2C=CCCC2)=O)C=C1)=O
|
|
| MCULE-1911489643 |
0.60 |
[C@H]1(NC(=O)C2=CC=C(C=C2)C)[C@@H]2CCO[C@@H]2[C@@H]1C1CCCC1
|
|
| MCULE-3591564387 |
0.60 |
O=C(C1=CC=CC=C1)NC1CCN(C(C=CC2CCOCC2)=O)CC1
|
|
| MCULE-9542181589 |
0.60 |
C(=O)(C1C=CC(=CC=1)CN1CCOCC1)NCC1CCCCC=1
|
|
| MCULE-3997734835 |
0.60 |
C1(=C(C)C(OC21CCCCC2)=O)C(=O)NC1CCN(CC1)CC1C=CC=CC=1
|
|
| MCULE-4777877620 |
0.60 |
C1(C(=O)NCC2=CC=C(C=C2)F)=C(C)C(OC21CCCCC2)=O
|
|
| MCULE-1327644800 |
0.60 |
N1(C2CCCC2)CCC2(CC1)CC(CCO2)CNC(C1=CC=CC=C1)=O
|
|
| MCULE-4858911220 |
0.60 |
C1(C(=O)NCC2=CC=CC(F)=C2)=C(C)C(OC21CCCCCC2)=O
|
|
| MCULE-2658730359 |
0.60 |
N1(CCC(C2CCCCC12)OC(C1C=CC=CC=1)=O)C(C1=CC=CC=C1)=O
|
|
| MCULE-3027085826 |
0.60 |
CC1(C2OCCC2C1NC(C1=C(O)C2C=C(O)C=CC=2C=C1)=O)C
|
|
| MCULE-1182527934 |
0.60 |
N1(C(C)C2C=CC=CC=2)C(OC)C2=C(CCCC2)C1=O
|
|
| MCULE-1345459596 |
0.60 |
C=CC(NCC1=CC=C(C(NC2CCOCCC2)=O)C=C1)=O
|
|
| MCULE-4857202033 |
0.60 |
CCOC(C1CCCC1)CCNC(C1=CC=C(CN)C=C1)=O
|
|
| MCULE-1179538972 |
0.60 |
C1(C(=O)NCC2C=CC=CC=2F)=C(C)C(OC21CCCCC2)=O
|
|
| MCULE-1932388563 |
0.60 |
C1(C(=O)NCC2=CC=CC(Cl)=C2)=C(C)C(OC21CCCCC2)=O
|
|
| MCULE-8728062949 |
0.60 |
FC1=C(C(N2CCC(OC(CC3C=CCC3)=O)CC2)=O)C=CC=C1
|
|
| MCULE-6453612369 |
0.60 |
OC[C@H]1C=C[C@@H](NC(C2=CC3=C(C=C(C=C3)Br)C=C2)=O)C1
|
|
| MCULE-6912385719 |
0.60 |
C(=O)(C1=CC=CC2C=CC=CC1=2)N[C@H]1C[C@H]2[C@@H]1CCO2
|
|
