clean_smiles stringlengths 18 103 | id stringlengths 14 14 | value float64 -72.94 187 ⌀ | scaffold stringlengths 0 100 |
|---|---|---|---|
CN1C(=O)C(=O)N(CC(=O)N2CCC(NC(=O)[C@H]3CCC(=O)O3)C2)C1=O | CP002984561564 | -23.58 | O=C1CC[C@H](C(=O)NC2CCN(C(=O)CN3C(=O)NC(=O)C3=O)C2)O1 |
CC(=O)c1cnc(N2C3CCC2CN(C(=O)C2CN(C)C(=O)N2)C3)c(C)c1 | CP001475667834 | -21.41 | O=C1NCC(C(=O)N2CC3CCC(C2)N3c2ccccn2)N1 |
CN(c1cnc(F)cn1)C1CCN(C(=O)C2CCN(C3CCCCC3)C2)CC1 | CP000438777729 | -57.74 | O=C(C1CCN(C2CCCCC2)C1)N1CCC(Nc2cnccn2)CC1 |
Cc1ccc2cc(C(=O)N3CC4C(CNC(=O)c5cnco5)C4C3)cnc2c1 | CP001074208815 | -25.57 | O=C(NCC1C2CN(C(=O)c3cnc4ccccc4c3)CC12)c1cnco1 |
O=C(NC[C@H]1CCN(C(=O)CCn2cncn2)C1)c1cc2occc2s1 | CP003005367568 | -32.82 | O=C(NC[C@H]1CCN(C(=O)CCn2cncn2)C1)c1cc2occc2s1 |
CC(NC(=O)c1cn[nH]c1)C1CN(C(=O)CCc2ccsc2)C1 | CP003495385785 | -26.65 | O=C(NCC1CN(C(=O)CCc2ccsc2)C1)c1cn[nH]c1 |
COC(=O)C1(OC)CCN(C(=O)Nc2cc(F)ccc2OCC2CCCO2)C1 | CP000406138566 | -25.71 | O=C(Nc1ccccc1OCC1CCCO1)N1CCCC1 |
Cc1ccc(NC(=O)N2CCC[C@H]2CS(N)(=O)=O)c(OCC2CCCO2)c1 | CP000520044043 | -24.14 | O=C(Nc1ccccc1OCC1CCCO1)N1CCCC1 |
O=C(NC1CC2CCC1N(C(=O)CCCC1CC1)C2)c1ccn2ccnc2c1 | CP000646172200 | -21.83 | O=C(NC1CC2CCC1N(C(=O)CCCC1CC1)C2)c1ccn2ccnc2c1 |
CN(Cc1cccc(C(F)(F)F)c1)C(=O)C(=O)N1CCC2(CC1)CC(N)CO2 | CP000480811984 | -46.46 | O=C(NCc1ccccc1)C(=O)N1CCC2(CCCO2)CC1 |
CN(Cc1cccc(O)c1)C(=O)C(=O)N1CCC2(CC1)CC(N)CO2 | CP001575239225 | -44.15 | O=C(NCc1ccccc1)C(=O)N1CCC2(CCCO2)CC1 |
C[C@@H](NC(=O)C(=O)N1CCC2(CC1)CC(N)CO2)c1cccc(C#N)c1 | CP001517275294 | -43.48 | O=C(NCc1ccccc1)C(=O)N1CCC2(CCCO2)CC1 |
COC(=O)C1COC2(CCN(C(=O)C(=O)NCc3ccc(C)cc3F)CC2)C1 | CP000478167431 | -30.28 | O=C(NCc1ccccc1)C(=O)N1CCC2(CCCO2)CC1 |
Cc1ccc(CNC(=O)C(=O)N2CCC3(CCCO3)CC2)cc1F | CP002372240773 | -29.06 | O=C(NCc1ccccc1)C(=O)N1CCC2(CCCO2)CC1 |
Cc1ccc(C(C)NC(=O)C(=O)N2CCC3(CC2)CC(C(N)=O)CO3)cc1 | CP001287805353 | -27.06 | O=C(NCc1ccccc1)C(=O)N1CCC2(CCCO2)CC1 |
CC=CC(=O)N1CCCC(C2CCN(C(=O)C3CCC4(CCC4)O3)C2)C1 | CP002665243597 | -27.13 | O=C(C1CCC2(CCC2)O1)N1CCC(C2CCCNC2)C1 |
CC(NC(=O)C1CC12CCOC2)C1CN(Cc2ccnc(N(C)C)c2)C1 | CP002345418948 | -32.69 | O=C(NCC1CN(Cc2ccncc2)C1)C1CC12CCOC2 |
CC(C)C(=O)N1CCC(C(=O)NOCCN2CCCC2=O)CC1 | CP001530744943 | -21.71 | O=C(NOCCN1CCCC1=O)C1CCNCC1 |
O=C1CCC(N2CC[C@@H](NC(=O)c3cccnn3)C2)C(=O)N1 | CP003477075584 | -47.25 | O=C1CCC(N2CC[C@@H](NC(=O)c3cccnn3)C2)C(=O)N1 |
O=C(c1cnccn1)N1CC2(CCN(C(=O)C3CCCS3)C2)C1 | CP003507060239 | -24.44 | O=C(c1cnccn1)N1CC2(CCN(C(=O)C3CCCS3)C2)C1 |
CCc1nc(C)c(C(=O)NC2(CNC(=O)C3(C)COC(=O)OC3)CCCC2)o1 | CP000973990634 | -18.91 | O=C1OCC(C(=O)NCC2(NC(=O)c3cnco3)CCCC2)CO1 |
Cc1cc(C(=O)N2CCC(N(C)Cc3nc(C4CC4)no3)C2)nn1C(C)C | CP001373550754 | -26.25 | O=C(c1cc[nH]n1)N1CCC(NCc2nc(C3CC3)no2)C1 |
CN(Cc1nc(C2CC2)no1)C1CCN(C(=O)c2nn(C)cc2Cl)C1 | CP002408167887 | -24.35 | O=C(c1cc[nH]n1)N1CCC(NCc2nc(C3CC3)no2)C1 |
O=C(NCCCN(C(=O)C=Cc1ncc[nH]1)C1CC1)c1cnc(C2CC2)o1 | CP001971966618 | -53.11 | O=C(NCCCN(C(=O)C=Cc1ncc[nH]1)C1CC1)c1cnc(C2CC2)o1 |
C[C@@]12CN(C(=O)c3ccc(-c4cc[nH]n4)s3)C[C@]1(C)CN(C1CCNC1=O)C2 | CP000552888567 | -28.21 | O=C1NCCC1N1CC2CN(C(=O)c3ccc(-c4cc[nH]n4)s3)CC2C1 |
O=C1CC(CC(=O)N2C[C@@H]3CN(c4ncc(C(F)F)cn4)C[C@@H]3C2)CCCN1 | CP000471052269 | -23.24 | O=C1CC(CC(=O)N2C[C@@H]3CN(c4ncccn4)C[C@@H]3C2)CCCN1 |
CC1(CCNC(=O)N2CCN(C3CCOC3)CC2)CN(C(=O)OC(C)(C)C)C1 | CP000409292685 | -40.34 | O=C(NCCC1CNC1)N1CCN(C2CCOC2)CC1 |
CN(C)CC(=O)N1CC=CC(NC(=O)CCC2CC(C)(C)CO2)C1 | CP003330647502 | -42 | O=C(CCC1CCCO1)NC1C=CCNC1 |
C[C@@H](C(=O)N1CC=CC(NC(=O)CCC2CC(C)(C)CO2)C1)N(C)C | CP003125928195 | -39.06 | O=C(CCC1CCCO1)NC1C=CCNC1 |
CCN(CC)CC(F)C(=O)N1CC=CC(NC(=O)CCC2CC(C)(C)CO2)C1 | CP000752276836 | -33.78 | O=C(CCC1CCCO1)NC1C=CCNC1 |
CC(C)(C)CCCCC(=O)N1CC=CC(NC(=O)CCC2CCCO2)C1 | CP002604410097 | -31.99 | O=C(CCC1CCCO1)NC1C=CCNC1 |
CC(=CC(=O)N1CC=CC(NC(=O)CCC2CCCO2)C1)C(C)(C)C | CP003125601854 | -29.88 | O=C(CCC1CCCO1)NC1C=CCNC1 |
CCOC(=O)CC(=O)N1CC=CC(NC(=O)CCC2CC(C)(C)CO2)C1 | CP002604908580 | -29.38 | O=C(CCC1CCCO1)NC1C=CCNC1 |
COCC(C)C(=O)N1CC=CC(NC(=O)CCC2CCCO2)C1 | CP003512878986 | -29.28 | O=C(CCC1CCCO1)NC1C=CCNC1 |
CCSCC(=O)N1CC=CC(NC(=O)CCC2CC(C)(C)CO2)C1 | CP003330647517 | -29.21 | O=C(CCC1CCCO1)NC1C=CCNC1 |
COC(C)(C)C(=O)N1CC=CC(NC(=O)CCC2CCCO2)C1 | CP003512879072 | -27.6 | O=C(CCC1CCCO1)NC1C=CCNC1 |
CC(C)CCC(=O)N1CC=CC(NC(=O)CCC2CCC(C)O2)C1 | CP003330607710 | -26.85 | O=C(CCC1CCCO1)NC1C=CCNC1 |
CC(CC(=O)NC1C=CCN(C(=O)[C@@H](NC(N)=O)C(C)C)C1)C1CCCO1 | CP001865134295 | -23.32 | O=C(CCC1CCCO1)NC1C=CCNC1 |
CCCC(CCC)CC(=O)N1CC=CC(NC(=O)CCC2CCC(C)O2)C1 | CP001864886756 | -21.78 | O=C(CCC1CCCO1)NC1C=CCNC1 |
COCC(=O)N(C)CC(=O)N1CC=CC(NC(=O)CCC2CC(C)(C)CO2)C1 | CP000752276943 | -21.47 | O=C(CCC1CCCO1)NC1C=CCNC1 |
CC(C(=O)N1CC(CO)C2(C1)CN(C(=O)c1cn[nH]c(=O)c1)C2)=C1CCCC1 | CP000784501521 | -20.1 | O=C(C=C1CCCC1)N1CCC2(C1)CN(C(=O)c1cn[nH]c(=O)c1)C2 |
CC1(Cn2cc(C(=O)NCC(O)CNC(=O)Cc3cnoc3)nn2)COC1 | CP002098444310 | -24.37 | O=C(Cc1cnoc1)NCCCNC(=O)c1cn(CC2COC2)nn1 |
Cc1cc(CC(=O)NC2CC3CCC(C2)N3C(=O)CCc2ccsc2)on1 | CP002247108809 | null | O=C(Cc1ccno1)NC1CC2CCC(C1)N2C(=O)CCc1ccsc1 |
COc1c(C)nc(C2CC2)nc1N1CCC(C)(NC(=O)c2ccncn2)CC1 | CP000468589198 | -26.24 | O=C(NC1CCN(c2ccnc(C3CC3)n2)CC1)c1ccncn1 |
C=CCC1(NC(=O)c2ccnc(OC)n2)CCN(c2ccnc(C3CC3)n2)CC1 | CP000245498137 | -25.46 | O=C(NC1CCN(c2ccnc(C3CC3)n2)CC1)c1ccncn1 |
COc1ccc2c(c1)CCCC(NC(=O)NC1CCC(C)(N(C)C)CC1)C2 | CP000524735372 | -38.16 | O=C(NC1CCCCC1)NC1CCCc2ccccc2C1 |
COc1ccc2c(c1)CC(NC(=O)N[C@H]1CC[C@H](C)CC1)CCC2 | CP002365592499 | -30.02 | O=C(NC1CCCCC1)NC1CCCc2ccccc2C1 |
Cc1ccccc1OCCC(=O)NC1COC2(CC2)C1 | CP002484162763 | -28.88 | O=C(CCOc1ccccc1)NC1COC2(CC2)C1 |
Cc1cc(C(=O)NC(CNC(=O)c2ccccc2-c2ncn[nH]2)C2CC2)no1 | CP000992216046 | -27.83 | O=C(NC(CNC(=O)c1ccccc1-c1ncn[nH]1)C1CC1)c1ccon1 |
O=C(NCC1CN(C(=O)C2CCCO2)CCCO1)c1c(F)ccc2[nH]cnc12 | CP000632666498 | -27.63 | O=C(NCC1CN(C(=O)C2CCCO2)CCCO1)c1cccc2[nH]cnc12 |
O=C(NC[C@@H]1CCCN1C(=O)C=Cc1ccco1)c1ccc2c(c1)CCCC2 | CP000739315640 | -29.6 | O=C(NC[C@@H]1CCCN1C(=O)C=Cc1ccco1)c1ccc2c(c1)CCCC2 |
CC(C)(C)O[C@H]1C[C@@H](C(=O)NC(CNC(=O)[C@H]2CCCC(=O)N2)C2CC2)C1 | CP002239224371 | -19.48 | O=C1CCC[C@H](C(=O)NCC(NC(=O)C2CCC2)C2CC2)N1 |
CC(CNC(=O)C=Cc1ccsc1)CNC(=O)Cc1ccc2cccnc2c1 | CP001032025195 | -28.47 | O=C(C=Cc1ccsc1)NCCCNC(=O)Cc1ccc2cccnc2c1 |
CCCN(CCNC(=O)c1ccncc1C)C(=O)C1(Nc2ccccc2)CC1 | CP001068241490 | -25.12 | O=C(NCCNC(=O)C1(Nc2ccccc2)CC1)c1ccncc1 |
CC1C(=O)Nc2ccccc2CN1C(=O)CCc1cnn(C)n1 | CP001530523799 | -29.41 | O=C1CN(C(=O)CCc2cn[nH]n2)Cc2ccccc2N1 |
CC1CC(NC(=O)c2c[nH]c(=O)cn2)CN1C(=O)CC1CN(C)C1 | CP003374388281 | -44.55 | O=C(NC1CCN(C(=O)CC2CNC2)C1)c1c[nH]c(=O)cn1 |
Cc1cc(CC(=O)N2CC3CC2CCC3NC(=O)COc2ccccc2)n(C)n1 | CP000151182398 | -24.32 | O=C(COc1ccccc1)NC1CCC2CC1CN2C(=O)Cc1ccn[nH]1 |
Cn1cc(S(=O)(=O)NC2CCNCCC2(F)F)c(C2CCC2)n1 | CP001556638953 | -39.13 | O=S(=O)(NC1CCCNCC1)c1c[nH]nc1C1CCC1 |
Cn1cc(CC(=O)N2CCCC2CNC(=O)C2=CC3CCCCCC23)nn1 | CP002076701097 | null | O=C(NCC1CCCN1C(=O)Cc1c[nH]nn1)C1=CC2CCCCCC12 |
CC(CC1CCCC1)C(=O)NC[C@H]1C[C@H](NC(=O)c2n[nH]c(=O)[nH]c2=O)C1 | CP001832772773 | -13.15 | O=C(CCC1CCCC1)NC[C@H]1C[C@H](NC(=O)c2n[nH]c(=O)[nH]c2=O)C1 |
CC1(C)C=C(C(=O)N2CCC(F)(CNC(=O)c3ccc4cccnc4n3)CC2)C1 | CP000017307776 | -27.31 | O=C(NCC1CCN(C(=O)C2=CCC2)CC1)c1ccc2cccnc2n1 |
COc1ccnc(-c2cn(Cc3ncoc3CNC(=O)C(O)C3CC3)nn2)c1 | CP001113126351 | -31.92 | O=C(CC1CC1)NCc1ocnc1Cn1cc(-c2ccccn2)nn1 |
CC1(CC(=O)NCc2ocnc2Cn2cc(-c3cccc(F)n3)nn2)CC1 | CP001170487784 | -27.64 | O=C(CC1CC1)NCc1ocnc1Cn1cc(-c2ccccn2)nn1 |
C=CCC1(NC(=O)c2cn(C)nn2)CN(C(=O)CCc2cnn(C)c2)C1 | CP002595487159 | -26.89 | O=C(NC1CN(C(=O)CCc2cn[nH]c2)C1)c1c[nH]nn1 |
CCCc1c(C(=O)NC2(CO)CN(C(=O)CCc3cn[nH]c3)C2)nnn1CC | CP000847223130 | -24.41 | O=C(NC1CN(C(=O)CCc2cn[nH]c2)C1)c1c[nH]nn1 |
CCCn1cc(C(=O)NC2(CO)CN(C(=O)CCc3cnn(C)c3C)C2)nn1 | CP000845587341 | -24.02 | O=C(NC1CN(C(=O)CCc2cn[nH]c2)C1)c1c[nH]nn1 |
C[C@H](NC(=O)c1cc2n(n1)CCCO2)C1CN(c2nnc(C3CC3)o2)C1 | CP002222167445 | -23.99 | O=C(NCC1CN(c2nnc(C3CC3)o2)C1)c1cc2n(n1)CCCO2 |
CCOC(CC)C(=O)N1CCC[C@@H]1CCNC(=O)c1cn2nc(C)sc2n1 | CP001942455362 | -26.83 | O=C(NCC[C@H]1CCCN1)c1cn2ncsc2n1 |
O=C1CC[C@@H](C(=O)N2CC(NC(=O)c3ccc(=O)[nH]c3)CC3(CCC3)C2)N1 | CP001855632574 | -20.08 | O=C1CC[C@@H](C(=O)N2CC(NC(=O)c3ccc(=O)[nH]c3)CC3(CCC3)C2)N1 |
CN1CCCC1CCC(=O)NC1(CNC(=O)C2(C3CC3)CCC2)CCCCC1 | CP001186925145 | -41.2 | O=C(CCC1CCCN1)NC1(CNC(=O)C2(C3CC3)CCC2)CCCCC1 |
CCc1ccccc1C(=O)N1CCCC[C@H]1CNC(=O)CC1CSC1 | CP003099395757 | -29.94 | O=C(CC1CSC1)NC[C@@H]1CCCCN1C(=O)c1ccccc1 |
CCc1ccc(C(=O)N2CCCC[C@H]2CN(C)C(=O)CC2CSC2)cc1 | CP002803319112 | -28.68 | O=C(CC1CSC1)NC[C@@H]1CCCCN1C(=O)c1ccccc1 |
C=Cc1ccc(C(=O)N2CCCC[C@H]2CNC(=O)CC2CSC2)cc1 | CP003099417011 | -28.09 | O=C(CC1CSC1)NC[C@@H]1CCCCN1C(=O)c1ccccc1 |
CCc1ccc(C(=O)N2CCCC[C@H]2CN(C)C(=O)CC2CSC2)c(F)c1 | CP001618350375 | -27.82 | O=C(CC1CSC1)NC[C@@H]1CCCCN1C(=O)c1ccccc1 |
Cc1cccc(C(=O)N2CCCC[C@H]2CN(C)C(=O)CC2CSC2)c1 | CP003252001188 | -25.94 | O=C(CC1CSC1)NC[C@@H]1CCCCN1C(=O)c1ccccc1 |
Cc1ccc(F)c(C(=O)N2CCCC[C@H]2CN(C)C(=O)CC2CSC2)c1 | CP002803495018 | -25.22 | O=C(CC1CSC1)NC[C@@H]1CCCCN1C(=O)c1ccccc1 |
Cc1cc(C)c(C(=O)NCC2CCN2C(=O)Cn2nnc3ccccc32)c(=O)o1 | CP000142327806 | -26.44 | O=C(NCC1CCN1C(=O)Cn1nnc2ccccc21)c1cccoc1=O |
CCC(C(=O)N1C2CCC1CN(C(=O)c1c(C)ncn1C)C2)N1CCCC1=O | CP001096137270 | -18.4 | O=C1CCCN1CC(=O)N1C2CCC1CN(C(=O)c1cnc[nH]1)C2 |
Cc1nocc1C(=O)NC(C)C(=O)OCc1ccccc1 | CP002282419565 | -33.96 | O=C(CNC(=O)c1cnoc1)OCc1ccccc1 |
CC(C)(C)OC(=O)C1CC(NC(=O)C(=O)N2CCC3(CC2)CNC(=O)C3)C1 | CP001286980327 | -23.36 | O=C1CC2(CCN(C(=O)C(=O)NC3CCC3)CC2)CN1 |
CC(C)CCn1cc(C(=O)NCCOCCCNC(=O)C2=NNC(=O)C2)nn1 | CP000774364410 | -26.61 | O=C1CC(C(=O)NCCCOCCNC(=O)c2c[nH]nn2)=NN1 |
Cc1cnc(N2CCC(NC(=O)CN3C(=O)C(=O)N(C)C3=O)C2(C)C)nc1C | CP000447855253 | -25.07 | O=C(CN1C(=O)NC(=O)C1=O)NC1CCN(c2ncccn2)C1 |
CC(=O)N1CC(C(=O)NCCNC(=O)c2ccnc(-n3cccc3)c2)C1 | CP002811314590 | -26.56 | O=C(NCCNC(=O)C1CNC1)c1ccnc(-n2cccc2)c1 |
NC(=O)N1CC(O)CC1C(=O)N[C@H]1CC[C@H](NC(=O)CN2CCOCC2)CC1 | CP001025204062 | -17.85 | O=C(CN1CCOCC1)N[C@H]1CC[C@H](NC(=O)C2CCCN2)CC1 |
CCc1cc(N2CCCC23CCN(C(=O)C2CCCCNC2=O)C3)nc(CC)n1 | CP000281949807 | -32.33 | O=C1NCCCCC1C(=O)N1CCC2(CCCN2c2ccncn2)C1 |
O=C1NCCCCC1C(=O)N1CCC2(CCCN2c2ccnc(Cl)n2)C1 | CP002214856136 | -18.1 | O=C1NCCCCC1C(=O)N1CCC2(CCCN2c2ccncn2)C1 |
COC1(C(=O)Nc2sc(C)nc2C)CCS(=O)(=O)C1 | CP002854489200 | -17.12 | O=C(Nc1cncs1)C1CCS(=O)(=O)C1 |
O=C(N[C@@H]1CCN(Cc2nnc(-c3cccc(F)c3)o2)C1)C1(C(F)F)CCC1 | CP000543189005 | -26.71 | O=C(N[C@@H]1CCN(Cc2nnc(-c3ccccc3)o2)C1)C1CCC1 |
O=C(NC1(C(F)F)CC2(CCC2)C1)C1CCCc2ccnn21 | CP001678980234 | -24.03 | O=C(NC1CC2(CCC2)C1)C1CCCc2ccnn21 |
C=CCC1(C(=O)NCCC2(CNC(=O)c3cc(C)c(C)[nH]c3=O)CC2)CC=CC1 | CP000031193802 | -26.07 | O=C(NCC1(CCNC(=O)C2CC=CC2)CC1)c1ccc[nH]c1=O |
CC1(OCC(=O)N2CC(NC(=O)c3cnn4ccncc34)C2)CCCC1 | CP003003417112 | -26.41 | O=C(NC1CN(C(=O)COC2CCCC2)C1)c1cnn2ccncc12 |
COc1cccc(C(O)C(=O)N2CCC[C@H](NC(=O)c3c[nH]c(=O)n3C)C2)c1 | CP001139328627 | -27.25 | O=C(N[C@H]1CCCN(C(=O)Cc2ccccc2)C1)c1c[nH]c(=O)[nH]1 |
Cn1c(C(=O)N[C@H]2CCCN(C(=O)Cc3ccc(F)c(F)c3)C2)c[nH]c1=O | CP002123340023 | -21.76 | O=C(N[C@H]1CCCN(C(=O)Cc2ccccc2)C1)c1c[nH]c(=O)[nH]1 |
Cn1cc(C(=O)N[C@H]2CCCN(C(=O)Cc3ccc(C#N)cc3F)C2)n(C)c1=O | CP000369469732 | -19.81 | O=C(N[C@H]1CCCN(C(=O)Cc2ccccc2)C1)c1c[nH]c(=O)[nH]1 |
CCC1(CNC(=O)C(=O)N2CCN(CC3CCCO3)CC2)CCCCC1 | CP001512683809 | -48.38 | O=C(NCC1CCCCC1)C(=O)N1CCN(CC2CCCO2)CC1 |
CCn1ccc(C(=O)N2CC([C@H](C)NC(=O)c3cn4c(n3)COCC4)C2)cc1=O | CP000084307161 | -25.02 | O=C(NCC1CN(C(=O)c2cc[nH]c(=O)c2)C1)c1cn2c(n1)COCC2 |
CCCN(CCNC(=O)CCCc1ccccn1)C(=O)Cc1nccc(OC)n1 | CP000347158837 | -21.11 | O=C(CCCc1ccccn1)NCCNC(=O)Cc1ncccn1 |
CC(C)C(=O)NC1CN(C(=O)Cc2cn(C)nn2)CC2(CC2)C1 | CP003512302691 | -21.75 | O=C(Cc1c[nH]nn1)N1CCCC2(CC2)C1 |
CCC(F)C(=O)NC1C=CCN(c2nc3c(c(C#N)c2C#N)CCCCCC3)C1 | CP000249546751 | null | C1=CCN(c2ccc3c(n2)CCCCCC3)CC1 |
Cn1ccc(C(=O)NC2CCC3CN(C(=O)C4(C)COC4)CCC3C2)c1 | CP002600406803 | -24.98 | O=C(NC1CCC2CN(C(=O)C3COC3)CCC2C1)c1cc[nH]c1 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.