molecule_smiles
stringlengths
1
2.5k
SELFIES
stringlengths
3
9.88k
CNC(CCOCCC(C)C)CC(F)(F)F
[C][N][C][Branch1][O][C][C][O][C][C][C][Branch1][C][C][C][C][C][Branch1][C][F][Branch1][C][F][F]
COCC(C)(Sc1ccccc1N)C(=O)O
[C][O][C][C][Branch1][C][C][Branch1][O][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][O]
CN1CCc2cc(CS(=O)(=O)Cl)ccc21
[C][N][C][C][C][=C][C][Branch1][#Branch2][C][S][=Branch1][C][=O][=Branch1][C][=O][Cl][=C][C][=C][Ring1][O][Ring1][=C]
CCC(CC)(C(=O)O)N1CCOC2CCCC21
[C][C][C][Branch1][Ring1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][C][O][C][C][C][C][C][Ring1][Branch1][Ring1][=Branch2]
COCC(C)(C(=O)O)N(C)c1cccc(F)c1
[C][O][C][C][Branch1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][Branch1][C][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1]
CCCC(C)(C(=O)O)N1CCOC2CCCC21
[C][C][C][C][Branch1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][C][O][C][C][C][C][C][Ring1][Branch1][Ring1][=Branch2]
Cc1cc(C)cc(C(O)CNc2ccccc2)c1
[C][C][=C][C][Branch1][C][C][=C][C][Branch1][#C][C][Branch1][C][O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][P]
CCC(C)(C(=O)O)N1CCOC2CCCCC21
[C][C][C][Branch1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][C][O][C][C][C][C][C][C][Ring1][=Branch1][Ring1][#Branch2]
COCC(C)(NCCc1nccn1C)C(=O)O
[C][O][C][C][Branch1][C][C][Branch1][N][N][C][C][C][=N][C][=C][N][Ring1][Branch1][C][C][=Branch1][C][=O][O]
CCc1ccccc1C(O)CNc1ccccc1
[C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1]
CCOc1ccc(C)cc1C(=O)c1cccnc1
[C][C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1]
NCCC(OCc1ccccc1)c1ccccc1
[N][C][C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
Cc1ccc(C(C)(O)CNc2ccccc2)cc1
[C][C][=C][C][=C][Branch2][Ring1][C][C][Branch1][C][C][Branch1][C][O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P]
c1ccc(CCOCCNc2ccccc2)cc1
[C][=C][C][=C][Branch1][#C][C][C][O][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C]
CCC(O)(CNc1ccccc1)c1ccccc1
[C][C][C][Branch1][C][O][Branch1][O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
CC(C)(C)CC(C)(C)NC1(C(=O)O)CCCC1
[C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C][C][Ring1][Branch2]
CCCNC(CCOC(C)C)CC(F)(F)F
[C][C][C][N][C][Branch1][=Branch2][C][C][O][C][Branch1][C][C][C][C][C][Branch1][C][F][Branch1][C][F][F]
CC(N)(CCOc1ccccc1)c1ccccc1
[C][C][Branch1][C][N][Branch1][N][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
CC(C)CCC(N)CCCOCC(F)(F)F
[C][C][Branch1][C][C][C][C][C][Branch1][C][N][C][C][C][O][C][C][Branch1][C][F][Branch1][C][F][F]
NC(c1ccccc1)c1nc(C2CCCC2)c[nH]1
[N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][=C][NH1][Ring1][#Branch2]
NCC1CCCCCC1OCC1CCOCC1
[N][C][C][C][C][C][C][C][C][Ring1][#Branch1][O][C][C][C][C][O][C][C][Ring1][=Branch1]
Cc1cccc(C(C)(O)CNc2ccccc2)c1
[C][C][=C][C][=C][C][Branch2][Ring1][C][C][Branch1][C][C][Branch1][C][O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][P]
CCC(CC)(NC(C)C1CCCCC1)C(=O)O
[C][C][C][Branch1][Ring1][C][C][Branch1][=C][N][C][Branch1][C][C][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][O]
Cc1cccnc1C(=O)CCOc1ccccc1
[C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1]
CC1CCC(CN)C(OCC2CCOCC2)C1
[C][C][C][C][C][Branch1][Ring1][C][N][C][Branch1][O][O][C][C][C][C][O][C][C][Ring1][=Branch1][C][Ring1][S]
CCCN(C)C1(C(=O)O)CCC(C(C)C)CC1
[C][C][C][N][Branch1][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][C][C][Ring1][N]
CC1CCN(C2(C(=O)O)CCOCC2)C(C)C1
[C][C][C][C][N][Branch1][S][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][O][C][C][Ring1][=Branch2][C][Branch1][C][C][C][Ring1][S]
CC(c1ccccc1)C(O)CNc1ccccc1
[C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1]
CC(C)CC(C)(C(=O)O)N1CCC(C)CC1C
[C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][C]
Cc1ccccc1C(C)(O)CNc1ccccc1
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1]
CCC(C)CNC1(C(=O)O)CCCCCCC1
[C][C][C][Branch1][C][C][C][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C][C][C][C][C][Ring1][O]
CCC(NC(C)(CC)C(=O)O)C1CCCCC1
[C][C][C][Branch1][#C][N][C][Branch1][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][O][C][C][C][C][C][C][Ring1][=Branch1]
CCCNC(CCOC(C)C)c1cccs1
[C][C][C][N][C][Branch1][=Branch2][C][C][O][C][Branch1][C][C][C][C][=C][C][=C][S][Ring1][Branch1]
CCCCCCCC(C)(NC1CCC1)C(=O)O
[C][C][C][C][C][C][C][C][Branch1][C][C][Branch1][Branch2][N][C][C][C][C][Ring1][Ring2][C][=Branch1][C][=O][O]
CCCNC(CCOC(C)C)c1ccsc1
[C][C][C][N][C][Branch1][=Branch2][C][C][O][C][Branch1][C][C][C][C][C][=C][S][C][=Ring1][Branch1]
CC(C)C1CCC(NC(C)(C)C)(C(=O)O)CC1
[C][C][Branch1][C][C][C][C][C][C][Branch1][#Branch2][N][C][Branch1][C][C][Branch1][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][Ring1][=C]
CC(C)C1CCC(C(=O)O)(N(C)C(C)C)CC1
[C][C][Branch1][C][C][C][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][Branch1][#Branch2][N][Branch1][C][C][C][Branch1][C][C][C][C][C][Ring1][=C]
CC(C)(C)CC(C)(C)NC(C)(C(=O)O)C1CC1
[C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][N][C][Branch1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C][Ring1][Ring1]
CCNC(CCOC(C)C)Cc1cccs1
[C][C][N][C][Branch1][=Branch2][C][C][O][C][Branch1][C][C][C][C][C][=C][C][=C][S][Ring1][Branch1]
CCNCCC(C)OC1CC(C)CC(C)(C)C1
[C][C][N][C][C][C][Branch1][C][C][O][C][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][=Branch2]
CC(C)CCOCCC(N)Cc1cccs1
[C][C][Branch1][C][C][C][C][O][C][C][C][Branch1][C][N][C][C][=C][C][=C][S][Ring1][Branch1]
c1ccc(NCc2nc(C3CCCC3)c[nH]2)cc1
[C][=C][C][=C][Branch2][Ring1][Ring1][N][C][C][=N][C][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][=C][NH1][Ring1][#Branch2][C][=C][Ring2][Ring1][C]
CC(C)CNCCC(C)OC1CCCC(C)C1
[C][C][Branch1][C][C][C][N][C][C][C][Branch1][C][C][O][C][C][C][C][C][Branch1][C][C][C][Ring1][#Branch1]
CNC(CCOCCC(C)C)c1ccsc1
[C][N][C][Branch1][O][C][C][O][C][C][C][Branch1][C][C][C][C][C][=C][S][C][=Ring1][Branch1]
Cc1cccc(C(O)CNc2ccccc2)c1C
[C][C][=C][C][=C][C][Branch1][#C][C][Branch1][C][O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][S][C]
CCCCCCCCOC(C)CCNC1CC1
[C][C][C][C][C][C][C][C][O][C][Branch1][C][C][C][C][N][C][C][C][Ring1][Ring1]
CCCCCCC(C)OC(C)CCNC1CC1
[C][C][C][C][C][C][C][Branch1][C][C][O][C][Branch1][C][C][C][C][N][C][C][C][Ring1][Ring1]
CCCCOCCC(Cc1cccs1)NC
[C][C][C][C][O][C][C][C][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][N][C]
CCCCOCCC1(N)CC(C)CC(C)(C)C1
[C][C][C][C][O][C][C][C][Branch1][C][N][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch2]
CNC(CCOCCC(C)C)c1cccs1
[C][N][C][Branch1][O][C][C][O][C][C][C][Branch1][C][C][C][C][=C][C][=C][S][Ring1][Branch1]
CNC(CCOCCC(C)C)C1CCCCC1
[C][N][C][Branch1][O][C][C][O][C][C][C][Branch1][C][C][C][C][C][C][C][C][C][Ring1][=Branch1]
CCC(C)CNC1(C(=O)O)CCC(CC)CC1
[C][C][C][Branch1][C][C][C][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C][Branch1][Ring1][C][C][C][C][Ring1][O]
CCCCOCCC(NCC)c1ccsc1
[C][C][C][C][O][C][C][C][Branch1][Ring2][N][C][C][C][C][=C][S][C][=Ring1][Branch1]
CC(C)CCOCCC(N)C1CCC(C)CC1
[C][C][Branch1][C][C][C][C][O][C][C][C][Branch1][C][N][C][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1]
CCNC(CCOCCC(C)C)C1CCCC1
[C][C][N][C][Branch1][O][C][C][O][C][C][C][Branch1][C][C][C][C][C][C][C][C][Ring1][Branch1]
CCCCCCCC(C)(O)CNC1CCCC1
[C][C][C][C][C][C][C][C][Branch1][C][C][Branch1][C][O][C][N][C][C][C][C][C][Ring1][Branch1]
CCCCOCCC(NC)C1CCCC(C)C1
[C][C][C][C][O][C][C][C][Branch1][Ring1][N][C][C][C][C][C][C][Branch1][C][C][C][Ring1][#Branch1]
Cc1cc(Sc2cnnc(Cl)n2)n(C)n1
[C][C][C][=C][Branch1][=N][S][C][=C][N][=N][C][Branch1][C][Cl][=N][Ring1][#Branch1][N][Branch1][C][C][N][=Ring1][=C]
CCCCCCCC(O)CNC1CCCCC1
[C][C][C][C][C][C][C][C][Branch1][C][O][C][N][C][C][C][C][C][C][Ring1][=Branch1]
CN1CCCC(N(C)c2cnnc(Cl)n2)C1
[C][N][C][C][C][C][Branch1][S][N][Branch1][C][C][C][=C][N][=N][C][Branch1][C][Cl][=N][Ring1][#Branch1][C][Ring1][#C]
CC(C)OCCC1(N)CCCCC1C(C)(C)C
[C][C][Branch1][C][C][O][C][C][C][Branch1][C][N][C][C][C][C][C][Ring1][#Branch1][C][Branch1][C][C][Branch1][C][C][C]
CC1CCC(C(C)C)C(N)(CCOC(C)C)C1
[C][C][C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][N][Branch1][=Branch2][C][C][O][C][Branch1][C][C][C][C][Ring1][S]
CC(C)OCCC(C)(N)c1cccc(Cl)c1
[C][C][Branch1][C][C][O][C][C][C][Branch1][C][C][Branch1][C][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1]
CCOCCC1(N)CCC(C(C)(C)CC)CC1
[C][C][O][C][C][C][Branch1][C][N][C][C][C][Branch1][#Branch2][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Ring1][N]
CCCCOCCC(NC)C1CCC(C)CC1
[C][C][C][C][O][C][C][C][Branch1][Ring1][N][C][C][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1]
CCCCCCC(C)(O)CNC1CCCCC1
[C][C][C][C][C][C][C][Branch1][C][C][Branch1][C][O][C][N][C][C][C][C][C][C][Ring1][=Branch1]
CCCCOCCC(N)c1cccc(Cl)c1
[C][C][C][C][O][C][C][C][Branch1][C][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1]
CC(C)CNCC(C)COC1CCCC(C)C1
[C][C][Branch1][C][C][C][N][C][C][Branch1][C][C][C][O][C][C][C][C][C][Branch1][C][C][C][Ring1][#Branch1]
CNC(CCOC(C)C)c1ccc(Cl)cc1
[C][N][C][Branch1][=Branch2][C][C][O][C][Branch1][C][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
CCC(C)CC(O)(CC)CNC1CCCCC1
[C][C][C][Branch1][C][C][C][C][Branch1][C][O][Branch1][Ring1][C][C][C][N][C][C][C][C][C][C][Ring1][=Branch1]
CC(C)OCCC(C)(N)c1ccc(Cl)cc1
[C][C][Branch1][C][C][O][C][C][C][Branch1][C][C][Branch1][C][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
CCCCOCCC(NCCC)C1CCCC1
[C][C][C][C][O][C][C][C][Branch1][Branch1][N][C][C][C][C][C][C][C][C][Ring1][Branch1]
O=C(O)C1(Oc2cc(F)cc(F)c2)CCCC1
[O][=C][Branch1][C][O][C][Branch1][S][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][C][C][C][Ring1][=C]
CCCCOCCC(N)c1ccc(Cl)cc1
[C][C][C][C][O][C][C][C][Branch1][C][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
CC(Oc1cc(F)cc(F)c1)(C(=O)O)C1CC1
[C][C][Branch1][S][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C][Ring1][Ring1]
CNC(CCOC(C)C)c1ccccc1Cl
[C][N][C][Branch1][=Branch2][C][C][O][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl]
CC(C)CC(Nc1c[nH]nc1[N+](=O)[O-])C(=O)O
[C][C][Branch1][C][C][C][C][Branch1][=C][N][C][=C][NH1][N][=C][Ring1][Branch1][N+1][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O]
CCNCCC(C)Oc1ccc(C)cc1Cl
[C][C][N][C][C][C][Branch1][C][C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][Cl]
CCNCCC(C)OCc1ccccc1Cl
[C][C][N][C][C][C][Branch1][C][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl]
OC(CCOCC(F)(F)F)CC1CCCO1
[O][C][Branch1][=N][C][C][O][C][C][Branch1][C][F][Branch1][C][F][F][C][C][C][C][C][O][Ring1][Branch1]
CC1CCCC(OC(C)CCNC(C)(C)C)C1
[C][C][C][C][C][C][Branch1][P][O][C][Branch1][C][C][C][C][N][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][S]
CC(C)OCCC(=O)Cc1cc(F)cc(F)c1
[C][C][Branch1][C][C][O][C][C][C][=Branch1][C][=O][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2]
CCCCOCCC(=O)c1cc(F)cc(F)c1
[C][C][C][C][O][C][C][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2]
CCCCCCCC(C)(NC1CC1C)C(=O)O
[C][C][C][C][C][C][C][C][Branch1][C][C][Branch1][Branch2][N][C][C][C][Ring1][Ring1][C][C][=Branch1][C][=O][O]
[H]N=C(N)c1nccnc1OCCc1ccccc1
[H][N][=C][Branch1][C][N][C][=N][C][=C][N][=C][Ring1][=Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
CCCCOCCC(N)c1ccccc1Cl
[C][C][C][C][O][C][C][C][Branch1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl]
CCCCOCCC(=O)c1ccc(F)c(F)c1
[C][C][C][C][O][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2]
COC(=O)C(Nc1c[nH]nc1[N+](=O)[O-])C(C)C
[C][O][C][=Branch1][C][=O][C][Branch1][=C][N][C][=C][NH1][N][=C][Ring1][Branch1][N+1][=Branch1][C][=O][O-1][C][Branch1][C][C][C]
COCC(C)(Sc1ccccc1O)C(=O)O
[C][O][C][C][Branch1][C][C][Branch1][O][S][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][O]
CC(C)CCOCCC(N)C1CCCC(C)C1
[C][C][Branch1][C][C][C][C][O][C][C][C][Branch1][C][N][C][C][C][C][C][Branch1][C][C][C][Ring1][#Branch1]
CCCCC(CC)COC(C)CCNC1CC1
[C][C][C][C][C][Branch1][Ring1][C][C][C][O][C][Branch1][C][C][C][C][N][C][C][C][Ring1][Ring1]
CC(C)CCC(O)CCCOCC(F)(F)F
[C][C][Branch1][C][C][C][C][C][Branch1][C][O][C][C][C][O][C][C][Branch1][C][F][Branch1][C][F][F]
COCC(C)(CN)N(CC(F)(F)F)C(C)C
[C][O][C][C][Branch1][C][C][Branch1][Ring1][C][N][N][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][C][C]
COCC(C)(Sc1ccncc1N)C(=O)O
[C][O][C][C][Branch1][C][C][Branch1][O][S][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][O]
COCC(C)(OCC1CC=CCC1C)C(=O)O
[C][O][C][C][Branch1][C][C][Branch1][N][O][C][C][C][C][=C][C][C][Ring1][=Branch1][C][C][=Branch1][C][=O][O]
CC(C)OCCC(C)(N)c1ccccc1Cl
[C][C][Branch1][C][C][O][C][C][C][Branch1][C][C][Branch1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl]
COCC(C)(Sc1nccc(C)n1)C(=O)O
[C][O][C][C][Branch1][C][C][Branch1][=N][S][C][=N][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][C][=Branch1][C][=O][O]
COCC(C)(Sc1ccc(N)nc1)C(=O)O
[C][O][C][C][Branch1][C][C][Branch1][=N][S][C][=C][C][=C][Branch1][C][N][N][=C][Ring1][#Branch1][C][=Branch1][C][=O][O]
O=C(O)C1(NCCN2CCCC2)CCOCC1
[O][=C][Branch1][C][O][C][Branch1][O][N][C][C][N][C][C][C][C][Ring1][Branch1][C][C][O][C][C][Ring1][=C]
COCC(C)(C(=O)O)N1CCN(C2CC2)CC1
[C][O][C][C][Branch1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][C][Ring1][=Branch2]