clean_smiles
stringlengths 18
103
| id
stringlengths 14
14
| value
float64 -72.94
187
⌀ | scaffold
stringlengths 0
100
|
|---|---|---|---|
C=CCC1(C(=O)NC[C@@H]2CCCN2C(=O)C(C)c2cccnc2)CCOCC1 | CP000666787059 | -24.5 | O=C(NC[C@@H]1CCCN1C(=O)Cc1cccnc1)C1CCOCC1 |
Cc1cncc(CC(=O)N2CC(C)(C)C[C@H]2CNC(=O)C2CCOC(C)C2)c1 | CP000605589296 | -21.81 | O=C(NC[C@@H]1CCCN1C(=O)Cc1cccnc1)C1CCOCC1 |
CC(C(=O)N1CCC[C@H]1CNC(=O)C1(CO)CCOCC1)c1cccnc1 | CP001646594442 | -19.22 | O=C(NC[C@@H]1CCCN1C(=O)Cc1cccnc1)C1CCOCC1 |
CCC(C)CC(=O)NC1CCN(C(=O)C2CCc3ccccc3N2)C12CCC2 | CP000604046511 | -25.15 | O=C(C1CCc2ccccc2N1)N1CCCC12CCC2 |
Cn1cnc(N2C3CCCC2CN(C(=O)C=CCO)C3)cc1=O | CP002905998248 | -22.27 | O=c1cc(N2C3CCCC2CNC3)nc[nH]1 |
CCC(NC(N)=O)C(=O)N1CC2CCCC(C1)N2c1cc(=O)n(C)cn1 | CP001913181785 | -20.7 | O=c1cc(N2C3CCCC2CNC3)nc[nH]1 |
Cc1cc(F)ccc1C(=O)N1CCN(CCCC2CCC2)C[C@H]1C | CP003135350145 | -33.94 | O=C(c1ccccc1)N1CCN(CCCC2CCC2)CC1 |
O=C(Cc1ccc2oc(=O)[nH]c2c1)NCC1CCCCC1c1ccccc1 | CP000530718663 | -25.21 | O=C(Cc1ccc2oc(=O)[nH]c2c1)NCC1CCCCC1c1ccccc1 |
CC(Cn1ccnc1)C(=O)N[C@H]1C[C@@H](CNC(=O)c2ccc3nccnc3n2)C1 | CP000110613668 | -38.7 | O=C(CCn1ccnc1)N[C@H]1C[C@@H](CNC(=O)c2ccc3nccnc3n2)C1 |
CN(CCCNC(=O)Cc1ccc2c(c1)COC2)C(=O)C1CCC2(CCC2)CC1 | CP000155024981 | -27.63 | O=C(Cc1ccc2c(c1)COC2)NCCCNC(=O)C1CCC2(CCC2)CC1 |
CC1C(=O)N(CCN(C)C)CN1C(=O)CCOc1cccc(Cl)c1 | CP001342460344 | -30.73 | O=C1CN(C(=O)CCOc2ccccc2)CN1 |
CC(C)c1ccccc1OCCC(=O)N1CN(CCN(C)C)C(=O)C1C | CP001045812335 | -24.78 | O=C1CN(C(=O)CCOc2ccccc2)CN1 |
CC(=Cc1ccc(F)cc1)C(=O)N1CCCC[C@@H]1CN(C)C(=O)C1CC12CC2 | CP000634470999 | -30.54 | O=C(NC[C@H]1CCCCN1C(=O)C=Cc1ccccc1)C1CC12CC2 |
C[C@@H](CCNC(=O)C1(C2CCCCC2)CC1)NC(=O)Cc1nc2ncccn2n1 | CP000051901276 | -25.22 | O=C(Cc1nc2ncccn2n1)NCCCNC(=O)C1(C2CCCCC2)CC1 |
C=CCC1(NC(=O)CC2(O)CCCN(C)C2)CCN(C(=O)C2CC=CCO2)C1 | CP000723807328 | -40.48 | O=C(CC1CCCNC1)NC1CCN(C(=O)C2CC=CCO2)C1 |
O=C(NCC1CC2(CO1)CN(C(=O)c1ncc[nH]1)C2)c1coc(CC2CC2)n1 | CP000789565465 | -24.36 | O=C(NCC1CC2(CO1)CN(C(=O)c1ncc[nH]1)C2)c1coc(CC2CC2)n1 |
CC(CN(C)C(=O)C1=NNC(=O)C1)NC(=O)C1CCC(C2CCCO2)O1 | CP002842515915 | -23.62 | O=C1CC(C(=O)NCCNC(=O)C2CCC(C3CCCO3)O2)=NN1 |
CC(C(=O)N1CC(CO)(NC(=O)CC(C)n2cccn2)C1)c1ccncc1 | CP001828018060 | -26.71 | O=C(CCn1cccn1)NC1CN(C(=O)Cc2ccncc2)C1 |
Cc1cc(CC(=O)N2CC(CO)(NC(=O)CCn3nc(C)cc3C)C2)ccn1 | CP000845923567 | -22.3 | O=C(CCn1cccn1)NC1CN(C(=O)Cc2ccncc2)C1 |
CC(C(=O)N1CC(NC(=O)CC(C(F)F)n2cccn2)C1)c1ccncc1 | CP002442603225 | -21.09 | O=C(CCn1cccn1)NC1CN(C(=O)Cc2ccncc2)C1 |
COC(=O)c1ccc(CC(=O)N2CC3CC2CN(C(=O)c2c[nH]c(C)c2)C3)cc1 | CP000058559314 | -28.41 | O=C(c1cc[nH]c1)N1CC2CC(C1)N(C(=O)Cc1ccccc1)C2 |
Cc1ncncc1C(=O)NC(CNC(=O)c1c(Cl)oc2ccccc12)C1CC1 | CP000990558448 | -31.24 | O=C(NC(CNC(=O)c1coc2ccccc12)C1CC1)c1cncnc1 |
CC(=O)c1ccc(N2CCC(N(C)C(=O)c3ccn(C(C)C)c(=O)c3)C2)nc1 | CP000510064127 | -30.02 | O=C(NC1CCN(c2ccccn2)C1)c1cc[nH]c(=O)c1 |
CCOC(=O)c1ccc(N2CCC(C)(NC(=O)c3cc(CC)[nH]c(=O)c3)C2)nc1 | CP000302513148 | -28.13 | O=C(NC1CCN(c2ccccn2)C1)c1cc[nH]c(=O)c1 |
CCn1ccc(C(=O)NC2(C)CCN(c3nc(C)c(C#N)cc3Cl)C2)cc1=O | CP000469414799 | -26.36 | O=C(NC1CCN(c2ccccn2)C1)c1cc[nH]c(=O)c1 |
CC(=O)c1ccc(N2CCC(C)(NC(=O)c3ccn(C(C)C)c(=O)c3)C2)nc1 | CP000469421141 | -25.69 | O=C(NC1CCN(c2ccccn2)C1)c1cc[nH]c(=O)c1 |
CC(=O)c1ccc(N2CC(NC(=O)c3ccn(C)c(=O)c3)CC2C)nc1 | CP002229190337 | -24.39 | O=C(NC1CCN(c2ccccn2)C1)c1cc[nH]c(=O)c1 |
CCCN(C(=O)c1ccn(C)c(=O)c1)C1CCN(c2ncccc2C(C)=O)C1 | CP000507120813 | -23.33 | O=C(NC1CCN(c2ccccn2)C1)c1cc[nH]c(=O)c1 |
C=CCC1(NC(=O)c2cc(CC)[nH]c(=O)c2)CCN(c2ccc(C(C)=O)cn2)C1 | CP000246361863 | -22.73 | O=C(NC1CCN(c2ccccn2)C1)c1cc[nH]c(=O)c1 |
CC1(C)CN(c2ccc(C#N)cn2)CC1NC(=O)c1ccn(O)c(=O)c1 | CP001921064801 | -22.24 | O=C(NC1CCN(c2ccccn2)C1)c1cc[nH]c(=O)c1 |
CCn1ccc(C(=O)NC2CCN(c3ncccc3F)C2)cc1=O | CP001321129266 | -20.33 | O=C(NC1CCN(c2ccccn2)C1)c1cc[nH]c(=O)c1 |
CCN(C(=O)c1cc[nH]c(=O)c1)C1CCN(c2ncccc2C(=O)OC)C1 | CP001479444931 | -19.65 | O=C(NC1CCN(c2ccccn2)C1)c1cc[nH]c(=O)c1 |
CN(Cc1ccc2c(c1)COC2)CC(O)CN(C)C(=O)c1cccc2nn[nH]c12 | CP000079669800 | -36.13 | O=C(NCCCNCc1ccc2c(c1)COC2)c1cccc2nn[nH]c12 |
COc1ccnc(CC(=O)N2CC(NC(=O)c3cc(-c4ccncc4)no3)C2)n1 | CP000379561229 | -29.22 | O=C(NC1CN(C(=O)Cc2ncccn2)C1)c1cc(-c2ccncc2)no1 |
O=C(CC1COCc2ccccc21)N1CCC(NC(=O)C23CC(CO2)C3)C1 | CP002315253845 | -28.31 | O=C(CC1COCc2ccccc21)N1CCC(NC(=O)C23CC(CO2)C3)C1 |
N#Cc1ccc(-c2nnc(CSCCN3CCOCC3)o2)cc1 | CP001427140992 | -42.18 | c1ccc(-c2nnc(CSCCN3CCOCC3)o2)cc1 |
Cc1ccc(-c2nnc(C(C)SCCN3CCOCC3)o2)cc1C | CP000005764378 | -35.59 | c1ccc(-c2nnc(CSCCN3CCOCC3)o2)cc1 |
Cc1ccc2cc(C(=O)N(C)C3CN(C(=O)CCn4cncn4)C3)ccc2c1 | CP000836172328 | -25.97 | O=C(NC1CN(C(=O)CCn2cncn2)C1)c1ccc2ccccc2c1 |
O=C(C1CC(c2ccc(C(F)(F)F)cc2)C1)N1CCCC(N2CCNCC2)C1 | CP000404965888 | -49.44 | O=C(C1CC(c2ccccc2)C1)N1CCCC(N2CCNCC2)C1 |
CC(C)n1ncc(C(=O)NC(CNC(=O)Cn2ccnn2)C2CC2)c1N | CP002962833821 | -25.21 | O=C(Cn1ccnn1)NCC(NC(=O)c1cn[nH]c1)C1CC1 |
CN(C(=O)c1cnn(CC(F)(F)F)c1)C(CNC(=O)Cn1ccnn1)C1CC1 | CP000776609327 | -20.62 | O=C(Cn1ccnn1)NCC(NC(=O)c1cn[nH]c1)C1CC1 |
O=C(Cn1cc(CO)nn1)NCC(NC(=O)c1cnn(CCF)c1)C1CC1 | CP002240311275 | -20.19 | O=C(Cn1ccnn1)NCC(NC(=O)c1cn[nH]c1)C1CC1 |
CC(C)c1nn(C)cc1C(=O)NC(CNC(=O)Cn1ccnn1)C1CC1 | CP002962833103 | -18.26 | O=C(Cn1ccnn1)NCC(NC(=O)c1cn[nH]c1)C1CC1 |
CC(C(=O)NCCCCCCNC(=O)c1cncc2nc[nH]c12)C1CC1 | CP002816775652 | -26.35 | O=C(CC1CC1)NCCCCCCNC(=O)c1cncc2nc[nH]c12 |
CCC(CNC(=O)Cc1nccc2ccccc12)NC(=O)C1CS(=O)(=O)C1 | CP002273336565 | -23.07 | O=C(Cc1nccc2ccccc12)NCCNC(=O)C1CS(=O)(=O)C1 |
N#Cc1ccccc1OCCn1ccc2cc(Cl)ccc2c1=O | CP001423109535 | -38.7 | O=c1c2ccccc2ccn1CCOc1ccccc1 |
COc1ccccc1OCCn1cc(Br)c2cc(F)ccc2c1=O | CP001910065634 | -30.42 | O=c1c2ccccc2ccn1CCOc1ccccc1 |
CN(C(=O)c1ccc(-c2nc[nH]n2)nc1)C1CN(C(=O)C23CCC(C)(C2)OC3)C1 | CP000183987150 | -29.01 | O=C(NC1CN(C(=O)C23CCC(C2)OC3)C1)c1ccc(-c2nc[nH]n2)nc1 |
CC1(C)C(NC(=O)CCc2ncc[nH]2)CCN1C(=O)CCCc1nccs1 | CP001658209642 | -41.77 | O=C(CCc1ncc[nH]1)NC1CCN(C(=O)CCCc2nccs2)C1 |
O=C(CN1C(=O)c2ccccc2C1=O)N1CC(Cn2cc(C(O)C3CC3)nn2)C1 | CP000327154858 | -29.37 | O=C(CN1C(=O)c2ccccc2C1=O)N1CC(Cn2cc(CC3CC3)nn2)C1 |
Cc1cc(C(=O)NC[C@@H](C)NC(=O)C(Cc2ccccc2)C2CC2)c(C)cn1 | CP000947484649 | -28.15 | O=C(NCCNC(=O)C(Cc1ccccc1)C1CC1)c1ccncc1 |
CC(CN(C)C(=O)c1ccnc(CO)c1)NC(=O)C(Cc1ccccc1)C1CC1 | CP000324313811 | -23.47 | O=C(NCCNC(=O)C(Cc1ccccc1)C1CC1)c1ccncc1 |
CN(CCN(C)C(=O)C(Cc1ccccc1)C1CC1)C(=O)c1ccncc1O | CP000693311994 | -20.98 | O=C(NCCNC(=O)C(Cc1ccccc1)C1CC1)c1ccncc1 |
CC(NC(=O)COc1ccon1)C1CCCN(C(=O)C2=CCCC2)C1 | CP003311164850 | -24.37 | O=C(COc1ccon1)NCC1CCCN(C(=O)C2=CCCC2)C1 |
C[C@@]12CN(C(=O)c3ccc(N)cn3)C[C@]1(C)CN(C(=O)c1cc(C(N)=O)no1)C2 | CP000097880895 | -28.45 | O=C(c1ccccn1)N1CC2CN(C(=O)c3ccno3)CC2C1 |
Cc1cnoc1C(=O)N1C[C@]2(C)CN(C(=O)c3ccc(N)cn3)C[C@]2(C)C1 | CP001830858826 | -26.84 | O=C(c1ccccn1)N1CC2CN(C(=O)c3ccno3)CC2C1 |
Cc1ccnc(C(=O)N2C[C@@]3(C)CN(C(=O)c4oncc4C)C[C@@]3(C)C2)c1 | CP001830858797 | -24.82 | O=C(c1ccccn1)N1CC2CN(C(=O)c3ccno3)CC2C1 |
Cc1cnoc1C(=O)N1C[C@]2(C)CN(C(=O)c3cc(C(N)=O)ccn3)C[C@]2(C)C1 | CP000097781277 | -23.62 | O=C(c1ccccn1)N1CC2CN(C(=O)c3ccno3)CC2C1 |
Cc1cc(C(=O)N2C[C@@]3(C)CN(C(=O)c4nccc(C)c4N)C[C@@]3(C)C2)on1 | CP001080081748 | -21.89 | O=C(c1ccccn1)N1CC2CN(C(=O)c3ccno3)CC2C1 |
C[C@@]12CN(C(=O)c3cc(O)no3)C[C@]1(C)CN(C(=O)c1ncccc1F)C2 | CP001830853739 | -16.74 | O=C(c1ccccn1)N1CC2CN(C(=O)c3ccno3)CC2C1 |
Cn1cc(OCC(=O)N2CC(CO)(NC(=O)c3nncn3C)C2)cn1 | CP003113160569 | -30.25 | O=C(NC1CN(C(=O)COc2cn[nH]c2)C1)c1nnc[nH]1 |
CC(NC(=O)CC1CCC(=O)N1C)C1(O)CCN(C(=O)CCC2CCC2)CC1 | CP000747504172 | -26.16 | O=C(CC1CCC(=O)N1)NCC1CCN(C(=O)CCC2CCC2)CC1 |
CCc1nc(NCCCCNC(=O)CCC2CC(OC)C2)c2ccsc2n1 | CP001366685340 | -23.41 | O=C(CCC1CCC1)NCCCCNc1ncnc2sccc12 |
Cc1cc(C)c(C(=O)NCC2CCN(C(=O)c3cn(C)nc3C3CCC3)C2)o1 | CP001244147782 | -24.6 | O=C(NCC1CCN(C(=O)c2c[nH]nc2C2CCC2)C1)c1ccco1 |
COC(=O)[C@@H]1C[C@H](n2cc(C3CCCC3)nn2)CN1C(=O)Cc1ncccc1C | CP000326735557 | -30.3 | O=C(Cc1ccccn1)N1CC[C@H](n2cc(C3CCCC3)nn2)C1 |
CC(CNC(=O)c1nn(C)c2c1COCC2)CNC(=O)c1cnn2ncccc12 | CP000230619094 | -25.66 | O=C(NCCCNC(=O)c1cnn2ncccc12)c1n[nH]c2c1COCC2 |
C[C@]1(CNC(=O)C2CC[C@@H]3C[C@@H]3CC2)CCCN1C(=O)CC1CCC(=O)NC1 | CP000764538713 | -22.48 | O=C1CCC(CC(=O)N2CCCC2CNC(=O)C2CC[C@@H]3C[C@@H]3CC2)CN1 |
CNc1ncc(C(=O)NCC2CC(C)N(C(=O)C3CC34CCOC(C)C4)C2)o1 | CP001079110691 | -23.04 | O=C(NCC1CCN(C(=O)C2CC23CCOCC3)C1)c1cnco1 |
CCCc1ncoc1C(=O)NC(C)C1CCN(C(=O)C2CC23CCOCC3)C1 | CP000903040089 | -22.1 | O=C(NCC1CCN(C(=O)C2CC23CCOCC3)C1)c1cnco1 |
CC(C)n1cc(CN2CCCC2CNC(=O)CN2CCS(=O)(=O)CC2)nn1 | CP001378251312 | -18.47 | O=C(CN1CCS(=O)(=O)CC1)NCC1CCCN1Cc1c[nH]nn1 |
CC1CCN(C(=O)[C@H]2CC2(F)F)CC1NC(=O)C1CCc2n[nH]c(=O)n2C1 | CP001984115451 | -19.72 | O=C(NC1CCCN(C(=O)C2CC2)C1)C1CCc2n[nH]c(=O)n2C1 |
CN(CC1CCCN1C(=O)CCc1ccon1)C(=O)Cn1cnc(C(N)=O)n1 | CP000734121818 | -26.89 | O=C(Cn1cncn1)NCC1CCCN1C(=O)CCc1ccon1 |
CC1CCC(NC(=O)C(F)n2cccn2)CN1C(=O)c1cccc2cnnn12 | CP000627761388 | -26.49 | O=C(Cn1cccn1)NC1CCCN(C(=O)c2cccc3cnnn23)C1 |
CCN(C(=O)[C@@H]1C[C@@H]2C[C@@H]2C1)C1CCN(C(=O)CCNc2oc(C)nc2C#N)C1 | CP000374110523 | -22.24 | O=C(NC1CCN(C(=O)CCNc2cnco2)C1)[C@@H]1C[C@@H]2C[C@@H]2C1 |
Cc1ccc2oc(NCC3CN(C(=O)C4CC45CCCC5)CC34COC4)nc2c1 | CP000292671341 | -23.91 | O=C(C1CC12CCCC2)N1CC(CNc2nc3ccccc3o2)C2(COC2)C1 |
CC1(C(=O)N2CC(O)(CCNC(=O)c3ncc(F)cc3F)C2)CCNC(=O)C1 | CP000997486589 | -22.46 | O=C1CC(C(=O)N2CC(CCNC(=O)c3ccccn3)C2)CCN1 |
CC1CN(C(=O)c2ccc3cccnn23)CC1CNC(=O)C12CCCC(CO1)C2 | CP000263955703 | -20.96 | O=C(c1ccc2cccnn12)N1CCC(CNC(=O)C23CCCC(CO2)C3)C1 |
CC(Cc1ccccc1)C(=O)N[C@H]1[C@@H]2CN(C(=O)[C@H]3CCCO3)C[C@@H]21 | CP003312340380 | -32.98 | O=C(CCc1ccccc1)N[C@H]1[C@@H]2CN(C(=O)[C@H]3CCCO3)C[C@@H]21 |
CC(C)CC(CNC(=O)CCC1CCCC1)NC(=O)c1ccc2nnnn2c1 | CP001039612322 | -22.2 | O=C(CCC1CCCC1)NCCNC(=O)c1ccc2nnnn2c1 |
Cn1ccnc1CC(=O)N1CC2CC(C1)N(C(=O)CC1CC(O)C13CCC3)C2 | CP000589577866 | -22.6 | O=C(Cc1ncc[nH]1)N1CC2CC(C1)N(C(=O)CC1CCC13CCC3)C2 |
CC(CNC(=O)c1n[nH]c2nc[nH]c(=O)c12)NC(=O)C1CCCC2(CCC2)C1 | CP001238768028 | -29.33 | O=C(NCCNC(=O)C1CCCC2(CCC2)C1)c1n[nH]c2nc[nH]c(=O)c12 |
CC(C)c1nnc(N2CCN(C(=O)c3ccc(N(C)C)c(F)c3)CC(O)C2)o1 | CP000445428052 | -26.2 | O=C(c1ccccc1)N1CCCN(c2nnco2)CC1 |
CCc1nnc(N2CCN(C(=O)c3cc(C)c(OC)c(C)c3)CC(C)(F)C2)o1 | CP000447101897 | -26.05 | O=C(c1ccccc1)N1CCCN(c2nnco2)CC1 |
CCc1nnc(N2CCN(C(=O)c3cccc(C)c3Cl)CC(C)(F)C2)o1 | CP002214545400 | -23.39 | O=C(c1ccccc1)N1CCCN(c2nnco2)CC1 |
O=C(c1cccc(CF)c1)N1CCN(c2nnc(C(F)F)o2)CC(O)C1 | CP002213265361 | -23.34 | O=C(c1ccccc1)N1CCCN(c2nnco2)CC1 |
CCc1nnc(N2CCN(C(=O)c3cc(F)ccc3Cl)CC(C)(F)C2)o1 | CP002214538375 | -23.11 | O=C(c1ccccc1)N1CCCN(c2nnco2)CC1 |
CC(C)(C)c1cccc(C(=O)N2CCN(c3nnco3)CC(O)C2)c1 | CP002457327833 | -22.58 | O=C(c1ccccc1)N1CCCN(c2nnco2)CC1 |
CCc1nnc(N2CCN(C(=O)c3cc(C)ccc3C)CC(O)C2)o1 | CP002457314296 | -22.42 | O=C(c1ccccc1)N1CCCN(c2nnco2)CC1 |
COc1ccc(C(=O)N2CCN(c3nnc(C(C)(C)C)o3)CC(O)C2)c(F)c1 | CP000445407666 | -22.01 | O=C(c1ccccc1)N1CCCN(c2nnco2)CC1 |
CCc1nnc(N2CCN(C(=O)c3cc(OC)c(C)c(OC)c3)CCC2C)o1 | CP000424888441 | -21.88 | O=C(c1ccccc1)N1CCCN(c2nnco2)CC1 |
Cc1ccc(C(=O)N2CCN(c3nnco3)CC(O)C2)c(F)c1 | CP002910265657 | -21.6 | O=C(c1ccccc1)N1CCCN(c2nnco2)CC1 |
Cc1ccc(C(=O)N2CCN(c3nnc(C(F)F)o3)CC(O)C2)cc1F | CP002213124185 | -21.42 | O=C(c1ccccc1)N1CCCN(c2nnco2)CC1 |
Cc1nnc(N2CCN(C(=O)c3c(F)cccc3F)CC(O)C2)o1 | CP002926113908 | -21.09 | O=C(c1ccccc1)N1CCCN(c2nnco2)CC1 |
COc1ccc(C(=O)N2CCC(C)N(c3nnc(C)o3)CC2)cc1 | CP002930424960 | -20.25 | O=C(c1ccccc1)N1CCCN(c2nnco2)CC1 |
CCC(C)(C)c1nnc(N2CCN(C(=O)c3cccc(F)c3)CC(C)(F)C2)o1 | CP000447072960 | -19.31 | O=C(c1ccccc1)N1CCCN(c2nnco2)CC1 |
CCc1nnc(N2CC(C)CN(C(=O)c3c(OC)cccc3OC)CC2C)o1 | CP000428903459 | null | O=C(c1ccccc1)N1CCCN(c2nnco2)CC1 |
CC1CN(C(=O)c2cc(F)ccc2Cl)CC(C)N(c2nnco2)C1 | CP002931649694 | null | O=C(c1ccccc1)N1CCCN(c2nnco2)CC1 |
CCN(CC)C(=O)CN1CC[C@H](NC(=O)c2cccc(C3CC3)c2)C1 | CP002413584581 | -34.9 | O=C(N[C@H]1CCNC1)c1cccc(C2CC2)c1 |
CN(C)CC(C)(C)C(=O)N1CC[C@H](NC(=O)c2cccc(C3CC3(F)F)c2)C1 | CP001149389549 | -29.96 | O=C(N[C@H]1CCNC1)c1cccc(C2CC2)c1 |
CCC(C)(CC)C(=O)N1CC[C@H](NC(=O)c2cccc(C3CC3)c2)C1 | CP003155208632 | -28.78 | O=C(N[C@H]1CCNC1)c1cccc(C2CC2)c1 |
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