molecule_smiles
stringlengths 1
2.5k
| SELFIES
stringlengths 3
9.88k
|
|---|---|
O=C(CNc1cnnc(Cl)n1)NC1CC1 | [O][=C][Branch1][=C][C][N][C][=C][N][=N][C][Branch1][C][Cl][=N][Ring1][#Branch1][N][C][C][C][Ring1][Ring1] |
CCCCC(C)NC1(C(=O)O)CCCCC1 | [C][C][C][C][C][Branch1][C][C][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C][C][C][Ring1][=Branch2] |
Cn1ccnc1Sc1cnnc(Cl)n1 | [C][N][C][=C][N][=C][Ring1][Branch1][S][C][=C][N][=N][C][Branch1][C][Cl][=N][Ring1][#Branch1] |
CCNCCC(C)Oc1ccc(Cl)cc1 | [C][C][N][C][C][C][Branch1][C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CCNCCC(C)Oc1ccccc1Cl | [C][C][N][C][C][C][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] |
Clc1nncc(OC2CCCCCC2)n1 | [Cl][C][=N][N][=C][C][Branch1][O][O][C][C][C][C][C][C][C][Ring1][#Branch1][=N][Ring1][=C] |
CC1CCCC(Oc2cnnc(Cl)n2)C1 | [C][C][C][C][C][C][Branch1][=N][O][C][=C][N][=N][C][Branch1][C][Cl][=N][Ring1][#Branch1][C][Ring1][=C] |
CCC(CC)(CO)Nc1c[nH]nc1[N+](=O)[O-] | [C][C][C][Branch1][Ring1][C][C][Branch1][Ring1][C][O][N][C][=C][NH1][N][=C][Ring1][Branch1][N+1][=Branch1][C][=O][O-1] |
CCC(C(=O)O)N(C)c1c[nH]nc1[N+](=O)[O-] | [C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][Branch1][C][C][C][=C][NH1][N][=C][Ring1][Branch1][N+1][=Branch1][C][=O][O-1] |
Clc1nncc(OCc2cccs2)n1 | [Cl][C][=N][N][=C][C][Branch1][#Branch2][O][C][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][=N] |
Cc1nnc(SC(C)(C(=O)O)C2CC2)o1 | [C][C][=N][N][=C][Branch2][Ring1][C][S][C][Branch1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C][Ring1][Ring1][O][Ring1][=C] |
COCCC(C)(CN)N(C)CC(F)(F)F | [C][O][C][C][C][Branch1][C][C][Branch1][Ring1][C][N][N][Branch1][C][C][C][C][Branch1][C][F][Branch1][C][F][F] |
NC(=O)C1CCCN1c1cnnc(Cl)n1 | [N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=C][N][=N][C][Branch1][C][Cl][=N][Ring1][#Branch1] |
CC1CCCCC1Oc1cnnc(Cl)n1 | [C][C][C][C][C][C][C][Ring1][=Branch1][O][C][=C][N][=N][C][Branch1][C][Cl][=N][Ring1][#Branch1] |
Clc1nncc(SCc2ccco2)n1 | [Cl][C][=N][N][=C][C][Branch1][#Branch2][S][C][C][=C][C][=C][O][Ring1][Branch1][=N][Ring1][=N] |
COCCC(C)(C(=O)O)n1nc(C)nc1C | [C][O][C][C][C][Branch1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][N][=C][Branch1][C][C][N][=C][Ring1][=Branch1][C] |
CCN1CCN(c2cnnc(Cl)n2)CC1 | [C][C][N][C][C][N][Branch1][N][C][=C][N][=N][C][Branch1][C][Cl][=N][Ring1][#Branch1][C][C][Ring1][=N] |
CCCC(C)(NC1CCCNC1=O)C(=O)O | [C][C][C][C][Branch1][C][C][Branch1][O][N][C][C][C][C][N][C][Ring1][=Branch1][=O][C][=Branch1][C][=O][O] |
CCC(CC)(NC1CCCNC1=O)C(=O)O | [C][C][C][Branch1][Ring1][C][C][Branch1][O][N][C][C][C][C][N][C][Ring1][=Branch1][=O][C][=Branch1][C][=O][O] |
Cc1ccc(CNC2(C(=O)O)CCOCC2)o1 | [C][C][=C][C][=C][Branch2][Ring1][C][C][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][O][C][C][Ring1][=Branch2][O][Ring1][S] |
COCC(C)(NCc1ccnc(C)n1)C(=O)O | [C][O][C][C][Branch1][C][C][Branch1][=C][N][C][C][=C][C][=N][C][Branch1][C][C][=N][Ring1][#Branch1][C][=Branch1][C][=O][O] |
Nc1cc(Cn2c(O)cc3ccccc32)ccn1 | [N][C][=C][C][Branch2][Ring1][C][C][N][C][Branch1][C][O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][=C][C][=N][Ring1][P] |
Cc1cc(N)cnc1OCCc1ccccc1 | [C][C][=C][C][Branch1][C][N][=C][N][=C][Ring1][#Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CCNCCC(C)Oc1cccc(Cl)c1 | [C][C][N][C][C][C][Branch1][C][C][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] |
CN1CCCCC1CNc1c[nH]nc1[N+](=O)[O-] | [C][N][C][C][C][C][C][Ring1][=Branch1][C][N][C][=C][NH1][N][=C][Ring1][Branch1][N+1][=Branch1][C][=O][O-1] |
CN1CCC(CNc2c[nH]nc2[N+](=O)[O-])CC1 | [C][N][C][C][C][Branch1][#C][C][N][C][=C][NH1][N][=C][Ring1][Branch1][N+1][=Branch1][C][=O][O-1][C][C][Ring1][S] |
Cc1nc(N)c(NCc2ccc(C#N)cc2)[nH]1 | [C][C][=N][C][Branch1][C][N][=C][Branch1][#C][N][C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][NH1][Ring1][S] |
Nc1ncccc1COCCc1ccccc1 | [N][C][=N][C][=C][C][=C][Ring1][=Branch1][C][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
COCCC(C)(C(=O)O)n1c(C)cccc1=O | [C][O][C][C][C][Branch1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][Branch1][C][C][=C][C][=C][C][Ring1][#Branch1][=O] |
CN1CCCC(CNc2c[nH]nc2[N+](=O)[O-])C1 | [C][N][C][C][C][C][Branch1][#C][C][N][C][=C][NH1][N][=C][Ring1][Branch1][N+1][=Branch1][C][=O][O-1][C][Ring1][S] |
Nc1ncccc1Cn1c(O)cc2ccccc21 | [N][C][=N][C][=C][C][=C][Ring1][=Branch1][C][N][C][Branch1][C][O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] |
CCc1oc2ccccc2c1CS(N)(=O)=O | [C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][S][Branch1][C][N][=Branch1][C][=O][=O] |
CNC(=O)CCNC1(C(=O)O)CCCCC1 | [C][N][C][=Branch1][C][=O][C][C][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C][C][C][Ring1][=Branch2] |
COCC(C)(NCCS(C)(=O)=O)C(=O)O | [C][O][C][C][Branch1][C][C][Branch1][N][N][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][C][=Branch1][C][=O][O] |
Cc1ccc(CNC(C)(CC(C)C)C(=O)O)o1 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][C][N][C][Branch1][C][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][O][Ring1][S] |
CC(Nc1c[nH]nc1[N+](=O)[O-])C1CCCNC1 | [C][C][Branch1][=C][N][C][=C][NH1][N][=C][Ring1][Branch1][N+1][=Branch1][C][=O][O-1][C][C][C][C][N][C][Ring1][=Branch1] |
CCC(C)(NC(C)c1cc(C)oc1C)C(=O)O | [C][C][C][Branch1][C][C][Branch1][P][N][C][Branch1][C][C][C][C][=C][Branch1][C][C][O][C][=Ring1][=Branch1][C][C][=Branch1][C][=O][O] |
CCN(c1cccc(F)c1)C(C)(CC)C(=O)O | [C][C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][Branch1][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][O] |
CC(C)CNCC(C)COc1ccccc1F | [C][C][Branch1][C][C][C][N][C][C][Branch1][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][F] |
CN(C)C(=O)CCNC(C)(C(=O)O)C1CC1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][N][C][Branch1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C][Ring1][Ring1] |
CN(C)C(=O)CCNC1(C(=O)O)CCCC1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C][C][Ring1][Branch2] |
Nc1cc(COCCc2ccccc2)ccn1 | [N][C][=C][C][Branch1][=N][C][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=N][Ring1][S] |
CCC(C)NC(=O)CCNc1[nH]c(C)nc1N | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][N][C][NH1][C][Branch1][C][C][=N][C][=Ring1][=Branch1][N] |
COCCC(C)(OCc1ccco1)C(=O)O | [C][O][C][C][C][Branch1][C][C][Branch1][#Branch2][O][C][C][=C][C][=C][O][Ring1][Branch1][C][=Branch1][C][=O][O] |
N#Cc1cccc(-n2ncc(CNC3CC3)n2)c1 | [N][#C][C][=C][C][=C][C][Branch1][P][N][N][=C][C][Branch1][Branch2][C][N][C][C][C][Ring1][Ring1][=N][Ring1][#Branch2][=C][Ring1][S] |
CC(CCNC(C)(C)C)Oc1ccc(F)cc1 | [C][C][Branch1][N][C][C][N][C][Branch1][C][C][Branch1][C][C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CC(C)CNCCC(C)Oc1ccc(F)cc1 | [C][C][Branch1][C][C][C][N][C][C][C][Branch1][C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CC(C)CNCC(C)COc1ccc(F)cc1 | [C][C][Branch1][C][C][C][N][C][C][Branch1][C][C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
Cc1ccc(CNC2(C(=O)O)CCCC2)s1 | [C][C][=C][C][=C][Branch1][P][C][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C][C][Ring1][Branch2][S][Ring1][#C] |
CCC(C)(C(=O)O)N1CCCC1C1CCCC1 | [C][C][C][Branch1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][C][C][C][Ring1][Branch1][C][C][C][C][C][Ring1][Branch1] |
CC(C)CNCC(C)COc1cccc(F)c1 | [C][C][Branch1][C][C][C][N][C][C][Branch1][C][C][C][O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] |
CC1CCC(Oc2cnnc(Cl)n2)CC1 | [C][C][C][C][C][Branch1][=N][O][C][=C][N][=N][C][Branch1][C][Cl][=N][Ring1][#Branch1][C][C][Ring1][=C] |
CC(c1nc2ccccc2n1C)S(N)(=O)=O | [C][C][Branch1][#C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][S][Branch1][C][N][=Branch1][C][=O][=O] |
CC(CCNC1CC1)OCCc1cccs1 | [C][C][Branch1][=Branch2][C][C][N][C][C][C][Ring1][Ring1][O][C][C][C][=C][C][=C][S][Ring1][Branch1] |
CCNCC(C)Oc1c(OC)cccc1OC | [C][C][N][C][C][Branch1][C][C][O][C][=C][Branch1][Ring1][O][C][C][=C][C][=C][Ring1][Branch2][O][C] |
Cc1ccc(CNC(C)(C(=O)O)C2CC2)s1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][C][N][C][Branch1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C][Ring1][Ring1][S][Ring1][#C] |
Cc1cnc(Sc2cnnc(Cl)n2)nc1 | [C][C][=C][N][=C][Branch1][=N][S][C][=C][N][=N][C][Branch1][C][Cl][=N][Ring1][#Branch1][N][=C][Ring1][=C] |
Clc1nncc(NC2CN3CCC2CC3)n1 | [Cl][C][=N][N][=C][C][Branch1][=C][N][C][C][N][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1][=N][Ring1][#C] |
CCC(C)(NCCCCn1ccnc1)C(=O)O | [C][C][C][Branch1][C][C][Branch1][=N][N][C][C][C][C][N][C][=C][N][=C][Ring1][Branch1][C][=Branch1][C][=O][O] |
CC(CCNC(C)(C)C)Oc1cccc(F)c1 | [C][C][Branch1][N][C][C][N][C][Branch1][C][C][Branch1][C][C][C][O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] |
CC1CC=CCC1COc1cnnc(Cl)n1 | [C][C][C][C][=C][C][C][Ring1][=Branch1][C][O][C][=C][N][=N][C][Branch1][C][Cl][=N][Ring1][#Branch1] |
N#Cc1ccc(-n2ncc(CNC3CC3)n2)cc1 | [N][#C][C][=C][C][=C][Branch1][P][N][N][=C][C][Branch1][Branch2][C][N][C][C][C][Ring1][Ring1][=N][Ring1][#Branch2][C][=C][Ring1][S] |
Clc1nncc(NC2CCN3CCCC23)n1 | [Cl][C][=N][N][=C][C][Branch1][=C][N][C][C][C][N][C][C][C][C][Ring1][Branch2][Ring1][Branch1][=N][Ring1][#C] |
CC(C)CNCCC(C)Oc1cccc(F)c1 | [C][C][Branch1][C][C][C][N][C][C][C][Branch1][C][C][O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] |
CCCC1CCN(C(C)(C(=O)O)C2CC2)CC1 | [C][C][C][C][C][C][N][Branch1][P][C][Branch1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C][Ring1][Ring1][C][C][Ring1][=C] |
Clc1nncc(N2CCN(C3CC3)CC2)n1 | [Cl][C][=N][N][=C][C][Branch1][S][N][C][C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][C][Ring1][=Branch2][=N][Ring1][#C] |
CC1(C)CC1NC1(C(=O)O)CCCCCCC1 | [C][C][Branch1][C][C][C][C][Ring1][Ring2][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C][C][C][C][C][Ring1][O] |
CCC1CCC(NC2CC2(C)C)(C(=O)O)CC1 | [C][C][C][C][C][C][Branch1][O][N][C][C][C][Ring1][Ring1][Branch1][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][Ring1][#C] |
CCCC1CCN(C2(C(=O)O)CCCC2)CC1 | [C][C][C][C][C][C][N][Branch1][#C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C][C][Ring1][Branch2][C][C][Ring1][=C] |
CC(CCNC1CC1)Oc1cccc(Cl)c1 | [C][C][Branch1][=Branch2][C][C][N][C][C][C][Ring1][Ring1][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] |
CC(CCNC(C)(C)C)Oc1ccccc1F | [C][C][Branch1][N][C][C][N][C][Branch1][C][C][Branch1][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][F] |
Clc1nncc(NC2CCN(C3CC3)C2)n1 | [Cl][C][=N][N][=C][C][Branch1][S][N][C][C][C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring1][Branch2][=N][Ring1][#C] |
Cc1ccc(OC(C)(C)C(=O)O)c([N+](=O)[O-])n1 | [C][C][=C][C][=C][Branch1][=C][O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=N][Ring1][S] |
CCN1CCCC(C(C)S(=O)(=O)Cl)C1 | [C][C][N][C][C][C][C][Branch1][=N][C][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][Cl][C][Ring1][N] |
CC(C)CN(CCC#N)c1cnnc(Cl)n1 | [C][C][Branch1][C][C][C][N][Branch1][Branch1][C][C][C][#N][C][=C][N][=N][C][Branch1][C][Cl][=N][Ring1][#Branch1] |
NS(=O)(=O)Cc1ccc(Br)o1 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Br][O][Ring1][=Branch1] |
CC(CCNC1CC1)Oc1ccc(Cl)cc1 | [C][C][Branch1][=Branch2][C][C][N][C][C][C][Ring1][Ring1][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CC(C)CNCCC(C)Oc1ccccc1F | [C][C][Branch1][C][C][C][N][C][C][C][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][F] |
CC(NCCCN)(C(=O)O)c1cccc(F)c1 | [C][C][Branch1][=Branch1][N][C][C][C][N][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] |
CC(NCCCN)(C(=O)O)c1ccc(F)cc1 | [C][C][Branch1][=Branch1][N][C][C][C][N][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CCC(C)(C(=O)O)n1cccc([N+](=O)[O-])c1=O | [C][C][C][Branch1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Ring1][=Branch2][=O] |
CC(NCCCN)(C(=O)O)c1ccccc1F | [C][C][Branch1][=Branch1][N][C][C][C][N][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][F] |
Cc1ccc(OC(C)CC(=O)O)c([N+](=O)[O-])n1 | [C][C][=C][C][=C][Branch1][N][O][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=N][Ring1][S] |
CC(CCNC1CC1)Oc1ccccc1Cl | [C][C][Branch1][=Branch2][C][C][N][C][C][C][Ring1][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] |
COCC(C)(Nc1ccc(OC)nc1)C(=O)O | [C][O][C][C][Branch1][C][C][Branch1][=C][N][C][=C][C][=C][Branch1][Ring1][O][C][N][=C][Ring1][Branch2][C][=Branch1][C][=O][O] |
CCN1CCC(C(C)S(=O)(=O)Cl)CC1 | [C][C][N][C][C][C][Branch1][=N][C][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][Cl][C][C][Ring1][N] |
CC1(NC2(C(=O)O)CCCCC2)CCCCC1 | [C][C][Branch1][P][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C][C][C][Ring1][=Branch2][C][C][C][C][C][Ring1][S] |
O=[N+]([O-])c1[nH]ncc1N1CCCC1CCCO | [O][=N+1][Branch1][C][O-1][C][NH1][N][=C][C][=Ring1][Branch1][N][C][C][C][C][Ring1][Branch1][C][C][C][O] |
CC1CCCC(C(=O)O)(N2CCN(C)C2=O)C1 | [C][C][C][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][Branch1][N][N][C][C][N][Branch1][C][C][C][Ring1][=Branch1][=O][C][Ring1][S] |
Cc1ccc(OCC(C)C(=O)O)c([N+](=O)[O-])n1 | [C][C][=C][C][=C][Branch1][N][O][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=N][Ring1][S] |
CCCC(C)(NC(C)c1nncn1C)C(=O)O | [C][C][C][C][Branch1][C][C][Branch1][=C][N][C][Branch1][C][C][C][=N][N][=C][N][Ring1][Branch1][C][C][=Branch1][C][=O][O] |
CCC(CC)(NC(C)c1nncn1C)C(=O)O | [C][C][C][Branch1][Ring1][C][C][Branch1][=C][N][C][Branch1][C][C][C][=N][N][=C][N][Ring1][Branch1][C][C][=Branch1][C][=O][O] |
CC(C)CC(C)(NCc1nncn1C)C(=O)O | [C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][O][N][C][C][=N][N][=C][N][Ring1][Branch1][C][C][=Branch1][C][=O][O] |
COCCC(C)(C(=O)O)n1ccnc1C(C)C | [C][O][C][C][C][Branch1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][=C][N][=C][Ring1][Branch1][C][Branch1][C][C][C] |
Cc1cc(CNC(C)(CC(C)C)C(=O)O)no1 | [C][C][=C][C][Branch2][Ring1][Ring2][C][N][C][Branch1][C][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][=N][O][Ring1][S] |
Cc1cc(CNC(C)(CC(C)C)C(=O)O)on1 | [C][C][C][=C][Branch2][Ring1][Ring2][C][N][C][Branch1][C][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][O][N][=Ring1][S] |
Cc1ccnc(Sc2cnnc(Cl)n2)n1 | [C][C][=C][C][=N][C][Branch1][=N][S][C][=C][N][=N][C][Branch1][C][Cl][=N][Ring1][#Branch1][=N][Ring1][=C] |
CCCC(C)(Sc1nccc(C)n1)C(=O)O | [C][C][C][C][Branch1][C][C][Branch1][=N][S][C][=N][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][C][=Branch1][C][=O][O] |
CCC(CC)(Sc1nccc(C)n1)C(=O)O | [C][C][C][Branch1][Ring1][C][C][Branch1][=N][S][C][=N][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][C][=Branch1][C][=O][O] |
COCCC(C)(C(=O)O)n1nc(C)c(C)c1C | [C][O][C][C][C][Branch1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][N][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C] |