molecule_smiles
stringlengths 1
1.82k
| SELFIES
stringlengths 3
6.66k
|
|---|---|
CCOC(=O)C(Cc1ccc(Nc2nccc3ccncc23)cc1)N=C1C(Br)C(=O)C12CCCCC2 | [C][C][O][C][=Branch1][C][=O][C][Branch2][Ring1][O][C][C][=C][C][=C][Branch1][S][N][C][=N][C][=C][C][=C][C][=N][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring1][P][N][=C][C][Branch1][C][Br][C][=Branch1][C][=O][C][Ring1][=Branch1][C][C][C][C][C][Ring1][=Branch1] |
CN1CCN(CC(=O)Nc2cc3c(cc2N2CCCCC2)n(C)c(=O)c(=O)n3C)CC1 | [C][N][C][C][N][Branch2][Ring2][=Branch2][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][C][=C][Ring1][=Branch1][N][C][C][C][C][C][Ring1][=Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][=Branch1][C][=O][N][Ring1][P][C][C][C][Ring2][Ring1][=C] |
COc1ccc2c(c1)nc([S+]([O-])Cc1ncc(C)c(OC)c1C)n2S(=O)(=O)c1ccc(OCC(=O)O)cc1 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][Branch2][Ring1][=Branch1][S+1][Branch1][C][O-1][C][C][=N][C][=C][Branch1][C][C][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2][C][N][Ring2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][O][C][C][=Branch1][C][=O][O][C][=C][Ring1][O] |
CCN(C)Cc1ccc(C2CC(=O)c3cc(OC)c(OC)cc3O2)cc1 | [C][C][N][Branch1][C][C][C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][C][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][O][Ring1][#C][C][=C][Ring2][Ring1][Branch1] |
CC1CC(C)(C)C2=NCCN21 | [C][C][C][C][Branch1][C][C][Branch1][C][C][C][=N][C][C][N][Ring1][Branch1][Ring1][#Branch2] |
O=c1cc(-c2ccc(OCCCc3cn(CCOCCOCCOc4ccc5c(=O)cc(-c6ccccc6)oc5c4)nn3)cc2)oc2cc(F)ccc12 | [O][=C][C][=C][Branch2][Branch1][S][C][=C][C][=C][Branch2][Branch1][Ring2][O][C][C][C][C][=C][N][Branch2][Ring2][Branch1][C][C][O][C][C][O][C][C][O][C][=C][C][=C][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][=N][=C][Ring1][P][N][=N][Ring2][Ring1][#C][C][=C][Ring2][Ring2][=Branch2][O][C][=C][C][Branch1][C][F][=C][C][=C][Ring2][Branch1][Ring2][Ring1][#Branch1] |
O=[N+]([O-])c1cc(NC2CCNC2)ccc1CO | [O][=N+1][Branch1][C][O-1][C][=C][C][Branch1][=Branch2][N][C][C][C][N][C][Ring1][Branch1][=C][C][=C][Ring1][N][C][O] |
Cc1cn2nc(-c3cc(=O)n4cc(N5CCNC6(CC6)C5)ccc4n3)cc(C)c2n1 | [C][C][=C][N][N][=C][Branch2][Ring2][Ring1][C][=C][C][=Branch1][C][=O][N][C][=C][Branch1][#C][N][C][C][N][C][Branch1][Branch1][C][C][Ring1][Ring1][C][Ring1][Branch2][C][=C][C][Ring1][=C][=N][Ring2][Ring1][Ring1][C][=C][Branch1][C][C][C][Ring2][Ring1][#Branch2][=N][Ring2][Ring1][=N] |
CC1NC(=O)C(CC(=O)O)NC1=O | [C][C][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][Ring1][O][=O] |
CCN1C(=O)N(c2c(F)c(OC)cc(OC)c2F)Cc2cnc3[nH]c(CN4CCOCC4)cc3c21 | [C][C][N][C][=Branch1][C][=O][N][Branch2][Ring1][Branch1][C][=C][Branch1][C][F][C][Branch1][Ring1][O][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][O][F][C][C][=C][N][=C][NH1][C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][=C][C][Ring1][N][=C][Ring1][S][Ring2][Ring1][P] |
N#CCS(=O)(=O)c1cccc[n+]1[O-] | [N][#C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=N+1][Ring1][=Branch1][O-1] |
CCCCCCC(=O)NC1CSSCC(C(=O)NC(Cc2ccc(O)cc2)C(=O)N2CC(C(N)=O)NC(=O)C2CCCN=C(N)N)NC(=O)C(CO)NC(=O)C([C@@H](C)CC)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(=O)O)NC(=O)C(CCCC)NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)C(C)NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2c[nH]cn2)NC1=O | [C][C][C][C][C][C][C][=Branch1][C][=O][N][C][C][S][S][C][C][Branch2][Branch1][Ring2][C][=Branch1][C][=O][N][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][Ring1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C@@H1][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][Branch1][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][C][=C][NH1][C][=N][Ring1][Branch1][N][C][Ring2][=Branch2][=Branch2][=O] |
Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCCN1CCN(C)CC1)c1nnc(C)n1-2 | [C][C][S][C][=C][Branch1][Branch1][C][=Ring1][Branch1][C][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][C@@H1][Branch2][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][C][C][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][=N][N][=C][Branch1][C][C][N][Ring1][=Branch1][Ring2][Ring2][C] |
CC1(C)C(=O)N2c3ccccc3C3(CC(N4C(=O)c5ccccc5C4=O)C(=O)O3)C2N1C(=O)OCc1ccccc1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][=C][C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=Branch1][C][=O][O][Ring1][P][C][Ring2][Ring1][=Branch2][N][Ring2][Ring1][=C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
NC(Cc1ccc(OC[18F])cc1)C(=O)O | [N][C][Branch1][#C][C][C][=C][C][=C][Branch1][Ring2][O][C][18F][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][O] |
C=C1S/C(=N\c2c(C)cccc2Cl)N(C(=O)c2sc3ccccc3c2Cl)C12CCCCC2 | [C][=C][S][/C][=Branch1][=C][=N][\C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][Cl][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][Cl][C][Ring2][Ring1][#Branch2][C][C][C][C][C][Ring1][=Branch1] |
NC(=O)c1ccn(-c2cnc(NC[C@]3(c4ncccc4F)C[C@H](F)C3)nc2)c1 | [N][C][=Branch1][C][=O][C][C][=C][N][Branch2][Ring2][Ring1][C][=C][N][=C][Branch2][Ring1][#Branch1][N][C][C@][Branch1][#Branch2][C][=N][C][=C][C][=C][Ring1][=Branch1][F][C][C@H1][Branch1][C][F][C][Ring1][N][N][=C][Ring2][Ring1][Ring2][C][=Ring2][Ring1][=Branch2] |
O=c1[nH]c(C(F)(F)C(F)(F)C(F)(F)F)no1 | [O][=C][NH1][C][Branch2][Ring1][#Branch1][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][F][=N][O][Ring1][#C] |
[131Cs] | [131Cs] |
CCN(CC)Cc1cccc(/C=C/C(=O)c2cc(OC)c(OC)cc2O)c1 | [C][C][N][Branch1][Ring1][C][C][C][C][=C][C][=C][C][Branch2][Ring1][Branch2][/C][=C][/C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][O][=C][Ring2][Ring1][Branch1] |
CCOC(=O)C12CCC(NCC(=O)N3C[C@@H](F)C[C@H]3C#N)(CC1)CC2 | [C][C][O][C][=Branch1][C][=O][C][C][C][C][Branch2][Ring1][Ring1][N][C][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][F][C][C@H1][Ring1][=Branch1][C][#N][Branch1][=Branch1][C][C][Ring2][Ring1][C][C][C][Ring2][Ring1][Ring2] |
CN(CCC#N)c1ccc(/C=C(\C#N)c2cccc(C(F)(F)F)c2)cc1 | [C][N][Branch1][Branch1][C][C][C][#N][C][=C][C][=C][Branch2][Ring1][=Branch2][/C][=C][Branch1][Ring1][\C][#N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2] |
C[C@@H]1OC(=O)NC1C(=O)NC(Cc1cscn1)C(=O)N1CCC[C@H]1C | [C][C@@H1][O][C][=Branch1][C][=O][N][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][C][=C][S][C][=N][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C] |
CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)OC(C)[C@H](C)[C@@H]3O | [C][C][C][C][=C][C][=Branch1][C][=O][O][C][=C][C][=Branch2][Ring1][=Branch1][=C][C][=Branch1][=Branch1][=C][Ring1][O][Ring1][=Branch1][O][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][=Branch2][O][C][Branch1][C][C][C@H1][Branch1][C][C][C@@H1][Ring1][P][O] |
Cc1nc2c(O[C@H]3CCOc4cc(F)cc(F)c43)cc(C(=O)N(C)C)cc2[nH]1 | [C][C][=N][C][=C][Branch2][Ring1][=Branch1][O][C@H1][C][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][Ring1][N][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][Ring2][Ring1][Branch2][NH1][Ring2][Ring1][O] |
Cc1nc2nc(C(F)(F)F)[nH]c2nc1C | [C][C][=N][C][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][NH1][C][=Ring1][=Branch2][N][=C][Ring1][=N][C] |
CCN(CC)Cc1ccc(C2CC(=O)c3cc(OC)c(OC)cc3O2)cc1 | [C][C][N][Branch1][Ring1][C][C][C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][C][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][O][Ring1][#C][C][=C][Ring2][Ring1][Branch1] |
C[C@H](Nc1ccc(C#N)n(C)c1=O)c1cc2cc(Cl)ccc2[nH]c1=O | [C][C@H1][Branch2][Ring1][C][N][C][=C][C][=C][Branch1][Ring1][C][#N][N][Branch1][C][C][C][Ring1][=Branch2][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][NH1][C][Ring1][O][=O] |
C=C(C)C/N=C/C1(C)CCC(C)=CO1 | [C][=C][Branch1][C][C][C][/N][=C][/C][Branch1][C][C][C][C][C][Branch1][C][C][=C][O][Ring1][Branch2] |
CCOC(=O)C(COC(=O)Cc1ccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)c(C(=O)N(C)C)c1)(C(=O)OCC)c1ccccc1 | [C][C][O][C][=Branch1][C][=O][C][Branch2][Branch1][=C][C][O][C][=Branch1][C][=O][C][C][=C][C][=C][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][Ring2][Ring1][=C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
Cc1nnc(-n2cccc2)s1 | [C][C][=N][N][=C][Branch1][Branch2][N][C][=C][C][=C][Ring1][Branch1][S][Ring1][#Branch2] |
O=C1c2cccc(Oc3ccccc3)c2C(=O)c2cccc(Oc3ccccc3)c21 | [O][=C][C][=C][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N][Ring2][Ring1][=N] |
CC(C(=O)Nc1ccc(Cl)cc1)C1CCC(c2ccnc3ccc(F)cc23)CC1 | [C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][C][C][Branch2][Ring1][C][C][=C][C][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][O][Ring1][#Branch1][C][C][Ring1][P] |
CC(C)Oc1ncc(-c2nc(-c3cccc4c3ccn4CCCC(=O)O)no2)cc1Cl | [C][C][Branch1][C][C][O][C][=N][C][=C][Branch2][Ring1][P][C][=N][C][Branch2][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][N][Ring1][Branch1][C][C][C][C][=Branch1][C][=O][O][=N][O][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][#Branch2][Cl] |
Cc1[nH]c2ccnn2c(=O)c1CCc1ccccc1 | [C][C][NH1][C][=C][C][=N][N][Ring1][Branch1][C][=Branch1][C][=O][C][=Ring1][#Branch2][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CC(C)N(C(=O)c1cccc([N+](=O)[O-])c1)C(C)C | [C][C][Branch1][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][C][Branch1][C][C][C] |
Cc1[nH]ncc1-c1cc2[nH]c([C@@H]3CC4CCN3CC4)nc(=O)c2s1 | [C][C][NH1][N][=C][C][=Ring1][Branch1][C][=C][C][NH1][C][Branch1][=N][C@@H1][C][C][C][C][N][Ring1][=Branch1][C][C][Ring1][=Branch1][=N][C][=Branch1][C][=O][C][=Ring1][#C][S][Ring2][Ring1][C] |
CN1C(=O)CC[C@@]2(C)C1=CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O | [C][N][C][=Branch1][C][=O][C][C][C@@][Branch1][C][C][C][Ring1][Branch2][=C][C][C@@H1][C@@H1][Ring1][#Branch1][C][C][C@@][Branch1][C][C][C@H1][Ring1][#Branch1][C][C][C@][Ring1][=Branch1][Branch1][C][C][O] |
C[C@H](Oc1ccc(-c2nc(-c3ccc4[nH]cnc4c3)no2)cc1C(F)(F)F)C(F)(F)F | [C][C@H1][Branch2][Ring2][N][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=N][C][Branch1][=C][C][=C][C][=C][NH1][C][=N][C][Ring1][Branch1][=C][Ring1][=Branch2][=N][O][Ring1][=C][C][=C][Ring2][Ring1][Ring2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F] |
CCCOc1ccc(S(=O)(=O)N2CCN(CCO)CC2)cc1-c1nc(=O)c2c([nH]1)c(CCC)cn2CC | [C][C][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][Ring2][C][C][O][C][C][Ring1][=Branch2][C][=C][Ring2][Ring1][C][C][=N][C][=Branch1][C][=O][C][=C][Branch1][Ring2][NH1][Ring1][#Branch1][C][Branch1][Ring2][C][C][C][=C][N][Ring1][=Branch2][C][C] |
CC(=NO)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=NO)CC[C@]4(C)[C@H]3[C@@](C)(O)C[C@]12C | [C][C][=Branch1][Ring1][=N][O][C@H1][C][C][C@H1][C@@H1][C][C][C@@H1][C][C][=Branch1][Ring1][=N][O][C][C][C@][Ring1][Branch2][Branch1][C][C][C@H1][Ring1][=N][C@@][Branch1][C][C][Branch1][C][O][C][C@][Ring2][Ring1][=Branch1][Ring2][Ring1][Ring1][C] |
CCCCC(NC(C)=O)C(=O)NC1CC(=O)NCCCCC(C(N)=O)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C2CCCN2C(=O)C2SCCN2C(=O)C(Cc2c[nH]cn2)NC1=O | [C][C][C][C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][S][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][Branch1][=Branch2][C][C][=C][NH1][C][=N][Ring1][Branch1][N][C][Ring2][Branch1][Branch1][=O] |
C[C@]12CC[C@@H]3C4=C(CC[C@H]3[C@@H]1C[C@H]1O[C@@H](c3ccco3)O[C@]12C(=O)C[18F])CC(=O)CC4 | [C][C@][C][C][C@@H1][C][=C][Branch2][Ring2][Ring1][C][C][C@H1][Ring1][=Branch1][C@@H1][Ring1][#Branch2][C][C@H1][O][C@@H1][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][C@][Ring1][#Branch2][Ring2][Ring1][Branch1][C][=Branch1][C][=O][C][18F][C][C][=Branch1][C][=O][C][C][Ring2][Ring1][#Branch2] |
Cc1n[nH]c2nc(N)nn2c1=O | [C][C][=N][NH1][C][=N][C][Branch1][C][N][=N][N][Ring1][=Branch1][C][Ring1][#Branch2][=O] |
O=C(/C=C/c1ccccc1)CC(c1ccccc1)N1CCOCC1 | [O][=C][Branch1][O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][O][C][C][Ring1][=Branch1] |
C=C(C#N)C(=O)OCCC(C)C | [C][=C][Branch1][Ring1][C][#N][C][=Branch1][C][=O][O][C][C][C][Branch1][C][C][C] |
CSc1c(N(C)C)c(=O)c1=S | [C][S][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=Branch1][C][=O][C][Ring1][Branch2][=S] |
C(=C/CSc1ccccn1)\CSc1ccccn1 | [C][=Branch1][N][=C][/C][S][C][=C][C][=C][C][=N][Ring1][=Branch1][\C][S][C][=C][C][=C][C][=N][Ring1][=Branch1] |
O=C(NCc1ccc(Oc2ccccc2)cc1)c1nc(-c2cc(Br)c(O)c(Br)c2)no1 | [O][=C][Branch2][Ring1][=Branch1][N][C][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][C][=N][C][Branch2][Ring1][C][C][=C][C][Branch1][C][Br][=C][Branch1][C][O][C][Branch1][C][Br][=C][Ring1][=Branch2][=N][O][Ring1][=C] |
C[C@@H](C1CC1)N1Cc2cc(-c3cc(C(=O)N(C)C)no3)cc(Cl)c2C1=O | [C][C@@H1][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][C][C][=C][C][Branch2][Ring1][Ring1][C][=C][C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=N][O][Ring1][#Branch2][=C][C][Branch1][C][Cl][=C][Ring1][P][C][Ring2][Ring1][Ring2][=O] |
COC[C@@H]1[C@@H](c2ccc(Cl)c(Cl)c2)C[C@@H]2CC[C@H]1N2C | [C][O][C][C@@H1][C@@H1][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][C@@H1][C][C][C@H1][Ring1][#C][N][Ring1][Branch1][C] |
COc1c(C)cnc(Cn2cc(C#CCCOP(=O)(O)O)c3c(Cl)nc(N)nc32)c1C | [C][O][C][=C][Branch1][C][C][C][=N][C][Branch2][Ring2][Branch1][C][N][C][=C][Branch1][=C][C][#C][C][C][O][P][=Branch1][C][=O][Branch1][C][O][O][C][=C][Branch1][C][Cl][N][=C][Branch1][C][N][N][=C][Ring1][Branch2][Ring2][Ring1][Ring2][=C][Ring2][Ring1][N][C] |
COc1cc2occ(-c3ccc(CN4CCCCC4)cc3)c(=O)c2cc1OC | [C][O][C][=C][C][O][C][=C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][=N][C][=Branch1][C][=O][C][=Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][Branch2][O][C] |
COc1cc(F)c(C(C)C)cc1C1=C(CN2C(=O)O[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]2C)CC(C)(C)CC1 | [C][O][C][=C][C][Branch1][C][F][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][C][=C][Branch2][Ring2][=N][C][N][C][=Branch1][C][=O][O][C@H1][Branch2][Ring1][=N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C][C@@H1][Ring2][Ring1][Ring2][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring1][=C] |
[O-]/[N+](=C\c1ccccc1)CC1(O)CCCCC1 | [O-1][/N+1][=Branch1][#Branch2][=C][\C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][C][O][C][C][C][C][C][Ring1][#Branch1] |
COc1ccc(-c2cc(=O)c3c(OC)cc(OCC(=O)O)cc3o2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][S][C][=C][C][=Branch1][C][=O][C][=C][Branch1][Ring1][O][C][C][=C][Branch1][Branch2][O][C][C][=Branch1][C][=O][O][C][=C][Ring1][=N][O][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2][O][C] |
C[C@@H](c1cc(Cl)cc2ccccc12)N(C)C(=O)CC1(c2ccc(F)cc2)CCN(C)CC1 | [C][C@@H1][Branch2][Ring1][C][C][=C][C][Branch1][C][Cl][=C][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][N][Branch1][C][C][C][C][Ring1][=C] |
CCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)C(C)NC(=O)CCC(NC(=O)C(C)NC(=O)C(C)O[C@H](C(C=O)NC(C)=O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO)C(N)=O)OC(=O)CCCCCCCCCCCCCCC | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C@H1][Branch2][#Branch1][#C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][Branch2][=Branch1][Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][O][C@H1][Branch1][N][C][Branch1][Ring1][C][=O][N][C][Branch1][C][C][=O][C@H1][Branch2][Ring1][#Branch2][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][N][C][Branch1][C][C][=O][C@H1][Branch1][C][O][C][O][C][Branch1][C][N][=O][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C] |
O=C1CSC(c2cccs2)N1c1nncs1 | [O][=C][C][S][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][Ring1][#Branch2][C][=N][N][=C][S][Ring1][Branch1] |
CCC(C)c1cnc(CC(C)C)c(=O)n1O | [C][C][C][Branch1][C][C][C][=C][N][=C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][Ring1][O][O] |
CN1CCN(C(=O)C2C(C(=O)O)[C@H]3CC[C@@H]2O3)CC1 | [C][N][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C@H1][C][C][C@@H1][Ring1][=Branch2][O][Ring1][Branch1][C][C][Ring2][Ring1][C] |
C[C@@H]1N=C(N)N=C(N(C)C)N1 | [C][C@@H1][N][=C][Branch1][C][N][N][=C][Branch1][=Branch1][N][Branch1][C][C][C][N][Ring1][#Branch2] |
CNC(=O)OCn1c(O)c2c(c1O)CC=CC2 | [C][N][C][=Branch1][C][=O][O][C][N][C][Branch1][C][O][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][C][C][=C][C][Ring1][Branch2] |
O=[As]1(O)c2ccccc2-c2ccccc21 | [O][=As][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C] |
CN(C)CCCNC(=O)/C(=C/CCCCC(O)=NO)COc1cccc2ccccc12 | [C][N][Branch1][C][C][C][C][C][N][C][=Branch1][C][=O][/C][=Branch1][N][=C][/C][C][C][C][C][Branch1][C][O][=N][O][C][O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] |
CS/C(=C\c1ccc(C(=O)c2ccc(C)cc2)n1C)[S+](C)[O-] | [C][S][/C][=Branch2][Ring1][O][=C][\C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][Ring1][=C][C][S+1][Branch1][C][C][O-1] |
O=[N+]([O-])c1ccc(/C=C\c2ccncc2)cc1 | [O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch1][O][/C][=C][\C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][=C] |
O=C(O)CCCCCCC[C@@H](O)[C@@H](O)CCCCCCO | [O][=C][Branch1][C][O][C][C][C][C][C][C][C][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][C][C][C][C][C][C][O] |
COc1cc2c(cc1OC)C(=O)CC(c1cccc(CN3CCCC3)c1)O2 | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][C][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][N][C][C][C][C][Ring1][Branch1][=C][Ring1][N][O][Ring2][Ring1][#Branch1] |
CCc1noc2cc(-c3ccccc3)n(C)c(=O)c12 | [C][C][C][=N][O][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][Ring1][P][=Ring1][=C] |
C[C@H]1CNC(=O)c2cnn3ccc(nc23)N[C@H](C)c2cc(F)ccc2O1 | [C][C@H1][C][N][C][=Branch1][C][=O][C][C][=N][N][C][=C][C][=Branch1][#Branch1][=N][C][=Ring1][=Branch2][Ring1][=Branch1][N][C@H1][Branch1][C][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][O][Ring2][Ring1][=Branch2] |
C=CCN1CCN(c2ccncc2S(=O)(=O)N2CCN(C)CC2)CC1 | [C][=C][C][N][C][C][N][Branch2][Ring1][O][C][=C][C][=N][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][C][Ring2][Ring1][=Branch1] |
N=C(N)N=C(N)N | [N][=C][Branch1][C][N][N][=C][Branch1][C][N][N] |
COc1c2c(cc3c1[C@@H]1Oc4c(ccc(O)c4CC=C(C)C)[C@@H]1CO3)OC(C)(C)C=C2 | [C][O][C][=C][C][=Branch2][Ring2][Ring2][=C][C][=C][Ring1][=Branch1][C@@H1][O][C][=C][Branch1][P][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][C][=C][Branch1][C][C][C][C@@H1][Ring1][#C][C][O][Ring2][Ring1][Ring1][O][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][N] |
COc1cc2c(=O)n3c4c(cccc4c2cc1OC)CC3 | [C][O][C][=C][C][C][=Branch1][C][=O][N][C][=C][Branch1][S][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][=C][Ring1][#C][O][C][C][C][Ring1][=C] |
COc1ccc2c(c1O)-c1c(OC)c(OC)cc3c1C(C2)N(C)CC3 | [C][O][C][=C][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][#Branch2][C][Branch1][Ring2][C][Ring1][S][N][Branch1][C][C][C][C][Ring1][Branch2] |
CC(C)CC(NC(=O)C(NC(=O)C(CO)NC(=O)C1CCCN1C(=O)C(CC(C)C)NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(N)Cc1c[nH]c2ccccc12)C(C)O)C(C)O)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCC(=O)O)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)O | [C][C][Branch1][C][C][C][C][Branch2][#Branch2][#C][N][C][=Branch1][C][=O][C][Branch2][=Branch2][P][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch2][Ring2][=C][N][C][=Branch1][C][=O][C][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][C][N][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Branch1][C][C][O][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][O] |
CCOC(=O)C(C)(C)NP(=O)(NC(C)(C)C(=O)OCC)c1ccc(-c2nc(N)sc2C(=O)C(C)(C)C)o1 | [C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][N][P][=Branch1][C][=O][Branch1][S][N][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][N][=C][Branch1][C][N][S][C][=Ring1][=Branch1][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][O][Ring1][P] |
O=C(c1cccnc1)c1cc(-c2ccccn2)c(=O)n2ccccc12 | [O][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Ring1][P][Ring1][=Branch1] |
Cl/N=C1/C=CC=C/C1=N/Cl | [Cl][/N][=C][/C][=C][C][=C][/C][Ring1][=Branch1][=N][/Cl] |
Cc1cccc2c(OC(=O)N(CCOCCO)CCN(C)C(=O)OCc3ccc(NC(=O)C(CCCNC(N)=O)NC(=O)C(NC(=O)OCCOCCN4C(=O)C=CC4=O)C(C)C)cc3)cc3c(c12)[C@H](CCl)CN3C(=O)c1cn2cc(NC(=O)c3ccc(O)cc3)ccc2n1 | [C][C][=C][C][=C][C][=C][Branch2][#Branch1][N][O][C][=Branch1][C][=O][N][Branch1][#Branch1][C][C][O][C][C][O][C][C][N][Branch1][C][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][Branch2][Branch1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][C][N][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][O][C][C][O][C][C][N][C][=Branch1][C][=O][C][=C][C][Ring1][=Branch1][=O][C][Branch1][C][C][C][C][=C][Ring2][Ring2][Branch2][C][=C][C][=Branch1][Branch2][=C][Ring2][=Branch1][Ring2][Ring2][Branch1][S][C@H1][Branch1][Ring1][C][Cl][C][N][Ring1][Branch2][C][=Branch1][C][=O][C][=C][N][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][Ring1][S][=N][Ring2][Ring1][Ring1] |
CCNc1nn2ccccc2c1/C=C(/C#N)C(=O)OCC | [C][C][N][C][=N][N][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][=Branch2][/C][=C][Branch1][Ring1][/C][#N][C][=Branch1][C][=O][O][C][C] |
[2H]C([2H])([2H])[N+](CCO)(C([2H])([2H])[2H])C([2H])([2H])[2H] | [2H][C][Branch1][C][2H][Branch1][C][2H][N+1][Branch1][Ring2][C][C][O][Branch1][=Branch2][C][Branch1][C][2H][Branch1][C][2H][2H][C][Branch1][C][2H][Branch1][C][2H][2H] |
CC(=O)Oc1ccccc1C(=O)OC1=CC[C@H]2[C@H]3Cc4ccc(OC(=O)c5ccccc5OC(C)=O)c5c4[C@@]2(CCN3C)[C@H]1O5 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][C@H1][C@H1][C][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][=O][C][=C][Ring2][Ring1][Ring1][C@@][Ring2][Ring1][#Branch1][Branch1][Branch2][C][C][N][Ring2][Ring1][=Branch2][C][C@H1][Ring2][Ring1][#C][O][Ring1][=Branch2] |
Cc1ccc2c(c1)sc1nncn12 | [C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][S][C][=N][N][=C][N][Ring1][Branch1][Ring1][=Branch2] |
CCCCCCCCCCCCOC(=O)CCCc1nc2cc(N(CCCl)CCCl)ccc2n1C | [C][C][C][C][C][C][C][C][C][C][C][C][O][C][=Branch1][C][=O][C][C][C][C][=N][C][=C][C][Branch1][#Branch2][N][Branch1][Ring2][C][C][Cl][C][C][Cl][=C][C][=C][Ring1][=N][N][Ring1][S][C] |
Cc1oc2c(c(C)nn2-c2ccccc2)c(=O)c1Cl | [C][C][O][C][=C][Branch1][P][C][Branch1][C][C][=N][N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][P][Cl] |
CN(C)P(=O)(N(C)C)N1CC1 | [C][N][Branch1][C][C][P][=Branch1][C][=O][Branch1][=Branch1][N][Branch1][C][C][C][N][C][C][Ring1][Ring1] |
Clc1ccc(COc2cncc(-c3cnn(C4CCNCC4)c3)c2)cc1 | [Cl][C][=C][C][=C][Branch2][Ring1][#C][C][O][C][=C][N][=C][C][Branch2][Ring1][C][C][C][=N][N][Branch1][=Branch2][C][C][C][N][C][C][Ring1][=Branch1][C][=Ring1][O][=C][Ring1][P][C][=C][Ring2][Ring1][=Branch2] |
O=C(O)CCC(NC(=O)NC(CCCCNC(=O)c1ccc([18F])nc1)C(=O)O)C(=O)O | [O][=C][Branch1][C][O][C][C][C][Branch2][Ring2][Ring2][N][C][=Branch1][C][=O][N][C][Branch2][Ring1][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][18F][N][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O] |
CC(C)Oc1ccc(-c2nc(O[C@@H]3CC4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6(C)CC6)C[C@H]5/C=C\CCCCCC(NC(=O)OC5CCCC5)C(=O)N4C3)c3oc4ccccc4c3n2)cc1 | [C][C][Branch1][C][C][O][C][=C][C][=C][Branch2][#Branch1][S][C][=N][C][Branch2][=Branch1][=Branch2][O][C@@H1][C][C][C][=Branch1][C][=O][N][C@][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][C][C][C][Ring1][Ring2][C][C@H1][Ring1][=N][/C][=C][\C][C][C][C][C][C][Branch1][=C][N][C][=Branch1][C][=O][O][C][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][Ring2][Ring2][Branch1][C][Ring2][Ring2][Branch2][=C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][=N][Ring2][Branch1][=Branch1][C][=C][Ring2][Branch1][N] |
COc1ccc(C(=O)O[C@H]2CC[C@@]3(C)[C@@H]4CC[C@H]5[C@]6(O)C[C@H](O)[C@@]7(O)[C@@H](CN8C[C@@H](C)CC[C@H]8[C@@]7(C)O)[C@]6(O)C[C@@]53OC24O)cc1OC | [C][O][C][=C][C][=C][Branch2][=Branch1][=N][C][=Branch1][C][=O][O][C@H1][C][C][C@@][Branch1][C][C][C@@H1][C][C][C@H1][C@][Branch1][C][O][C][C@H1][Branch1][C][O][C@@][Branch1][C][O][C@@H1][Branch2][Ring1][Ring2][C][N][C][C@@H1][Branch1][C][C][C][C][C@H1][Ring1][#Branch1][C@@][Ring1][N][Branch1][C][C][O][C@][Ring2][Ring1][Ring2][Branch1][C][O][C][C@@][Ring2][Ring1][Branch2][Ring2][Ring1][=N][O][C][Ring2][Ring2][C][Ring2][Ring1][=N][O][C][=C][Ring2][Ring2][N][O][C] |
C#CC1(O)CCC2C3CCC4=Cc5oncc5CC4(C)C3CCC21C | [C][#C][C][Branch1][C][O][C][C][C][C][C][C][C][=C][C][O][N][=C][C][=Ring1][Branch1][C][C][Ring1][=Branch2][Branch1][C][C][C][Ring1][=C][C][C][C][Ring2][Ring1][C][Ring2][Ring1][=Branch1][C] |
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC=C(C)C=Cc1c(C)c(O)c2ccccc2c1O | [C][C][Branch1][C][C][=C][C][C][/C][Branch1][C][C][=C][/C][C][/C][Branch1][C][C][=C][/C][C][/C][Branch1][C][C][=C][/C][C][=C][Branch1][C][C][C][=C][C][=C][Branch1][C][C][C][Branch1][C][O][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][N][O] |
O=C(OC1CCCC1)C(NCc1ccc(CCC(O)=NO)nc1)C1CCCCC1 | [O][=C][Branch1][=Branch2][O][C][C][C][C][C][Ring1][Branch1][C][Branch2][Ring1][Branch1][N][C][C][=C][C][=C][Branch1][=Branch2][C][C][C][Branch1][C][O][=N][O][N][=C][Ring1][N][C][C][C][C][C][C][Ring1][=Branch1] |
CC1(C)CC(=C(c2ccc(O)cc2)c2ccc(C(=O)O)cc2)CC(C)(C)C1 | [C][C][Branch1][C][C][C][C][=Branch2][Ring1][=C][=C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][#Branch2] |
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC(N)C(=O)O)OC(=O)CCCCCCCCCCCCCCCCC | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C@H1][Branch2][Ring1][Branch1][C][O][P][=Branch1][C][=O][Branch1][C][O][O][C][C][Branch1][C][N][C][=Branch1][C][=O][O][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C] |
C/C1=C/C[C@@H](/C(C)=C/c2cc(C)on2)OC(=O)C[C@H](O)C(C)(C)C(=O)C(C)[C@@H](O)[C@@H](C)/C=C\C1 | [C][/C][=C][/C][C@@H1][Branch1][S][/C][Branch1][C][C][=C][/C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][O][C][=Branch1][C][=O][C][C@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][C][C][C@@H1][Branch1][C][O][C@@H1][Branch1][C][C][/C][=C][\C][Ring2][Ring1][P] |
O=[N+]([O-])c1ccccc1/C=C/C=NN=Cc1ccccc1O | [O][=N+1][Branch1][C][O-1][C][=C][C][=C][C][=C][Ring1][=Branch1][/C][=C][/C][=N][N][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O] |
O=C1C=CC(=O)N1c1ccc(I)cc1Cl | [O][=C][C][=C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1][Cl] |