SMILES stringlengths 5 1.55k | Deep SMILES stringlengths 5 1.68k | SELFIES stringlengths 13 4.9k | SAFE stringlengths 8 2.2k | Group SELFIES stringlengths 3 5.76k |
|---|---|---|---|---|
NC(=S)c1ccc(F)c(COc2cc(F)cc(F)c2)c1 | NC=S)ccccF)cCOcccF)ccF)c6))))))))c6 | [N][C][=Branch1][C][=S][C][=C][C][=C][Branch1][C][F][C][Branch1][P][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][=C][Ring1][P] | NC(=S)c1ccc(F)c5c1.c14cc(F)cc(F)c1.C35.O34 | [N][C][=Branch][=S][pop][C][=C][C][=C][Branch][F][pop][C][Branch][C][O][C][=C][C][Branch][F][pop][=C][C][Branch][F][pop][=C][Ring1][O][pop][=C][Ring2][Ring1][Ring2] |
NC(=S)CCOc1cc(F)cc(F)c1 | NC=S)CCOcccF)ccF)c6 | [N][C][=Branch1][C][=S][C][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2] | c13cc(F)cc(F)c1.NC(=S)CC2.O23 | [N][C][=Branch][=S][pop][C][C][O][C][=C][C][Branch][F][pop][=C][C][Branch][F][pop][=C][Ring1][O] |
NC(=S)c1ccc(COc2cc(F)cc(F)c2)c(F)c1 | NC=S)ccccCOcccF)ccF)c6))))))))cF)c6 | [N][C][=Branch1][C][=S][C][=C][C][=C][Branch1][P][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][Branch1][C][F][=C][Ring1][P] | NC(=S)c1ccc5c(F)c1.c14cc(F)cc(F)c1.C35.O34 | [N][C][=Branch][=S][pop][C][=C][C][=C][Branch][C][O][C][=C][C][Branch][F][pop][=C][C][Branch][F][pop][=C][Ring1][O][pop][C][Branch][F][pop][=C][Ring2][Ring1][Ring2] |
CNC(C)c1ccccc1Oc1cc(F)cc(F)c1 | CNCC)cccccc6OcccF)ccF)c6 | [C][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2] | c13cc(F)cc(F)c1.c15ccccc12.C45C.CN4.O23 | [C][N][C][Branch][C][pop][C][=C][C][=C][C][=C][Branch][O][C][=C][C][Branch][F][pop][=C][C][Branch][F][pop][=C][Ring1][O][pop][Ring1][=Branch] |
CCNC(C)c1ccccc1Oc1cc(F)cc(F)c1 | CCNCC)cccccc6OcccF)ccF)c6 | [C][C][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2] | c13cc(F)cc(F)c1.c16ccccc12.C56C.CC4.N45.O23 | [C][C][N][C][Branch][C][pop][C][=C][C][=C][C][=C][Branch][O][C][=C][C][Branch][F][pop][=C][C][Branch][F][pop][=C][Ring1][O][pop][Ring1][=Branch] |
O=Cc1c(Cl)cccc1Oc1cc(F)cc(F)c1 | O=CccCl)cccc6OcccF)ccF)c6 | [O][=C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2] | O=Cc1c2cccc1Cl.c13cc(F)cc(F)c1.O23 | [O][=C][C][=C][Branch][Cl][pop][C][=C][C][=C][Branch][O][C][=C][C][Branch][F][pop][=C][C][Branch][F][pop][=C][Ring1][O][pop][Ring1][#Branch] |
O=C(CCCOc1cc(F)cc(F)c1)c1ccccc1 | O=CCCCOcccF)ccF)c6))))))))))cccccc6 | [O][=C][Branch2][Ring1][Ring1][C][C][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | c13cc(F)cc(F)c1.O=C4CCC2.c14ccccc1.O23 | [O][=C][Branch][C][C][C][O][C][=C][C][Branch][F][pop][=C][C][Branch][F][pop][=C][Ring1][O][pop][C][=C][C][=C][C][=C][Ring1][=Branch] |
O=C(CCOc1cc(F)cc(F)c1)c1ccc(F)cc1 | O=CCCOcccF)ccF)c6)))))))))ccccF)cc6 | [O][=C][Branch2][Ring1][C][C][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c13cc(F)cc(F)c1.c14ccc(F)cc1.O=C4CC2.O23 | [O][=C][Branch][C][C][O][C][=C][C][Branch][F][pop][=C][C][Branch][F][pop][=C][Ring1][O][pop][C][=C][C][=C][Branch][F][pop][C][=C][Ring1][#Branch] |
O=C(CCCOc1cc(F)cc(F)c1)c1ccc(F)cc1 | O=CCCCOcccF)ccF)c6))))))))))ccccF)cc6 | [O][=C][Branch2][Ring1][Ring1][C][C][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c13cc(F)cc(F)c1.c14ccc(F)cc1.O=C4CCC2.O23 | [O][=C][Branch][C][C][C][O][C][=C][C][Branch][F][pop][=C][C][Branch][F][pop][=C][Ring1][O][pop][C][=C][C][=C][Branch][F][pop][C][=C][Ring1][#Branch] |
COc1ccc(C(=O)COc2cc(F)cc(F)c2)cc1F | COccccC=O)COcccF)ccF)c6)))))))))cc6F | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][=C][Ring2][Ring1][C][F] | c14ccc6cc1F.c15cc(F)cc(F)c1.C6(=O)C3.CO4.O35 | [C][O][C][=C][C][=C][Branch][C][=Branch][=O][pop][C][O][C][=C][C][Branch][F][pop][=C][C][Branch][F][pop][=C][Ring1][O][pop][C][=C][Branch][F][pop][Ring2][Ring1][Branch] |
O=C(COc1cc(F)cc(F)c1)c1ccc(F)cc1F | O=CCOcccF)ccF)c6))))))))ccccF)cc6F | [O][=C][Branch1][P][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] | c13cc(F)cc(F)c1.c14ccc(F)cc1F.O=C4C2.O23 | [O][=C][Branch][C][O][C][=C][C][Branch][F][pop][=C][C][Branch][F][pop][=C][Ring1][O][pop][C][=C][C][=C][Branch][F][pop][C][=C][Branch][F][pop][Ring1][#Branch] |
O=C(COc1cc(F)cc(F)c1)c1cc(Cl)sc1Cl | O=CCOcccF)ccF)c6))))))))cccCl)sc5Cl | [O][=C][Branch1][P][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][C][=C][Branch1][C][Cl][S][C][=Ring1][=Branch1][Cl] | c13cc(F)cc(F)c1.c14cc(Cl)sc1Cl.O=C4C2.O23 | [O][=C][Branch][C][O][C][=C][C][Branch][F][pop][=C][C][Branch][F][pop][=C][Ring1][O][pop][C][C][=C][Branch][Cl][pop][S][C][Branch][Cl][pop][=Ring1][=Branch] |
CNCc1c(Cl)cccc1Oc1cc(F)cc(F)c1 | CNCccCl)cccc6OcccF)ccF)c6 | [C][N][C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2] | c15c2cccc1Cl.c13cc(F)cc(F)c1.CN4.C45.O23 | [C][N][C][C][=C][Branch][Cl][pop][C][=C][C][=C][Branch][O][C][=C][C][Branch][F][pop][=C][C][Branch][F][pop][=C][Ring1][O][pop][Ring1][#Branch] |
CNCc1ccccc1Oc1cc(F)cc(F)c1 | CNCcccccc6OcccF)ccF)c6 | [C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2] | c13cc(F)cc(F)c1.c15ccccc12.CN4.C45.O23 | [C][N][C][C][=C][C][=C][C][=C][Branch][O][C][=C][C][Branch][F][pop][=C][C][Branch][F][pop][=C][Ring1][O][pop][Ring1][=Branch] |
CCCNCc1ccccc1Oc1cc(F)cc(F)c1 | CCCNCcccccc6OcccF)ccF)c6 | [C][C][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2] | c13cc(F)cc(F)c1.c16ccccc12.CCC4.N45.C56.O23 | [C][C][C][N][C][C][=C][C][=C][C][=C][Branch][O][C][=C][C][Branch][F][pop][=C][C][Branch][F][pop][=C][Ring1][O][pop][Ring1][=Branch] |
COC(=O)c1ccc(Oc2cc(F)cc(F)c2)c(N)c1 | COC=O)ccccOcccF)ccF)c6)))))))cN)c6 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][Branch1][C][N][=C][Ring1][S] | c16ccc4c(N)c1.c15cc(F)cc(F)c1.C36=O.CO3.O45 | [C][O][C][=Branch][=O][pop][C][=C][C][=C][Branch][O][C][=C][C][Branch][F][pop][=C][C][Branch][F][pop][=C][Ring1][O][pop][C][Branch][N][pop][=C][Ring2][Ring1][Ring1] |
CCOC(=O)c1ccc(Oc2cc(F)cc(F)c2)c(N)c1 | CCOC=O)ccccOcccF)ccF)c6)))))))cN)c6 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][Branch1][C][N][=C][Ring1][S] | c17ccc5c(N)c1.c16cc(F)cc(F)c1.C37=O.CC4.O34.O56 | [C][C][O][C][=Branch][=O][pop][C][=C][C][=C][Branch][O][C][=C][C][Branch][F][pop][=C][C][Branch][F][pop][=C][Ring1][O][pop][C][Branch][N][pop][=C][Ring2][Ring1][Ring1] |
COC(=O)c1cc(Oc2cc(F)cc(F)c2)ccc1N | COC=O)cccOcccF)ccF)c6)))))))ccc6N | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][S][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][=C][C][=C][Ring1][#C][N] | c16cc4ccc1N.c15cc(F)cc(F)c1.C36=O.CO3.O45 | [C][O][C][=Branch][=O][pop][C][=C][C][Branch][O][C][=C][C][Branch][F][pop][=C][C][Branch][F][pop][=C][Ring1][O][pop][=C][C][=C][Branch][N][pop][Ring2][Ring1][C] |
OB(O)c1ccc(OCCOc2cc(F)cc(F)c2)cc1 | OBO)ccccOCCOcccF)ccF)c6))))))))))cc6 | [O][B][Branch1][C][O][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][=C][Ring2][Ring1][C] | OB(O)c1ccc5cc1.c16cc(F)cc(F)c1.C3C4.O35.O46 | [O][B][Branch][O][pop][C][=C][C][=C][Branch][O][C][C][O][C][=C][C][Branch][F][pop][=C][C][Branch][F][pop][=C][Ring1][O][pop][C][=C][Ring2][Ring1][Branch] |
COc1ccc(C)cc1C(O)COc1cc(F)cc(F)c1 | COccccC)cc6CO)COcccF)ccF)c6 | [C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Branch1][C][O][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2] | c13ccc(C)cc15.c14cc(F)cc(F)c1.C5(O)C2.CO3.O24 | [C][O][C][=C][C][=C][Branch][C][pop][C][=C][Branch][C][Branch][O][pop][C][O][C][=C][C][Branch][F][pop][=C][C][Branch][F][pop][=C][Ring1][O][pop][Ring1][#Branch] |
OC1CCC2(CC1Oc1cc(F)cc(F)c1)OCCO2 | OCCCCCC6OcccF)ccF)c6)))))))))OCCO5 | [O][C][C][C][C][Branch2][Ring1][Ring2][C][C][Ring1][=Branch1][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][O][C][C][O][Ring1][S] | OC1CCC2(CC13)OCCO2.c14cc(F)cc(F)c1.O34 | [O][C][C][C][C][Branch][C][C][Branch][O][C][=C][C][Branch][F][pop][=C][C][Branch][F][pop][=C][Ring1][O][pop][Ring1][=Branch][pop][O][C][C][O][Ring2][Ring1][Ring1] |
Cc1ccc(C(O)C(C)Oc2cc(F)cc(F)c2)cc1 | CccccCO)CC)OcccF)ccF)c6)))))))))cc6 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][C][Branch1][C][O][C][Branch1][C][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][=C][Ring2][Ring1][Ring1] | c14cc(F)cc(F)c1.Cc1ccc5cc1.C5(O)C3C.O34 | [C][C][=C][C][=C][Branch][C][Branch][O][pop][C][Branch][C][pop][O][C][=C][C][Branch][F][pop][=C][C][Branch][F][pop][=C][Ring1][O][pop][C][=C][Ring2][Ring1][=Branch] |
CC(C#N)(CCCCOc1cc(F)cc(F)c1)NC1CC1 | CCC#N))CCCCOcccF)ccF)c6)))))))))))NCCC3 | [C][C][Branch1][Ring1][C][#N][Branch2][Ring1][Ring2][C][C][C][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][N][C][C][C][Ring1][Ring1] | CC4(C#N)CCCC2.c13cc(F)cc(F)c1.C15CC1.O23.N45 | [C][C][Branch][C][#N][pop][Branch][C][C][C][C][O][C][=C][C][Branch][F][pop][=C][C][Branch][F][pop][=C][Ring1][O][pop][N][C][C][C][Ring1][Ring1] |
CC(N)(C#N)COc1cc(F)cc(F)c1 | CCN)C#N))COcccF)ccF)c6 | [C][C][Branch1][C][N][Branch1][Ring1][C][#N][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2] | c13cc(F)cc(F)c1.CC(N)(C#N)C2.O23 | [C][C][Branch][N][pop][Branch][C][#N][pop][C][O][C][=C][C][Branch][F][pop][=C][C][Branch][F][pop][=C][Ring1][O] |
CNC(C)(C#N)COc1cc(F)cc(F)c1 | CNCC)C#N))COcccF)ccF)c6 | [C][N][C][Branch1][C][C][Branch1][Ring1][C][#N][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2] | c13cc(F)cc(F)c1.C4(C)(C#N)C2.CN4.O23 | [C][N][C][Branch][C][pop][Branch][C][#N][pop][C][O][C][=C][C][Branch][F][pop][=C][C][Branch][F][pop][=C][Ring1][O] |
CCNC(COc1cc(F)cc(F)c1)C(=O)OCC | CCNCCOcccF)ccF)c6))))))))C=O)OCC | [C][C][N][C][Branch1][P][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][=Branch1][C][=O][O][C][C] | c15cc(F)cc(F)c1.C7(C3)C2=O.CC6.N67.O35.O24.C4C | [C][C][N][C][Branch][C][O][C][=C][C][Branch][F][pop][=C][C][Branch][F][pop][=C][Ring1][O][pop][C][=Branch][=O][pop][O][C][C] |
CCNC(COc1cc(F)cc(F)c1)C(N)=O | CCNCCOcccF)ccF)c6))))))))CN)=O | [C][C][N][C][Branch1][P][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][Branch1][C][N][=O] | c13cc(F)cc(F)c1.C5(C2)C(N)=O.CC4.N45.O23 | [C][C][N][C][Branch][C][O][C][=C][C][Branch][F][pop][=C][C][Branch][F][pop][=C][Ring1][O][pop][C][Branch][N][pop][=O] |
CCOC(=O)C(C)(N)COc1cc(F)cc(F)c1 | CCOC=O)CC)N)COcccF)ccF)c6 | [C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][N][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2] | c15cc(F)cc(F)c1.C2(=O)C(C)(N)C4.CC3.O23.O45 | [C][C][O][C][=Branch][=O][pop][C][Branch][C][pop][Branch][N][pop][C][O][C][=C][C][Branch][F][pop][=C][C][Branch][F][pop][=C][Ring1][O] |
CC(N)(COc1cc(F)cc(F)c1)C(N)=O | CCN)COcccF)ccF)c6))))))))CN)=O | [C][C][Branch1][C][N][Branch1][P][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][Branch1][C][N][=O] | c13cc(F)cc(F)c1.CC(N)(C2)C(N)=O.O23 | [C][C][Branch][N][pop][Branch][C][O][C][=C][C][Branch][F][pop][=C][C][Branch][F][pop][=C][Ring1][O][pop][C][Branch][N][pop][=O] |
CNC(C)(COc1cc(F)cc(F)c1)C(=O)OC | CNCC)COcccF)ccF)c6))))))))C=O)OC | [C][N][C][Branch1][C][C][Branch1][P][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][=Branch1][C][=O][O][C] | c14cc(F)cc(F)c1.C5(C)(C3)C2=O.CN5.O34.O2C | [C][N][C][Branch][C][pop][Branch][C][O][C][=C][C][Branch][F][pop][=C][C][Branch][F][pop][=C][Ring1][O][pop][C][=Branch][=O][pop][O][C] |
NNc1ccc(COc2cc(F)cc(F)c2)cn1 | NNccccCOcccF)ccF)c6))))))))cn6 | [N][N][C][=C][C][=C][Branch1][P][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][=N][Ring1][S] | NNc1ccc5cn1.c14cc(F)cc(F)c1.C35.O34 | [N][N][C][=C][C][=C][Branch][C][O][C][=C][C][Branch][F][pop][=C][C][Branch][F][pop][=C][Ring1][O][pop][C][=N][Ring2][Ring1][Ring1] |
NNc1ccc(COc2cc(F)cc(F)c2)cc1[N+](=O)[O-] | NNccccCOcccF)ccF)c6))))))))cc6[N+]=O)[O-] | [N][N][C][=C][C][=C][Branch1][P][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][=C][Ring1][S][N+1][=Branch1][C][=O][O-1] | NNc1ccc5cc1[N+](=O)[O-].c14cc(F)cc(F)c1.C35.O34 | [N][N][C][=C][C][=C][Branch][C][O][C][=C][C][Branch][F][pop][=C][C][Branch][F][pop][=C][Ring1][O][pop][C][=C][Branch][NH0+1][=Branch][=O][pop][OH0-1][pop][Ring2][Ring1][Ring1] |
NNc1ccc([N+](=O)[O-])cc1COc1cc(F)cc(F)c1 | NNcccc[N+]=O)[O-]))cc6COcccF)ccF)c6 | [N][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2] | NNc1ccc([N+](=O)[O-])cc14.c13cc(F)cc(F)c1.C24.O23 | [N][N][C][=C][C][=C][Branch][NH0+1][=Branch][=O][pop][OH0-1][pop][C][=C][Branch][C][O][C][=C][C][Branch][F][pop][=C][C][Branch][F][pop][=C][Ring1][O][pop][Ring1][N] |
CC(C)CNCc1cc(Oc2cc(F)cc(F)c2)ccn1 | CCC)CNCcccOcccF)ccF)c6)))))))ccn6 | [C][C][Branch1][C][C][C][N][C][C][=C][C][Branch1][S][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][=C][C][=N][Ring1][#C] | c14cc(F)cc(F)c1.c17cc3ccn1.CC(C)C5.N56.C67.O34 | [C][C][Branch][C][pop][C][N][C][C][=C][C][Branch][O][C][=C][C][Branch][F][pop][=C][C][Branch][F][pop][=C][Ring1][O][pop][=C][C][=N][Ring2][Ring1][C] |
CNCc1c(C)cc(C)nc1Oc1cc(F)cc(F)c1 | CNCccC)ccC)nc6OcccF)ccF)c6 | [C][N][C][C][=C][Branch1][C][C][C][=C][Branch1][C][C][N][=C][Ring1][Branch2][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2] | c15c(C)cc(C)nc12.c13cc(F)cc(F)c1.CN4.C45.O23 | [C][N][C][C][=C][Branch][C][pop][C][=C][Branch][C][pop][N][=C][Branch][O][C][=C][C][Branch][F][pop][=C][C][Branch][F][pop][=C][Ring1][O][pop][Ring1][O] |
CCNCc1c(C)cc(C)nc1Oc1cc(F)cc(F)c1 | CCNCccC)ccC)nc6OcccF)ccF)c6 | [C][C][N][C][C][=C][Branch1][C][C][C][=C][Branch1][C][C][N][=C][Ring1][Branch2][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2] | c16c(C)cc(C)nc12.c13cc(F)cc(F)c1.CC4.N45.C56.O23 | [C][C][N][C][C][=C][Branch][C][pop][C][=C][Branch][C][pop][N][=C][Branch][O][C][=C][C][Branch][F][pop][=C][C][Branch][F][pop][=C][Ring1][O][pop][Ring1][O] |
CNCc1ccc(Oc2cc(F)cc(F)c2)nc1 | CNCccccOcccF)ccF)c6)))))))nc6 | [C][N][C][C][=C][C][=C][Branch1][S][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][N][=C][Ring1][#C] | c14cc(F)cc(F)c1.c16ccc3nc1.CN5.C56.O34 | [C][N][C][C][=C][C][=C][Branch][O][C][=C][C][Branch][F][pop][=C][C][Branch][F][pop][=C][Ring1][O][pop][N][=C][Ring2][Ring1][C] |
CCCNCc1ccc(Oc2cc(F)cc(F)c2)nc1 | CCCNCccccOcccF)ccF)c6)))))))nc6 | [C][C][C][N][C][C][=C][C][=C][Branch1][S][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][N][=C][Ring1][#C] | c14cc(F)cc(F)c1.c17ccc3nc1.CCC5.N56.C67.O34 | [C][C][C][N][C][C][=C][C][=C][Branch][O][C][=C][C][Branch][F][pop][=C][C][Branch][F][pop][=C][Ring1][O][pop][N][=C][Ring2][Ring1][C] |
CC(C)CNCc1ccc(Oc2cc(F)cc(F)c2)nc1 | CCC)CNCccccOcccF)ccF)c6)))))))nc6 | [C][C][Branch1][C][C][C][N][C][C][=C][C][=C][Branch1][S][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][N][=C][Ring1][#C] | c14cc(F)cc(F)c1.c17ccc3nc1.CC(C)C5.N56.C67.O34 | [C][C][Branch][C][pop][C][N][C][C][=C][C][=C][Branch][O][C][=C][C][Branch][F][pop][=C][C][Branch][F][pop][=C][Ring1][O][pop][N][=C][Ring2][Ring1][C] |
CNCc1cnc(Oc2cc(F)cc(F)c2)c(Cl)c1 | CNCccncOcccF)ccF)c6)))))))cCl)c6 | [C][N][C][C][=C][N][=C][Branch1][S][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][Branch1][C][Cl][=C][Ring1][S] | c16cnc3c(Cl)c1.c14cc(F)cc(F)c1.CN5.C56.O34 | [C][N][C][C][=C][N][=C][Branch][O][C][=C][C][Branch][F][pop][=C][C][Branch][F][pop][=C][Ring1][O][pop][C][Branch][Cl][pop][=C][Ring2][Ring1][Ring1] |
CNCc1ccc(Oc2cc(F)cc(F)c2)nn1 | CNCccccOcccF)ccF)c6)))))))nn6 | [C][N][C][C][=C][C][=C][Branch1][S][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][N][=N][Ring1][#C] | c14cc(F)cc(F)c1.c16ccc3nn1.CN5.C56.O34 | [C][N][C][C][=C][C][=C][Branch][O][C][=C][C][Branch][F][pop][=C][C][Branch][F][pop][=C][Ring1][O][pop][N][=N][Ring2][Ring1][C] |
CCNCc1cc(Br)cnc1Oc1cc(F)cc(F)c1 | CCNCcccBr)cnc6OcccF)ccF)c6 | [C][C][N][C][C][=C][C][Branch1][C][Br][=C][N][=C][Ring1][#Branch1][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2] | c16cc(Br)cnc12.c13cc(F)cc(F)c1.CC4.N45.C56.O23 | [C][C][N][C][C][=C][C][Branch][Br][pop][=C][N][=C][Branch][O][C][=C][C][Branch][F][pop][=C][C][Branch][F][pop][=C][Ring1][O][pop][Ring1][#Branch] |
CCCNCc1cc(Br)cnc1Oc1cc(F)cc(F)c1 | CCCNCcccBr)cnc6OcccF)ccF)c6 | [C][C][C][N][C][C][=C][C][Branch1][C][Br][=C][N][=C][Ring1][#Branch1][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2] | c16cc(Br)cnc12.c13cc(F)cc(F)c1.CCC4.N45.C56.O23 | [C][C][C][N][C][C][=C][C][Branch][Br][pop][=C][N][=C][Branch][O][C][=C][C][Branch][F][pop][=C][C][Branch][F][pop][=C][Ring1][O][pop][Ring1][#Branch] |
CCNCc1cccc(COc2cc(F)cc(F)c2)c1 | CCNCcccccCOcccF)ccF)c6))))))))c6 | [C][C][N][C][C][=C][C][=C][C][Branch1][P][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][=C][Ring1][S] | c14cc(F)cc(F)c1.c17cccc8c1.CC5.N56.C67.C38.O34 | [C][C][N][C][C][=C][C][=C][C][Branch][C][O][C][=C][C][Branch][F][pop][=C][C][Branch][F][pop][=C][Ring1][O][pop][=C][Ring2][Ring1][Ring1] |
CCCNCc1cccc(COc2cc(F)cc(F)c2)c1 | CCCNCcccccCOcccF)ccF)c6))))))))c6 | [C][C][C][N][C][C][=C][C][=C][C][Branch1][P][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][=C][Ring1][S] | c14cc(F)cc(F)c1.c17cccc8c1.CCC5.N56.C67.C38.O34 | [C][C][C][N][C][C][=C][C][=C][C][Branch][C][O][C][=C][C][Branch][F][pop][=C][C][Branch][F][pop][=C][Ring1][O][pop][=C][Ring2][Ring1][Ring1] |
CCNCc1cc(COc2cc(F)cc(F)c2)oc1C | CCNCcccCOcccF)ccF)c6))))))))oc5C | [C][C][N][C][C][C][=C][Branch1][P][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][O][C][=Ring1][#C][C] | c14cc(F)cc(F)c1.c18cc7oc1C.CC5.N56.C68.C37.O34 | [C][C][N][C][C][C][=C][Branch][C][O][C][=C][C][Branch][F][pop][=C][C][Branch][F][pop][=C][Ring1][O][pop][O][C][Branch][C][pop][=Ring2][Ring1][C] |
CCCNCc1cc(COc2cc(F)cc(F)c2)oc1C | CCCNCcccCOcccF)ccF)c6))))))))oc5C | [C][C][C][N][C][C][C][=C][Branch1][P][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][O][C][=Ring1][#C][C] | c14cc(F)cc(F)c1.c18cc7oc1C.CCC5.N56.C68.C37.O34 | [C][C][C][N][C][C][C][=C][Branch][C][O][C][=C][C][Branch][F][pop][=C][C][Branch][F][pop][=C][Ring1][O][pop][O][C][Branch][C][pop][=Ring2][Ring1][C] |
Cc1oc(COc2cc(F)cc(F)c2)cc1CNC(C)C | CcocCOcccF)ccF)c6))))))))cc5CNCC)C | [C][C][O][C][Branch1][P][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][=C][C][=Ring1][#C][C][N][C][Branch1][C][C][C] | c14cc(F)cc(F)c1.Cc1oc7cc18.C6(C)C.C37.O34.C58.N56 | [C][C][O][C][Branch][C][O][C][=C][C][Branch][F][pop][=C][C][Branch][F][pop][=C][Ring1][O][pop][=C][C][Branch][C][N][C][Branch][C][pop][C][pop][=Ring2][Ring1][C] |
NCc1ccoc1COc1cc(F)cc(F)c1 | NCcccoc5COcccF)ccF)c6 | [N][C][C][C][=C][O][C][=Ring1][Branch1][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2] | c13cc(F)cc(F)c1.c15ccoc14.NC5.C24.O23 | [N][C][C][C][=C][O][C][Branch][C][O][C][=C][C][Branch][F][pop][=C][C][Branch][F][pop][=C][Ring1][O][pop][=Ring1][Branch] |
NCc1sc2ccccc2c1COc1cc(F)cc(F)c1 | NCcscccccc6c9COcccF)ccF)c6 | [N][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2] | c15sc2ccccc2c16.c14cc(F)cc(F)c1.NC5.C36.O34 | [N][C][C][S][C][=C][C][=C][C][=C][Branch][C][Branch][C][O][C][=C][C][Branch][F][pop][=C][C][Branch][F][pop][=C][Ring1][O][pop][=Ring1][N][pop][Ring1][=Branch] |
NCc1nc(COc2cc(F)cc(F)c2)cs1 | NCcncCOcccF)ccF)c6))))))))cs5 | [N][C][C][=N][C][Branch1][P][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][=C][S][Ring1][#C] | c14cc(F)cc(F)c1.c15nc6cs1.NC5.C36.O34 | [N][C][C][=N][C][Branch][C][O][C][=C][C][Branch][F][pop][=C][C][Branch][F][pop][=C][Ring1][O][pop][=C][S][Ring2][Ring1][C] |
CC(CCCNC1CC1)Oc1cc(F)cc(F)c1 | CCCCCNCCC3)))))))OcccF)ccF)c6 | [C][C][Branch1][#Branch2][C][C][C][N][C][C][C][Ring1][Ring1][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2] | c13cc(F)cc(F)c1.CC2CCC4.C15CC1.N45.O23 | [C][C][Branch][C][C][C][N][C][C][C][Ring1][Ring1][pop][O][C][=C][C][Branch][F][pop][=C][C][Branch][F][pop][=C][Ring1][O] |
CC(CCCNC(C)(C)C)Oc1cc(F)cc(F)c1 | CCCCCNCC)C)C))))))OcccF)ccF)c6 | [C][C][Branch1][=N][C][C][C][N][C][Branch1][C][C][Branch1][C][C][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2] | c13cc(F)cc(F)c1.CC2CCC4.C5(C)(C)C.N45.O23 | [C][C][Branch][C][C][C][N][C][Branch][C][pop][Branch][C][pop][C][pop][O][C][=C][C][Branch][F][pop][=C][C][Branch][F][pop][=C][Ring1][O] |
CNCc1cc(COc2cc(F)cc(F)c2)on1 | CNCcccCOcccF)ccF)c6))))))))on5 | [C][N][C][C][C][=C][Branch1][P][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][O][N][=Ring1][#C] | c14cc(F)cc(F)c1.c16cc7on1.CN5.C56.C37.O34 | [C][N][C][C][C][=C][Branch][C][O][C][=C][C][Branch][F][pop][=C][C][Branch][F][pop][=C][Ring1][O][pop][O][N][=Ring2][Ring1][C] |
CCNCc1cc(COc2cc(F)cc(F)c2)on1 | CCNCcccCOcccF)ccF)c6))))))))on5 | [C][C][N][C][C][C][=C][Branch1][P][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][O][N][=Ring1][#C] | c14cc(F)cc(F)c1.c17cc8on1.CC5.N56.C67.C38.O34 | [C][C][N][C][C][C][=C][Branch][C][O][C][=C][C][Branch][F][pop][=C][C][Branch][F][pop][=C][Ring1][O][pop][O][N][=Ring2][Ring1][C] |
Fc1cc(F)cc(OCc2ccccc2CNC2CC2)c1 | FcccF)ccOCcccccc6CNCCC3)))))))))))))c6 | [F][C][=C][C][Branch1][C][F][=C][C][Branch2][Ring1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][C][Ring1][Ring1][=C][Ring2][Ring1][Ring2] | Fc1cc4cc(F)c1.c17ccccc18.C16CC1.O34.C37.C58.N56 | [F][C][=C][C][Branch][F][pop][=C][C][Branch][O][C][C][=C][C][=C][C][=C][Branch][C][N][C][C][C][Ring1][Ring1][pop][Ring1][=Branch][pop][=C][Ring2][Ring1][#Branch] |
CC(C)CNCc1occc1COc1cc(F)cc(F)c1 | CCC)CNCcoccc5COcccF)ccF)c6 | [C][C][Branch1][C][C][C][N][C][C][O][C][=C][C][=Ring1][Branch1][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2] | c13cc(F)cc(F)c1.c16occc17.CC(C)C4.N45.C56.C27.O23 | [C][C][Branch][C][pop][C][N][C][C][O][C][=C][C][Branch][C][O][C][=C][C][Branch][F][pop][=C][C][Branch][F][pop][=C][Ring1][O][pop][=Ring1][Branch] |
CNCC(C)Oc1cc(F)cc(F)c1 | CNCCC)OcccF)ccF)c6 | [C][N][C][C][Branch1][C][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2] | c13cc(F)cc(F)c1.C4C2C.CN4.O23 | [C][N][C][C][Branch][C][pop][O][C][=C][C][Branch][F][pop][=C][C][Branch][F][pop][=C][Ring1][O] |
CC(C)(C)NCCCCOc1cc(F)cc(F)c1 | CCC)C)NCCCCOcccF)ccF)c6 | [C][C][Branch1][C][C][Branch1][C][C][N][C][C][C][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2] | c13cc(F)cc(F)c1.C5CCC2.CC4(C)C.N45.O23 | [C][C][Branch][C][pop][Branch][C][pop][N][C][C][C][C][O][C][=C][C][Branch][F][pop][=C][C][Branch][F][pop][=C][Ring1][O] |
CC(C)(C)NCc1nc(COc2cc(F)cc(F)c2)cs1 | CCC)C)NCcncCOcccF)ccF)c6))))))))cs5 | [C][C][Branch1][C][C][Branch1][C][C][N][C][C][=N][C][Branch1][P][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][=C][S][Ring1][#C] | c14cc(F)cc(F)c1.c17nc8cs1.CC5(C)C.N56.C67.C38.O34 | [C][C][Branch][C][pop][Branch][C][pop][N][C][C][=N][C][Branch][C][O][C][=C][C][Branch][F][pop][=C][C][Branch][F][pop][=C][Ring1][O][pop][=C][S][Ring2][Ring1][C] |
CC(C)CNCc1nc(COc2cc(F)cc(F)c2)cs1 | CCC)CNCcncCOcccF)ccF)c6))))))))cs5 | [C][C][Branch1][C][C][C][N][C][C][=N][C][Branch1][P][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][=C][S][Ring1][#C] | c14cc(F)cc(F)c1.c17nc8cs1.CC(C)C5.N56.C67.C38.O34 | [C][C][Branch][C][pop][C][N][C][C][=N][C][Branch][C][O][C][=C][C][Branch][F][pop][=C][C][Branch][F][pop][=C][Ring1][O][pop][=C][S][Ring2][Ring1][C] |
CC(C)CCC(C)NCCOc1cc(F)cc(F)c1 | CCC)CCCC)NCCOcccF)ccF)c6 | [C][C][Branch1][C][C][C][C][C][Branch1][C][C][N][C][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2] | c13cc(F)cc(F)c1.CC(C)CCC4C.C5C2.N45.O23 | [C][C][Branch][C][pop][C][C][C][Branch][C][pop][N][C][C][O][C][=C][C][Branch][F][pop][=C][C][Branch][F][pop][=C][Ring1][O] |
C#CCNCCOc1cc(F)cc(F)c1 | C#CCNCCOcccF)ccF)c6 | [C][#C][C][N][C][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2] | c13cc(F)cc(F)c1.C#CC4.C5C2.N45.O23 | [C][#C][C][N][C][C][O][C][=C][C][Branch][F][pop][=C][C][Branch][F][pop][=C][Ring1][O] |
CC(NCCOc1cc(F)cc(F)c1)C1CC1 | CCNCCOcccF)ccF)c6))))))))))CCC3 | [C][C][Branch2][Ring1][Ring1][N][C][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][C][C][Ring1][Ring1] | c13cc(F)cc(F)c1.CC46.C5C2.C16CC1.N45.O23 | [C][C][Branch][N][C][C][O][C][=C][C][Branch][F][pop][=C][C][Branch][F][pop][=C][Ring1][O][pop][C][C][C][Ring1][Ring1] |
O=S1(=O)CCC(NCCOc2cc(F)cc(F)c2)C1 | O=S=O)CCCNCCOcccF)ccF)c6))))))))))C5 | [O][=S][=Branch1][C][=O][C][C][C][Branch2][Ring1][Ring1][N][C][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][Ring2][Ring1][C] | c14cc(F)cc(F)c1.O=S1(=O)CCC6C1.C5C3.N56.O34 | [O][=S][=Branch][=O][pop][C][C][C][Branch][N][C][C][O][C][=C][C][Branch][F][pop][=C][C][Branch][F][pop][=C][Ring1][O][pop][C][Ring2][Ring1][Branch] |
Fc1cccc(NCCOc2cc(F)cc(F)c2)c1 | FcccccNCCOcccF)ccF)c6))))))))))c6 | [F][C][=C][C][=C][C][Branch2][Ring1][Ring1][N][C][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][=C][Ring2][Ring1][C] | c14cc(F)cc(F)c1.Fc1cccc6c1.C5C3.N56.O34 | [F][C][=C][C][=C][C][Branch][N][C][C][O][C][=C][C][Branch][F][pop][=C][C][Branch][F][pop][=C][Ring1][O][pop][=C][Ring2][Ring1][Branch] |
Cc1ccc(C(=O)O)c(Oc2cc(F)cc(F)c2)n1 | CccccC=O)O))cOcccF)ccF)c6)))))))n6 | [C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][S][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][=N][Ring2][Ring1][C] | Cc1ccc5c3n1.c14cc(F)cc(F)c1.C5(=O)O.O34 | [C][C][=C][C][=C][Branch][C][=Branch][=O][pop][O][pop][C][Branch][O][C][=C][C][Branch][F][pop][=C][C][Branch][F][pop][=C][Ring1][O][pop][=N][Ring2][Ring1][Branch] |
Cc1ccc(C(=O)O)c(Oc2cc(F)cc(F)c2)c1 | CccccC=O)O))cOcccF)ccF)c6)))))))c6 | [C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][S][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][=C][Ring2][Ring1][C] | Cc1ccc5c3c1.c14cc(F)cc(F)c1.C5(=O)O.O34 | [C][C][=C][C][=C][Branch][C][=Branch][=O][pop][O][pop][C][Branch][O][C][=C][C][Branch][F][pop][=C][C][Branch][F][pop][=C][Ring1][O][pop][=C][Ring2][Ring1][Branch] |
O=C(O)c1nccnc1Oc1cc(F)cc(F)c1 | O=CO)cnccnc6OcccF)ccF)c6 | [O][=C][Branch1][C][O][C][=N][C][=C][N][=C][Ring1][=Branch1][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2] | c13cc(F)cc(F)c1.c14nccnc12.O=C4O.O23 | [O][=C][Branch][O][pop][C][=N][C][=C][N][=C][Branch][O][C][=C][C][Branch][F][pop][=C][C][Branch][F][pop][=C][Ring1][O][pop][Ring1][=Branch] |
Cc1nccc(NCc2cccc(C(=O)O)c2)n1 | CcncccNCcccccC=O)O))c6))))))))n6 | [C][C][=N][C][=C][C][Branch2][Ring1][C][N][C][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2][=N][Ring1][P] | Cc1nccc4n1.c16cccc5c1.C5(=O)O.N34.C36 | [C][C][=N][C][=C][C][Branch][N][C][C][=C][C][=C][C][Branch][C][=Branch][=O][pop][O][pop][=C][Ring1][N][pop][=N][Ring2][Ring1][Ring2] |
Cc1nccc(N(C)CCC(=O)O)n1 | CcncccNC)CCC=O)O)))))n6 | [C][C][=N][C][=C][C][Branch1][N][N][Branch1][C][C][C][C][C][=Branch1][C][=O][O][=N][Ring1][=N] | Cc1nccc3n1.C2CC(=O)O.N23C | [C][C][=N][C][=C][C][Branch][N][Branch][C][pop][C][C][C][=Branch][=O][pop][O][pop][=N][Ring1][S] |
CCN(CC(=O)O)c1ccnc(C)n1 | CCNCC=O)O)))cccncC)n6 | [C][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=C][C][=N][C][Branch1][C][C][=N][Ring1][#Branch1] | c14ccnc(C)n1.C3C(=O)O.N234.CC2 | [C][C][N][Branch][C][C][=Branch][=O][pop][O][pop][C][=C][C][=N][C][Branch][C][pop][=N][Ring1][#Branch] |
CC(C)CC1Cc2c(Cl)cc(Cl)cc2CN1 | CCC)CCCccCl)ccCl)cc6CN%10 | [C][C][Branch1][C][C][C][C][C][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][C][N][Ring1][N] | C13Cc2c(Cl)cc(Cl)cc2CN1.CC(C)C3 | [C][C][Branch][C][pop][C][C][C][C][=C][Branch][Cl][pop][C][=C][Branch][Cl][pop][C][=C][Branch][C][N][Ring1][#C][pop][Ring1][O] |
CC(C)CC1Cc2ccc(Cl)cc2CN1 | CCC)CCCccccCl)cc6CN%10 | [C][C][Branch1][C][C][C][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][N][Ring1][O] | C13Cc2ccc(Cl)cc2CN1.CC(C)C3 | [C][C][Branch][C][pop][C][C][C][C][=C][C][=C][Branch][Cl][pop][C][=C][Branch][C][N][Ring1][=C][pop][Ring1][#Branch] |
COc1cc2c(c(OC)c1OC)CNC(CC(C)C)C2 | COcccccOC))c6OC))))CNCCCC)C)))C6 | [C][O][C][=C][C][=C][Branch1][O][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][C][N][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][Ring1][S] | c13cc2c(c4c15)CNC6C2.C6C(C)C.CO3.O4C.O5C | [C][O][C][=C][C][=C][Branch][C][Branch][O][C][pop][=C][Branch][O][C][pop][Ring1][O][pop][C][N][C][Branch][C][C][Branch][C][pop][C][pop][C][Ring2][Ring1][Ring1] |
CC(C)CC1Cc2c(Cl)cccc2CN1 | CCC)CCCccCl)cccc6CN%10 | [C][C][Branch1][C][C][C][C][C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][C][N][Ring1][O] | C13Cc2c(Cl)cccc2CN1.CC(C)C3 | [C][C][Branch][C][pop][C][C][C][C][=C][Branch][Cl][pop][C][=C][C][=C][Branch][C][N][Ring1][=C][pop][Ring1][#Branch] |
CS(=O)(=O)CC(=O)c1cc(F)ccc1F | CS=O)=O)CC=O)cccF)ccc6F | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F] | c12cc(F)ccc1F.CS(=O)(=O)CC2=O | [C][S][=Branch][=O][pop][=Branch][=O][pop][C][C][=Branch][=O][pop][C][=C][C][Branch][F][pop][=C][C][=C][Branch][F][pop][Ring1][#Branch] |
Cc1ccc(C)c(C(=O)C(C)S(C)(=O)=O)c1 | CccccC)cC=O)CC)SC)=O)=O))))c6 | [C][C][=C][C][=C][Branch1][C][C][C][Branch1][P][C][=Branch1][C][=O][C][Branch1][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring1][#C] | Cc1ccc(C)c2c1.C2(=O)C(C)S(C)(=O)=O | [C][C][=C][C][=C][Branch][C][pop][C][Branch][C][=Branch][=O][pop][C][Branch][C][pop][S][Branch][C][pop][=Branch][=O][pop][=O][pop][=C][Ring2][Ring1][C] |
Cc1ccc(C(=O)C(C)S(C)(=O)=O)cc1 | CccccC=O)CC)SC)=O)=O))))cc6 | [C][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][C][Branch1][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][=C] | C2(=O)C(C)S(C)(=O)=O.Cc1ccc2cc1 | [C][C][=C][C][=C][Branch][C][=Branch][=O][pop][C][Branch][C][pop][S][Branch][C][pop][=Branch][=O][pop][=O][pop][C][=C][Ring1][P] |
CCc1ccc(C(N)C(C)S(C)(=O)=O)cc1 | CCccccCN)CC)SC)=O)=O))))cc6 | [C][C][C][=C][C][=C][Branch1][P][C][Branch1][C][N][C][Branch1][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][=C] | C3(N)C(C)S(C)(=O)=O.c12ccc3cc1.CC2 | [C][C][C][=C][C][=C][Branch][C][Branch][N][pop][C][Branch][C][pop][S][Branch][C][pop][=Branch][=O][pop][=O][pop][C][=C][Ring1][P] |
CCOc1ccc(C(C)N)cc1CS(C)(=O)=O | CCOccccCC)N))cc6CSC)=O)=O | [C][C][O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][N][C][=C][Ring1][=Branch2][C][S][Branch1][C][C][=Branch1][C][=O][=O] | c13ccc4cc15.C5S(C)(=O)=O.C4(C)N.CC2.O23 | [C][C][O][C][=C][C][=C][Branch][C][Branch][C][pop][N][pop][C][=C][Branch][C][S][Branch][C][pop][=Branch][=O][pop][=O][pop][Ring1][N] |
COc1ccc(C(C)N)cc1CS(C)(=O)=O | COccccCC)N))cc6CSC)=O)=O | [C][O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][N][C][=C][Ring1][=Branch2][C][S][Branch1][C][C][=Branch1][C][=O][=O] | c12ccc3cc14.C4S(C)(=O)=O.C3(C)N.CO2 | [C][O][C][=C][C][=C][Branch][C][Branch][C][pop][N][pop][C][=C][Branch][C][S][Branch][C][pop][=Branch][=O][pop][=O][pop][Ring1][N] |
CNC(CS(C)(=O)=O)c1ccc(OC)c(OC)c1 | CNCCSC)=O)=O)))ccccOC))cOC))c6 | [C][N][C][Branch1][#Branch2][C][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2] | c15ccc2c3c1.C45CS(C)(=O)=O.CN4.O2C.O3C | [C][N][C][Branch][C][S][Branch][C][pop][=Branch][=O][pop][=O][pop][C][=C][C][=C][Branch][O][C][pop][C][Branch][O][C][pop][=C][Ring1][=N] |
CCCC(NC)C(CC)S(C)(=O)=O | CCCCNC))CCC))SC)=O)=O | [C][C][C][C][Branch1][Ring1][N][C][C][Branch1][Ring1][C][C][S][Branch1][C][C][=Branch1][C][=O][=O] | CCCC1C(CC)S(C)(=O)=O.N1C | [C][C][C][C][Branch][N][C][pop][C][Branch][C][C][pop][S][Branch][C][pop][=Branch][=O][pop][=O] |
CCNC(CS(C)(=O)=O)c1cc2ccccc2o1 | CCNCCSC)=O)=O)))cccccccc6o9 | [C][C][N][C][Branch1][#Branch2][C][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2] | c15cc2ccccc2o1.C45CS(C)(=O)=O.CC3.N34 | [C][C][N][C][Branch][C][S][Branch][C][pop][=Branch][=O][pop][=O][pop][C][=C][C][=C][C][=C][C][=C][Branch][O][Ring1][N][pop][Ring1][=Branch] |
CCNC(CS(C)(=O)=O)c1ccc(C(C)C)cc1 | CCNCCSC)=O)=O)))ccccCC)C))cc6 | [C][C][N][C][Branch1][#Branch2][C][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2] | C34CS(C)(=O)=O.c14ccc5cc1.C5(C)C.CC2.N23 | [C][C][N][C][Branch][C][S][Branch][C][pop][=Branch][=O][pop][=O][pop][C][=C][C][=C][Branch][C][Branch][C][pop][C][pop][C][=C][Ring1][N] |
CCNC1c2ccccc2OCC1S(C)(=O)=O | CCNCcccccc6OCC%10SC)=O)=O | [C][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Ring1][#Branch2][S][Branch1][C][C][=Branch1][C][=O][=O] | N3C1c2ccccc2OCC1S(C)(=O)=O.CC3 | [C][C][N][C][C][=C][C][=C][C][=C][Branch][O][C][C][Branch][S][Branch][C][pop][=Branch][=O][pop][=O][pop][Ring1][=N][pop][Ring1][=Branch] |
CCCNC(CS(C)(=O)=O)c1ccc(C(C)C)cc1 | CCCNCCSC)=O)=O)))ccccCC)C))cc6 | [C][C][C][N][C][Branch1][#Branch2][C][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2] | C34CS(C)(=O)=O.c14ccc5cc1.CCC2.C5(C)C.N23 | [C][C][C][N][C][Branch][C][S][Branch][C][pop][=Branch][=O][pop][=O][pop][C][=C][C][=C][Branch][C][Branch][C][pop][C][pop][C][=C][Ring1][N] |
CCCNC(c1ccccc1)C(CC)S(C)(=O)=O | CCCNCcccccc6))))))CCC))SC)=O)=O | [C][C][C][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Ring1][C][C][S][Branch1][C][C][=Branch1][C][=O][=O] | C34C(CC)S(C)(=O)=O.c14ccccc1.CCC2.N23 | [C][C][C][N][C][Branch][C][=C][C][=C][C][=C][Ring1][=Branch][pop][C][Branch][C][C][pop][S][Branch][C][pop][=Branch][=O][pop][=O] |
CN(C)c1ccc(-c2ccc(=O)[nH]n2)cc1 | CNC)cccc-cccc=O)[nH]n6))))))cc6 | [C][N][Branch1][C][C][C][=C][C][=C][Branch1][N][C][C][=C][C][=Branch1][C][=O][NH1][N][=Ring1][#Branch1][C][=C][Ring1][=N] | c13ccc4cc1.c14ccc(=O)[nH]n1.CN3C | [C][N][Branch][C][pop][C][=C][C][=C][Branch][C][C][=C][C][=Branch][=O][pop][N][N][=Ring1][#Branch][pop][C][=C][Ring1][S] |
CCCC1CCc2n[nH]c(=O)cc2C1 | CCCCCCcn[nH]c=O)cc6C%10 | [C][C][C][C][C][C][C][=N][NH1][C][=Branch1][C][=O][C][=C][Ring1][#Branch1][C][Ring1][O] | C13CCc2n[nH]c(=O)cc2C1.CCC3 | [C][C][C][C][C][C][C][=N][N][C][=Branch][=O][pop][C][=C][Branch][C][Ring1][=C][pop][Ring1][#Branch] |
Cc1cc(=O)[nH]nc1C(C)C | Cccc=O)[nH]nc6CC)C | [C][C][=C][C][=Branch1][C][=O][NH1][N][=C][Ring1][#Branch1][C][Branch1][C][C][C] | Cc1cc(=O)[nH]nc12.C2(C)C | [C][C][=C][C][=Branch][=O][pop][N][N][=C][Branch][C][Branch][C][pop][C][pop][Ring1][#Branch] |
CCC(C)c1ccc(=O)[nH]n1 | CCCC)cccc=O)[nH]n6 | [C][C][C][Branch1][C][C][C][C][=C][C][=Branch1][C][=O][NH1][N][=Ring1][#Branch1] | c12ccc(=O)[nH]n1.CCC2C | [C][C][C][Branch][C][pop][C][C][=C][C][=Branch][=O][pop][N][N][=Ring1][#Branch] |
CCc1ccc(-c2n[nH]c(=O)cc2C)cc1 | CCcccc-cn[nH]c=O)cc6C)))))))cc6 | [C][C][C][=C][C][=C][Branch1][=N][C][=N][NH1][C][=Branch1][C][=O][C][=C][Ring1][#Branch1][C][C][=C][Ring1][=C] | c14n[nH]c(=O)cc1C.c13ccc4cc1.CC3 | [C][C][C][=C][C][=C][Branch][C][=N][N][C][=Branch][=O][pop][C][=C][Branch][C][pop][Ring1][#Branch][pop][C][=C][Ring1][P] |
O=c1cc2c(n[nH]1)CCN(CCc1ccccc1)C2 | O=ccccn[nH]6))CCNCCcccccc6))))))))C6 | [O][=C][C][=C][C][=Branch1][Branch1][=N][NH1][Ring1][=Branch1][C][C][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][S] | O=c1cc2c(n[nH]1)CCN3C2.c14ccccc1.C3C4 | [O][=C][C][=C][C][=Branch][=N][N][Ring1][=Branch][pop][C][C][N][Branch][C][C][C][=C][C][=C][C][=C][Ring1][=Branch][pop][C][Ring2][Ring1][Ring1] |
CC(C)C1CCc2n[nH]c(=O)cc2C1 | CCC)CCCcn[nH]c=O)cc6C%10 | [C][C][Branch1][C][C][C][C][C][C][=N][NH1][C][=Branch1][C][=O][C][=C][Ring1][#Branch1][C][Ring1][O] | C13CCc2n[nH]c(=O)cc2C1.CC3C | [C][C][Branch][C][pop][C][C][C][C][=N][N][C][=Branch][=O][pop][C][=C][Branch][C][Ring1][=C][pop][Ring1][#Branch] |
CCC(C)(C)C1CCc2nnc(Cl)cc2C1 | CCCC)C)CCCcnncCl)cc6C%10 | [C][C][C][Branch1][C][C][Branch1][C][C][C][C][C][C][=N][N][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][O] | C13CCc2nnc(Cl)cc2C1.CCC3(C)C | [C][C][C][Branch][C][pop][Branch][C][pop][C][C][C][C][=N][N][=C][Branch][Cl][pop][C][=C][Branch][C][Ring1][=C][pop][Ring1][#Branch] |
CCC1CCc2nnc(Cl)cc2C1 | CCCCCcnncCl)cc6C%10 | [C][C][C][C][C][C][=N][N][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][O] | C13CCc2nnc(Cl)cc2C1.CC3 | [C][C][C][C][C][C][=N][N][=C][Branch][Cl][pop][C][=C][Branch][C][Ring1][=C][pop][Ring1][#Branch] |
Cc1ccc(-c2nnc(N)cc2C)cc1 | Ccccc-cnncN)cc6C)))))))cc6 | [C][C][=C][C][=C][Branch1][=N][C][=N][N][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][C][=C][Ring1][=C] | c13nnc(N)cc1C.Cc1ccc3cc1 | [C][C][=C][C][=C][Branch][C][=N][N][=C][Branch][N][pop][C][=C][Branch][C][pop][Ring1][#Branch][pop][C][=C][Ring1][P] |
COc1ccc(-c2nnc(N)cc2C)cc1 | COcccc-cnncN)cc6C)))))))cc6 | [C][O][C][=C][C][=C][Branch1][=N][C][=N][N][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][C][=C][Ring1][=C] | c14nnc(N)cc1C.c13ccc4cc1.CO3 | [C][O][C][=C][C][=C][Branch][C][=N][N][=C][Branch][N][pop][C][=C][Branch][C][pop][Ring1][#Branch][pop][C][=C][Ring1][P] |