Datasets:
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clean_smiles
stringlengths 18
103
| id
stringlengths 14
14
| value
float64 -72.94
187
⌀ | scaffold
stringlengths 0
100
|
|---|---|---|---|
CCc1cc(N2CCCCC(NC(=O)CCC3CC(F)(F)C3)C2)nc(CC)n1 | CP000510535657 | -34.46 | O=C(CCC1CCC1)NC1CCCCN(c2ccncn2)C1 |
CCc1cc(N2CCCCC(NC(=O)CCC3CC(F)(F)C3)C2)ncn1 | CP002052943021 | -24.88 | O=C(CCC1CCC1)NC1CCCCN(c2ccncn2)C1 |
COc1cnc(Cl)nc1N1CCCCC(NC(=O)C(C)CC2CCC2)C1 | CP002052931936 | -22.25 | O=C(CCC1CCC1)NC1CCCCN(c2ccncn2)C1 |
CCC1(C)C=C(C(=O)NCC2(NC(=O)c3ccc(F)o3)CCCC2)C1 | CP003163125551 | -23.79 | O=C(NCC1(NC(=O)c2ccco2)CCCC1)C1=CCC1 |
Cc1ccc(-c2cc(C(=O)NC3CN(C(=O)C4CCCC(C)CC4)C3)[nH]n2)o1 | CP001264276392 | -23.99 | O=C(NC1CN(C(=O)C2CCCCCC2)C1)c1cc(-c2ccco2)n[nH]1 |
CC1=NC(C(=O)N2CC3(CCCC(CNC(=O)c4ccc(C)o4)O3)C2)CS1 | CP002135483274 | -24.63 | O=C(NCC1CCCC2(CN(C(=O)C3CSC=N3)C2)O1)c1ccco1 |
CC1=NC(C(=O)N2CC3(CCCC(CNC(=O)c4cc(C)co4)O3)C2)CS1 | CP002135636659 | -24.36 | O=C(NCC1CCCC2(CN(C(=O)C3CSC=N3)C2)O1)c1ccco1 |
NC(=O)CCOc1ccccc1NC(=O)NC1CCCCCCCCC1 | CP000882011450 | null | O=C(Nc1ccccc1)NC1CCCCCCCCC1 |
CCC(=O)NC1CN(C(=O)C2CC3(CCCO3)C2)C2CCCCC12 | CP003344685279 | -17.81 | O=C(C1CC2(CCCO2)C1)N1CCC2CCCCC21 |
CCCOCC(=O)NCC12CCCCC1N(C(=O)C1CC3(CCCO3)C1)CC2 | CP000758556052 | -13.64 | O=C(C1CC2(CCCO2)C1)N1CCC2CCCCC21 |
CC(CC1CCN(C(=O)Cn2cnnc2)CC1)NC(=O)C1=CC2(CCOC2)C1 | CP000821760873 | -24.73 | O=C(NCCC1CCN(C(=O)Cn2cnnc2)CC1)C1=CC2(CCOC2)C1 |
Cc1nsc(C)c1C(=O)N1CC2CCCC1C2CNC(=O)C1CC2(CC2)C1 | CP001684110983 | -22.65 | O=C(NCC1C2CCCC1N(C(=O)c1cnsc1)C2)C1CC2(CC2)C1 |
Cc1ccccc1CC(C)C(=O)NCCCOCCNC(=O)[C@H]1CCCN1C | CP000774269150 | -39.4 | O=C(CCc1ccccc1)NCCCOCCNC(=O)[C@H]1CCCN1 |
CN(CC1COCCN1C(=O)C1CCc2cn[nH]c21)C(=O)Cc1cnco1 | CP001691610640 | -28.94 | O=C(Cc1cnco1)NCC1COCCN1C(=O)C1CCc2cn[nH]c21 |
Cc1cc(C(=O)NCc2csc(C(F)(F)F)c2)c2c(C)noc2n1 | CP001344046329 | -36.82 | O=C(NCc1ccsc1)c1ccnc2oncc12 |
Cc1ccncc1C(=O)N1CCC(NC(=O)CCc2ccc(N)nc2)CC1C | CP000868076373 | -47.83 | O=C(CCc1cccnc1)NC1CCN(C(=O)c2cccnc2)CC1 |
Nc1ncccc1C(=O)N1CCC(NC(=O)CCc2ccc(F)nc2)CC1 | CP001961518446 | -32.8 | O=C(CCc1cccnc1)NC1CCN(C(=O)c2cccnc2)CC1 |
CC(C)c1ccc(C(=O)N2CCC(C)(NC(=O)CCc3cccnc3)CC2)cn1 | CP000253977571 | -27.26 | O=C(CCc1cccnc1)NC1CCN(C(=O)c2cccnc2)CC1 |
CC1CN(C(=O)c2ccc(N)nc2)CCC1NC(=O)CCc1cncc(F)c1 | CP000802132631 | -24.4 | O=C(CCc1cccnc1)NC1CCN(C(=O)c2cccnc2)CC1 |
Cc1noc(C(=O)NC[C@@H]2CCCCN2C(=O)c2ccc(C)c(F)c2)n1 | CP002663606808 | -29.84 | O=C(NC[C@@H]1CCCCN1C(=O)c1ccccc1)c1ncno1 |
CCc1noc(C(=O)N(C)C[C@@H]2CCCCN2C(=O)c2cc(F)cc(F)c2)n1 | CP000559546547 | -28.53 | O=C(NC[C@@H]1CCCCN1C(=O)c1ccccc1)c1ncno1 |
O=C(CCCc1nccs1)NCC1(C2(O)CCC2)CC1 | CP002481584431 | -23.19 | O=C(CCCc1nccs1)NCC1(C2CCC2)CC1 |
Cc1n[nH]c(=O)c(C(=O)NC2CCN(C(=O)c3ccc4c(c3)CCC4)C2)c1C | CP001239988575 | -30.06 | O=C(NC1CCN(C(=O)c2ccc3c(c2)CCC3)C1)c1ccn[nH]c1=O |
CC(CNC(=O)c1ccc2c(c1)CC2)CN(C)C(=O)c1conc1C1CCCC1 | CP000186739785 | -32.9 | O=C(NCCCNC(=O)c1conc1C1CCCC1)c1ccc2c(c1)CC2 |
CC(CNC(=O)CCC1CCOC1)NC(=O)[C@@H]1CCC(=O)O1 | CP003486074468 | -18.83 | O=C(CCC1CCOC1)NCCNC(=O)[C@@H]1CCC(=O)O1 |
CC(C)N(CCN(C)C(=O)[C@@H]1CCC(=O)O1)C(=O)CCC1CCOC1 | CP003074437225 | -16.93 | O=C(CCC1CCOC1)NCCNC(=O)[C@@H]1CCC(=O)O1 |
Cc1nccc(-c2ccc(NC(=O)[C@H]3C[C@@H](O)CN3)cc2)n1 | CP002174201949 | -48.26 | O=C(Nc1ccc(-c2ccncn2)cc1)[C@H]1CCCN1 |
O=C(CCCCN1CCCCC1)N1CCC2(CCCN2C(=O)[C@@H]2CC2(F)F)C1 | CP000679037190 | -41.81 | O=C(CCCCN1CCCCC1)N1CCC2(CCCN2C(=O)C2CC2)C1 |
Cc1ncc(NC(=O)C23CC(NC(=O)OC(C)(C)C)(CO2)C3)s1 | CP001545169285 | -28.94 | O=C(Nc1cncs1)C12CC(CO1)C2 |
Cc1noc(C)c1C(=O)NCCCNC(=O)c1cncc2[nH]ccc12 | CP003259249556 | -27.71 | O=C(NCCCNC(=O)c1cncc2[nH]ccc12)c1cnoc1 |
Cc1noc(C(F)F)c1C(=O)NCC[C@H](C)NC(=O)c1cncc2[nH]ccc12 | CP000806332240 | -27.28 | O=C(NCCCNC(=O)c1cncc2[nH]ccc12)c1cnoc1 |
CC1(C(=O)NC[C@H]2CCN(C(=O)c3nnc(C(C)(C)C)[nH]3)C2)CCCOC1 | CP002444760990 | -28.87 | O=C(NC[C@H]1CCN(C(=O)c2nnc[nH]2)C1)C1CCCOC1 |
O=C(c1coc(C2CC2)n1)N1CC2CCC(C1)N2C(=O)C1COCCO1 | CP002943930640 | -22.14 | O=C(c1coc(C2CC2)n1)N1CC2CCC(C1)N2C(=O)C1COCCO1 |
CC(=Cc1cccc(Cl)c1)C(=O)N1CCN(c2nccc(C)n2)CC1 | CP001576660329 | -34.64 | O=C(C=Cc1ccccc1)N1CCN(c2ncccn2)CC1 |
COC(=O)c1cnc(N2CCN(C(=O)C=C(C)c3ccccc3OC)CC2)nc1 | CP000294292478 | -32.55 | O=C(C=Cc1ccccc1)N1CCN(c2ncccn2)CC1 |
CCC(=CC(=O)N1CCN(c2ncc(C)cn2)C(C)C1)c1ccc(C)cc1 | CP001447261731 | -31.17 | O=C(C=Cc1ccccc1)N1CCN(c2ncccn2)CC1 |
Cc1cc(C)nc(N2CCN(C(=O)C=Cc3cccc(F)c3)CC2CCO)n1 | CP000451681799 | -31.05 | O=C(C=Cc1ccccc1)N1CCN(c2ncccn2)CC1 |
CSc1ccnc(N2CCN(C(=O)C=Cc3cccc(F)c3)CC2C)n1 | CP002214312537 | -30.93 | O=C(C=Cc1ccccc1)N1CCN(c2ncccn2)CC1 |
Cc1cnc(N2CCN(C(=O)C=Cc3cccc(C)c3)CC2)nc1 | CP002376752659 | -30.63 | O=C(C=Cc1ccccc1)N1CCN(c2ncccn2)CC1 |
COc1ccc(C(C)=CC(=O)N2CCN(c3ncc(O)cn3)[C@@H](C(C)C)C2)cc1 | CP000279560581 | -30.24 | O=C(C=Cc1ccccc1)N1CCN(c2ncccn2)CC1 |
COc1cc(OC)nc(N2CCN(C(=O)C=C(C)c3ccccc3)CC2)n1 | CP001294809206 | -29.93 | O=C(C=Cc1ccccc1)N1CCN(c2ncccn2)CC1 |
CCOc1cccc(C=CC(=O)N2CCN(c3nccc(CC#N)n3)CC2)c1 | CP000481518330 | -28.84 | O=C(C=Cc1ccccc1)N1CCN(c2ncccn2)CC1 |
COc1ccc(C=CC(=O)N2CCN(c3ncc(C)c(C)n3)[C@@H](C)C2)cc1 | CP001368391397 | -28.58 | O=C(C=Cc1ccccc1)N1CCN(c2ncccn2)CC1 |
COc1ccnc(N2CCN(C(=O)C(C)=Cc3ccc(F)c(F)c3)C[C@@H]2C)n1 | CP000443155271 | -28.11 | O=C(C=Cc1ccccc1)N1CCN(c2ncccn2)CC1 |
CC(=CC(=O)N1CCN(c2nccc(C)n2)[C@@H](C(C)C)C1)c1ccccc1C | CP000443276786 | -27.92 | O=C(C=Cc1ccccc1)N1CCN(c2ncccn2)CC1 |
COc1ccc(C=CC(=O)N2CCN(c3nc(OC)cc(OC)n3)[C@@H](C)C2)cc1 | CP000279468248 | -27.86 | O=C(C=Cc1ccccc1)N1CCN(c2ncccn2)CC1 |
COc1ccnc(N2CCN(C(=O)C=C(C)c3ccccc3OC)CC2C)n1 | CP000446832445 | -26.82 | O=C(C=Cc1ccccc1)N1CCN(c2ncccn2)CC1 |
COc1ccc(C=CC(=O)N2CCN(c3ncc(C(C)(C)O)cn3)CC2)c(C)c1 | CP000294325576 | -25.86 | O=C(C=Cc1ccccc1)N1CCN(c2ncccn2)CC1 |
CC(=Cc1ccc(F)c(F)c1)C(=O)N1CCN(c2ncccn2)[C@@H](C)C1 | CP001933926903 | -25.71 | O=C(C=Cc1ccccc1)N1CCN(c2ncccn2)CC1 |
CC(=Cc1ccccc1Cl)C(=O)N1CCN(c2ncccn2)[C@@H](C(C)C)C1 | CP001368526332 | -25.3 | O=C(C=Cc1ccccc1)N1CCN(c2ncccn2)CC1 |
CCn1cnc(C(=O)NCC2(C(C)(C)C)CCN(C(=O)c3cnnn3C)C2)c1 | CP000664295272 | -29.02 | O=C(NCC1CCN(C(=O)c2cnn[nH]2)C1)c1c[nH]cn1 |
CC1CN(C(=O)C(C)C2CCOC2)CCC1CNC(=O)C1(O)CCC1 | CP002428491275 | -27.72 | O=C(NCC1CCN(C(=O)CC2CCOC2)CC1)C1CCC1 |
CC1CN(C(=O)C(C)C2CCOC2)CCC1CNC(=O)C1CCC1 | CP003139211552 | -27.41 | O=C(NCC1CCN(C(=O)CC2CCOC2)CC1)C1CCC1 |
CC(NC(=O)C1CC(F)(F)C1)C1(O)CCN(C(=O)CC2(O)CCOC2)CC1 | CP001860692077 | -24.5 | O=C(NCC1CCN(C(=O)CC2CCOC2)CC1)C1CCC1 |
C[C@H](NC(=O)[C@H]1C[C@@H](O)C1)C1CCN(C(=O)CC2COC(C)(C)C2)CC1 | CP002753382662 | -24.48 | O=C(NCC1CCN(C(=O)CC2CCOC2)CC1)C1CCC1 |
C=CC1(C(=O)NCC2(F)CCN(C(=O)C(OCC)C3CCOC3)CC2)CCC1 | CP000743198789 | -22.33 | O=C(NCC1CCN(C(=O)CC2CCOC2)CC1)C1CCC1 |
COC(C(=O)N1CCC([C@H](C)NC(=O)C2(C(N)=O)CCC2)CC1)C1CCOC1 | CP000933546956 | -21.96 | O=C(NCC1CCN(C(=O)CC2CCOC2)CC1)C1CCC1 |
CC(C)C1CC(C(=O)NC(C)(C)C2CCN(C(=O)CC3(O)CCOC3)CC2)C1 | CP000798266674 | -21.1 | O=C(NCC1CCN(C(=O)CC2CCOC2)CC1)C1CCC1 |
COC(C(=O)N1CCC([C@H](C)NC(=O)C2CC(F)(F)C2)CC1)C1CCOC1 | CP001638019259 | -19.8 | O=C(NCC1CCN(C(=O)CC2CCOC2)CC1)C1CCC1 |
CCC1(C(=O)N[C@@H](C)C2CCN(C(=O)CC3COC(C)(C)C3)CC2)CCC1 | CP001638412391 | -18.91 | O=C(NCC1CCN(C(=O)CC2CCOC2)CC1)C1CCC1 |
C[C@H](NC(=O)C1(CF)CCC1)C1CCN(C(=O)C(F)C2CCOC2)CC1 | CP002753109321 | -18.8 | O=C(NCC1CCN(C(=O)CC2CCOC2)CC1)C1CCC1 |
CC(C(=O)N1CCC(CN(C)C(=O)C2(C)CC(C)(C)C2)CC1)C1CCOC1 | CP002122031385 | -18.49 | O=C(NCC1CCN(C(=O)CC2CCOC2)CC1)C1CCC1 |
CCC1(C(=O)NCC2CCN(C(=O)C(OC)C3CCOC3)CC2C)CCC1 | CP001603122174 | -15.37 | O=C(NCC1CCN(C(=O)CC2CCOC2)CC1)C1CCC1 |
CC(C)c1ccoc1C(=O)NCC1CN(CCC2CC2)C1 | CP002559767687 | -52.5 | O=C(NCC1CN(CCC2CC2)C1)c1ccco1 |
Cc1coc(C(=O)NC(C)C2CN(CCC3CC3(Cl)Cl)C2)c1 | CP003478513066 | -38.58 | O=C(NCC1CN(CCC2CC2)C1)c1ccco1 |
CCCn1nnnc1CN1CCN(C(=O)C2CCN(C(=O)CC)C2)CC1 | CP001733747646 | -21.43 | O=C(C1CCNC1)N1CCN(Cc2nnn[nH]2)CC1 |
Cc1sccc1C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)C1CN(C)CCO1 | CP002503779699 | -35.4 | O=C(NC[C@@H]1CCCN1C(=O)C1CNCCO1)c1ccsc1 |
C[C@@H](C(=O)N1CC2(CNC(=O)C3CC4(CCOC4)C3)CC1CO2)N(C)C | CP002791660647 | -39.18 | O=C(NCC12CNC(CO1)C2)C1CC2(CCOC2)C1 |
CCCC(C)(O)C(=O)N1CC2(CNC(=O)C3CC4(CCOC4)C3)CC1CO2 | CP002133796713 | -21.3 | O=C(NCC12CNC(CO1)C2)C1CC2(CCOC2)C1 |
CC(CN(C)C(=O)CCCC1CCCC(=O)N1)NC(=O)CN1CCN(C)CC1 | CP001208253829 | -36.75 | O=C(CCCC1CCCC(=O)N1)NCCNC(=O)CN1CCNCC1 |
O=C(N1CC(O)(CNc2nccn3nnnc23)C1)C1(F)CCS(=O)(=O)C1 | CP002230313022 | -26.11 | O=C(C1CCS(=O)(=O)C1)N1CC(CNc2nccn3nnnc23)C1 |
O=C(Cc1cccc(N2CCCC2=O)c1)Nc1ccc(-n2cncn2)c(Cl)c1 | CP000383670374 | -31.01 | O=C(Cc1cccc(N2CCCC2=O)c1)Nc1ccc(-n2cncn2)cc1 |
CCC(C)(C)CC(=O)N1CCC[C@@H]1CCNC(=O)c1ccnc2[nH]ncc12 | CP001943033019 | -23.88 | O=C(NCC[C@H]1CCCN1)c1ccnc2[nH]ncc12 |
CC1CCC(CCC(=O)N2CCOCC2CN(C)C(=O)C2CCN(C)CC2)O1 | CP000585481325 | -30.61 | O=C(NCC1COCCN1C(=O)CCC1CCCO1)C1CCNCC1 |
CN(CCOCCNC(=O)c1sccc1Cl)c1n[nH]c(=O)s1 | CP003471978012 | -25.26 | O=C(NCCOCCNc1n[nH]c(=O)s1)c1cccs1 |
C[C@H](NC(=O)C1CCCc2ccnn21)C1CN(C(=O)c2cnn3ccccc23)C1 | CP000084939293 | -26.21 | O=C(NCC1CN(C(=O)c2cnn3ccccc23)C1)C1CCCc2ccnn21 |
Cc1ccc(OCC(=O)NC2CN(C(=O)CCCCN3CCCC3)C2)cc1 | CP002440040288 | -38.85 | O=C(COc1ccccc1)NC1CN(C(=O)CCCCN2CCCC2)C1 |
Cc1cc(C(=O)N2CCN(C)CC2CNC(=O)CC2CCC=CCC2)on1 | CP001687221232 | -28.78 | O=C(CC1CCC=CCC1)NCC1CNCCN1C(=O)c1ccno1 |
C=C1CC1C(=O)NC1C2CCCN(C(=O)CC(C)n3cccn3)C2C1(C)C | CP001612559330 | null | C=C1CC1C(=O)NC1CC2C1CCCN2C(=O)CCn1cccn1 |
O=C(c1csc(=O)[nH]1)N1CCC[C@H](Nc2ccnc(C3CC3)n2)C1 | CP002383004559 | -25.56 | O=C(c1csc(=O)[nH]1)N1CCC[C@H](Nc2ccnc(C3CC3)n2)C1 |
Cc1ncc(C(=O)N2CCCC2C2CCCCN2C(=O)CN2CCC2)cc1N | CP001130175562 | null | O=C(CN1CCC1)N1CCCCC1C1CCCN1C(=O)c1cccnc1 |
Cn1ncc2c(=O)[nH]c(N3CCC[C@@H]3CNC(=O)C34CCCC(CO3)C4)nc21 | CP000452854826 | -28.75 | O=C(NC[C@H]1CCCN1c1nc2[nH]ncc2c(=O)[nH]1)C12CCCC(CO1)C2 |
O=C1CC(C(=O)N2C[C@H]3CN(C(=O)c4cnns4)C[C@H]3C2)(c2ccccc2)C1 | CP000908333700 | -24.33 | O=C1CC(C(=O)N2C[C@H]3CN(C(=O)c4cnns4)C[C@H]3C2)(c2ccccc2)C1 |
CC(C)(C)N1CCC(NC(=O)C(=O)NCCN2CCCNCC2)C1=O | CP001575015041 | -45.84 | O=C(NCCN1CCCNCC1)C(=O)NC1CCNC1=O |
CC1=C(C(=O)N2CCCC(CNC(=O)Cn3cccnc3=O)CC2)CCC1 | CP001776243408 | -22.95 | O=C(Cn1cccnc1=O)NCC1CCCN(C(=O)C2=CCCC2)CC1 |
O=C(NCC1CCN(C(=O)c2cncc(F)n2)CC1)c1ccc2c(c1)CCO2 | CP001011582516 | -29.35 | O=C(NCC1CCN(C(=O)c2cnccn2)CC1)c1ccc2c(c1)CCO2 |
Cc1cnc(C(=O)N2CCC([C@H](C)NC(=O)c3ccc4c(c3)CCO4)CC2)cn1 | CP000210025688 | -27.3 | O=C(NCC1CCN(C(=O)c2cnccn2)CC1)c1ccc2c(c1)CCO2 |
O=C(NCCCN1CCCC1)C1CC2(CCOCC2)CN1 | CP002543652789 | -39.75 | O=C(NCCCN1CCCC1)C1CC2(CCOCC2)CN1 |
O=C(CC1COc2ccccc2O1)NC1CCC2CC1CN2C(=O)c1ccoc1 | CP000151348864 | -25.31 | O=C(CC1COc2ccccc2O1)NC1CCC2CC1CN2C(=O)c1ccoc1 |
O=C(NCC1CN(C(=O)Cc2cnco2)CCO1)c1cnc2c(F)cccn12 | CP001035334602 | -28.2 | O=C(NCC1CN(C(=O)Cc2cnco2)CCO1)c1cnc2ccccn12 |
CCn1cccc1C(=O)N1CC(NC(=O)CCOc2cccnc2)C(C)(C)C1 | CP000571850139 | -26.45 | O=C(CCOc1cccnc1)NC1CCN(C(=O)c2ccc[nH]2)C1 |
CCCc1ccc(C(=O)N2CCC(NC(=O)CCOc3cccnc3)C2)[nH]1 | CP002315024330 | -25.89 | O=C(CCOc1cccnc1)NC1CCN(C(=O)c2ccc[nH]2)C1 |
O=C(CC1CCC(F)(F)C1)NCC1(Nc2ncccn2)CC1 | CP003471271437 | -26.03 | O=C(CC1CCCC1)NCC1(Nc2ncccn2)CC1 |
Cc1cnc(NC2(CNC(=O)CC3CCC(F)(F)C3)CC2)nc1C | CP002917486981 | -24.96 | O=C(CC1CCCC1)NCC1(Nc2ncccn2)CC1 |
CCOC(C(=O)NCC1(Nc2nc(C)cc(C(=O)NC)n2)CC1)C1CCCC1 | CP000466973066 | -24.17 | O=C(CC1CCCC1)NCC1(Nc2ncccn2)CC1 |
COCCOc1ccnc(NC2(CNC(=O)CC3(C)CCCC3)CC2)n1 | CP002061007650 | -23.86 | O=C(CC1CCCC1)NCC1(Nc2ncccn2)CC1 |
Cc1cnc(NC2(CNC(=O)C(C)(C)C3CCCC3)CC2)nc1S(C)(=O)=O | CP001433004367 | -20.57 | O=C(CC1CCCC1)NCC1(Nc2ncccn2)CC1 |
C[C@@]12CN(C(=O)Cn3cnnc3)C[C@]1(C)CN(C(=O)[C@H]1C[C@H](n3ccnn3)C1)C2 | CP000097905472 | -21.38 | O=C(Cn1cnnc1)N1CC2CN(C(=O)[C@H]3C[C@H](n4ccnn4)C3)CC2C1 |
Cc1cncc(CC(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2CCOC(C)(C)C2)c1 | CP000670421050 | -27.4 | O=C(NC[C@@H]1CCCN1C(=O)Cc1cccnc1)C1CCOCC1 |
Cc1ccncc1CC(=O)N1CCC[C@H]1CNC(=O)C1(F)CCOCC1 | CP002578967553 | -26.57 | O=C(NC[C@@H]1CCCN1C(=O)Cc1cccnc1)C1CCOCC1 |
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