molecule_smiles
stringlengths
1
1.82k
SELFIES
stringlengths
3
6.66k
Fc1cc(-c2cccc(-c3nc[nH]n3)c2)cc(F)c1CNC1Cc2ccccc2C1
[F][C][=C][C][Branch2][Ring1][C][C][=C][C][=C][C][Branch1][Branch2][C][N][=C][NH1][N][=Ring1][Branch1][=C][Ring1][O][=C][C][Branch1][C][F][=C][Ring2][Ring1][C][C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2]
O=C(O)CN1C(=O)C(NC(=O)C2(CC(CCc3cccc4ccccc34)C(=O)O)CCCC2)CCc2ccccc21
[O][=C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][Branch2][Ring2][#Branch2][N][C][=Branch1][C][=O][C][Branch2][Ring1][#Branch2][C][C][Branch1][P][C][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][C][C][Ring2][Ring1][=Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring2][Branch1]
Cc1cc(N)c2cc(NC(=O)/C=C\c3ccccc3Cl)ccc2n1
[C][C][=C][C][Branch1][C][N][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][/C][=C][\C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][C][Ring2][Ring1][C][=N][Ring2][Ring1][#Branch1]
COc1ccc(-c2cc(-c3ccccc3)c(-c3ccccc3)nn2)cc1
[C][O][C][=C][C][=C][Branch2][Ring1][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2]
N#Cc1nnn2c1nc(N)c1c(Cl)cccc12
[N][#C][C][N][=N][N][C][=Ring1][Branch1][N][=C][Branch1][C][N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Ring1][N]
O=C1CCC(N2C(=O)c3cccc(CNC(=O)C4CC4)c3C2=O)C(=O)N1
[O][=C][C][C][C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][N][C][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][=C][Ring1][=N][C][Ring1][P][=O][C][=Branch1][C][=O][N][Ring2][Ring1][=Branch2]
Cc1ccc(S(=O)(=O)N2CCC(=N)N2)cc1
[C][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=Branch1][C][=N][N][Ring1][=Branch1][C][=C][Ring1][#C]
CC(C)OC(=O)CNc1cccc(CN(Cc2ccc(-n3cccn3)cc2)S(=O)(=O)c2cccnc2)n1
[C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][N][C][=C][C][=C][C][Branch2][Ring2][#Branch1][C][N][Branch2][Ring1][Ring1][C][C][=C][C][=C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][C][=C][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring2][Ring1][=N]
Cc1ccc(S(=O)(=O)NO)o1
[C][C][=C][C][=C][Branch1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][O][O][Ring1][#Branch2]
CC#CC(=O)N[C@H]1CCCN(c2c(F)cc(C(N)=O)c3[nH]c(C)c(C)c23)C1
[C][C][#C][C][=Branch1][C][=O][N][C@H1][C][C][C][N][Branch2][Ring1][=C][C][=C][Branch1][C][F][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][NH1][C][Branch1][C][C][=C][Branch1][C][C][C][Ring1][#C][=Ring1][#Branch1][C][Ring2][Ring1][Branch1]
COCN1C(=O)N(COC)C(=O)C(c2ccccc2)(c2ccccc2)C1=O
[C][O][C][N][C][=Branch1][C][=O][N][Branch1][Ring2][C][O][C][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][#Branch1][=O]
N=C(N)NCCCC(NC(=O)C(CCC(N)=O)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC1CCCCC1)NC(=O)C(Cc1c(F)c(F)c(F)c(F)c1F)NC(=O)C(CO)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CO)NC(=O)C(N)Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)NC(CCCN=C(N)N)C(=O)O
[N][=C][Branch1][C][N][N][C][C][C][C][Branch2][=N][=N][N][C][=Branch1][C][=O][C][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch2][Ring1][#Branch1][C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][#Branch2][F][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][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][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][Branch1][C][N][C][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][C][=Branch1][C][=O][O]
COc1cc(F)ccc1-c1c(C)sc2cnc(Nc3cnn(C4CCNCC4)c3)nc12
[C][O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=C][Branch1][C][C][S][C][=C][N][=C][Branch2][Ring1][Ring1][N][C][C][=N][N][Branch1][=Branch2][C][C][C][N][C][C][Ring1][=Branch1][C][=Ring1][O][N][=C][Ring2][Ring1][=Branch1][Ring2][Ring1][C]
CN1C2CCC1[C@@H](COC(=O)c1ccccc1)[C@@H](O)C2
[C][N][C][C][C][C][Ring1][Branch1][C@@H1][Branch1][#C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][C][O][C][Ring2][Ring1][C]
O=C(CNC(=O)c1ccc(C2=NO[C@@](c3cc(Cl)cc(C(F)(F)F)c3)(C(F)(F)F)C2)c2ccccc12)NCC(F)(F)F
[O][=C][Branch2][=Branch1][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][O][C][=N][O][C@@][Branch2][Ring1][=Branch1][C][=C][C][Branch1][C][Cl][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Ring2][Ring1][Ring2][C][=C][C][=C][C][=C][Ring2][Ring1][=C][Ring1][=Branch1][N][C][C][Branch1][C][F][Branch1][C][F][F]
CCCC[C@@](C)(CO)Nc1nc(N)nc2cc(F)cnc12
[C][C][C][C][C@@][Branch1][C][C][Branch1][Ring1][C][O][N][C][=N][C][Branch1][C][N][=N][C][=C][C][Branch1][C][F][=C][N][=C][Ring1][N][Ring1][#Branch1]
OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](n3cc(-c4cccc(F)c4)nn3)[C@H]2O)[C@H](O)[C@@H](n2cc(-c3cccc(F)c3)nn2)[C@H]1O
[O][C][C@H1][O][C@@H1][Branch2][Ring2][#Branch2][S][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@H1][Branch2][Ring1][Branch1][N][C][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][=N][Ring1][N][C@H1][Ring2][Ring1][Branch1][O][C@H1][Branch1][C][O][C@@H1][Branch2][Ring1][Branch1][N][C][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][=N][Ring1][N][C@H1][Ring2][Ring2][#Branch2][O]
Cc1ccccc1-n1c(/C=C\c2ccccn2)nc2ccccc2c1=O
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][O][/C][=C][\C][=C][C][=C][C][=N][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][C][=O]
O=c1cc(NCCCN[C@@H]2CCOc3c(Br)cc(Br)cc32)[nH]c2ccsc12
[O][=C][C][=C][Branch2][Ring1][#Branch2][N][C][C][C][N][C@@H1][C][C][O][C][=C][Branch1][C][Br][C][=C][Branch1][C][Br][C][=C][Ring1][Branch2][Ring1][N][NH1][C][C][=C][S][C][Ring2][Ring1][#Branch2][=Ring1][Branch1]
C[C@]1(CS(=O)(=O)N2CCC(Oc3ccc(Cl)cn3)CC2)NC(=O)NC1=O
[C][C@][Branch2][Ring1][#C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][=N][O][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][C][Ring1][=C][N][C][=Branch1][C][=O][N][C][Ring2][Ring1][Branch2][=O]
CC(C)C(C)(C)C
[C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C]
CC(=O)Nc1ccc(S(=O)(=O)N/N=c2/sc3ccccc3n2C)cc1N
[C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][/N][=C][/S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][Ring2][Ring1][Branch1][N]
CN(NC(=O)C(=O)NCc1ccco1)C(=O)NC1CCCCC1
[C][N][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1]
O=S(=O)(c1ccc2c(c1)CCCN2)N1CCC[C@H]2CCCC[C@@H]21
[O][=S][=Branch1][C][=O][Branch1][P][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][N][Ring1][#Branch1][N][C][C][C][C@H1][C][C][C][C][C@@H1][Ring1][=Branch1][Ring1][#Branch2]
Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2cc3c(cn2)[C@@H]2C(C(=O)O)[C@@H]2C3)c1
[C][C][=C][C][Branch1][=N][O][C][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][=C][C][Branch1][C][C][=C][Ring1][#C][C][=C][C][=C][C][Branch2][Ring1][N][C][O][C][=C][C][=C][Branch1][Branch1][C][=N][Ring1][=Branch1][C@@H1][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C@@H1][Ring1][=Branch1][C][Ring1][O][=C][Ring2][Ring1][Branch1]
CCOC(=O)c1cc(-c2cccnc2)nc2c(Cl)cc(Cl)cc12
[C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Cl][C][=C][Ring2][Ring1][C][Ring1][Branch2]
CC(C)=CCC/C(C)=C\C(N)=O
[C][C][Branch1][C][C][=C][C][C][/C][Branch1][C][C][=C][\C][Branch1][C][N][=O]
Cc1ccc(NC(=O)NNC(=O)CSC2CCc3ccccc32)c(C)c1
[C][C][=C][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][C][S][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][Branch1][C][C][=C][Ring2][Ring1][=Branch2]
CCOc1ccc(Cc2cc([C@@]34OC[C@@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1F
[C][C][O][C][=C][C][=C][Branch2][Ring2][Branch2][C][C][=C][C][Branch2][Ring1][#Branch2][C@@][O][C][C@@][Branch1][Ring1][C][O][Branch1][Ring2][O][Ring1][#Branch1][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][N][O][=C][C][=C][Ring2][Ring1][Ring1][Cl][C][=C][Ring2][Ring1][O][F]
C[N+](C)(C)CCOP(=O)([O-])OCCCCCCCCCCCCCCCCCCc1ccc([124I])cc1
[C][N+1][Branch1][C][C][Branch1][C][C][C][C][O][P][=Branch1][C][=O][Branch1][C][O-1][O][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=C][C][=C][Branch1][C][124I][C][=C][Ring1][#Branch1]
C=c1c(N)c(O)c2c(c1O)N1C[C@H]3[C@H](N3C(=O)OCc3ccc(SSCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)cc3)[C@]1(OC)C=2COC(N)=O
[C][=C][C][Branch1][C][N][=C][Branch1][C][O][C][C][=Branch1][Branch1][=C][Ring1][Branch2][O][N][C][C@H1][C@H1][Branch2][=Branch1][#Branch2][N][Ring1][Ring1][C][=Branch1][C][=O][O][C][C][=C][C][=C][Branch2][Branch1][Branch1][S][S][C][C][Branch2][Ring1][Branch2][C][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=C][Ring2][Branch1][Ring1][C@][Ring2][Branch1][=N][Branch1][Ring1][O][C][C][=Ring2][=Branch1][Ring2][C][O][C][Branch1][C][N][=O]
CC1(C)C(/C=C/C2=C(Oc3ccc(S(=O)(=O)O)cc3)/C(=C/C=C3/N(CCCCS(=O)(=O)O)c4ccc(S(=O)(=O)[O-])cc4C3(C)C)CCC2)=[N+](CCCCS(=O)(=O)O)c2ccc(S(=O)(=O)O)cc21
[C][C][Branch1][C][C][C][Branch2][=Branch1][P][/C][=C][/C][=C][Branch2][Ring1][Ring2][O][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][Ring1][#Branch2][/C][=Branch2][Ring2][=N][=C][/C][=C][/N][Branch1][=N][C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][C][=C][Ring1][#Branch2][C][Ring2][Ring1][Branch1][Branch1][C][C][C][C][C][C][Ring2][Ring2][#Branch2][=N+1][Branch1][=N][C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][Ring1][#Branch2][Ring2][=Branch1][C]
Cn1nc(C(F)(F)C(F)(F)F)c(C(F)(F)F)c1-n1cc(-c2ccc(Cl)c(C(=O)NC3(C#N)CC3)c2)cn1
[C][N][N][=C][Branch1][S][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][S][N][C][=C][Branch2][Ring1][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][#C][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][#N][C][C][Ring1][Branch1][=C][Ring1][#C][C][=N][Ring2][Ring1][Ring2]
NC(=O)c1nc2c([nH]c1=O)CCCC2
[N][C][=Branch1][C][=O][C][=N][C][=C][Branch1][=Branch1][NH1][C][Ring1][=Branch1][=O][C][C][C][C][Ring1][=Branch2]
Cc1occc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12
[C][C][O][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=N][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring2][Ring1][Ring2][Ring1][=Branch1]
COC1OC(O)C(NC(=O)C(F)(F)F)CC1O
[C][O][C][O][C][Branch1][C][O][C][Branch1][=C][N][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][=C][O]
COc1c(C)cc2c(c1O)[C@@H]1[C@@H]3Cc4c(OC(C)=O)c(C)c5c(c4[C@H](CNC(=O)/C=C/c4cccc(C(F)(F)F)c4)N3[C@@H](O)[C@H](C2)N1C)OCO5
[C][O][C][=C][Branch1][C][C][C][=C][C][=Branch1][Branch1][=C][Ring1][#Branch1][O][C@@H1][C@@H1][C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Branch1][C][C][=C][C][=Branch2][Branch1][=Branch1][=C][Ring1][O][C@H1][Branch2][Ring1][O][C][N][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][N][Ring2][Ring1][#C][C@@H1][Branch1][C][O][C@H1][Branch1][Branch1][C][Ring2][Ring2][Branch2][N][Ring2][Ring2][Branch1][C][O][C][O][Ring2][Ring1][=C]
C/C(=N\NC(N)=O)c1ccc(Cl)c(-n2cccc2)c1
[C][/C][=Branch1][Branch2][=N][\N][C][Branch1][C][N][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][Branch2][N][C][=C][C][=C][Ring1][Branch1][=C][Ring1][N]
C[C@@H](O)C1NC(=O)C(CCCCN)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2cccc3ccccc23)NC(=O)C(NC(=O)C(Cc2ccccc2)NC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CSSCC(C(=O)N[C@H](CO)[C@@H](C)O)NC1=O
[C][C@@H1][Branch1][C][O][C][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][C][C][C][N][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][S][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch2][Branch1][#C][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][Ring2][Ring1][Branch2][C][S][S][C][C][Branch1][S][C][=Branch1][C][=O][N][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][C][O][N][C][Ring2][Branch2][C][=O]
N=C(N)NCc1ccc(OCCC[18F])c(Br)c1
[N][=C][Branch1][C][N][N][C][C][=C][C][=C][Branch1][=Branch1][O][C][C][C][18F][C][Branch1][C][Br][=C][Ring1][N]
N#CCCNc1nonc1-c1nc2ccccc2n1CC(=O)c1ccc(NC(=O)C(N)CCCCN)cc1
[N][#C][C][C][N][C][=N][O][N][=C][Ring1][Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][C][Branch1][C][N][C][C][C][C][N][C][=C][Ring1][S]
C[C@@H](OP(=O)(N1CC1)N1CC1)c1ccc([N+](=O)[O-])c(Oc2cccc(C(=O)N(C)C)c2)c1
[C][C@@H1][Branch2][Ring1][C][O][P][=Branch1][C][=O][Branch1][=Branch1][N][C][C][Ring1][Ring1][N][C][C][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch2][Ring1][Branch1][O][C][=C][C][=C][C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][Ring1][O][=C][Ring2][Ring1][Branch1]
COC1C=CC=C(C)C(=O)Nc2cc(O)c(N)c(c2O)C=C(C)CC(OC)C(O)C(C)/C=C(\C)C1OC(N)=O
[C][O][C][C][=C][C][=C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][O][=C][Branch1][C][N][C][=Branch1][Branch1][=C][Ring1][Branch2][O][C][=C][Branch1][C][C][C][C][Branch1][Ring1][O][C][C][Branch1][C][O][C][Branch1][C][C][/C][=C][Branch1][C][\C][C][Ring2][Ring1][P][O][C][Branch1][C][N][=O]
CCCCCCCCCCCCCCCC(=O)NC(CCC(=O)NCCCCC(NC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)CNC(=O)C(CCC(N)=O)NC(=O)C(CO)NC(=O)C(N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(=O)NC(CO)C(=O)NC(CCC(=O)O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)NC(CO)C(=O)NC(CCC(=O)O)C(=O)NC(CCCN=C(N)N)C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(=O)O)C(=O)NC(Cc1ccccc1)C(=O)NC(C(=O)NC(C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(C)C(=O)NCC(=O)NCC(=O)O)C(C)C)C(=O)O
[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C][Branch3][Ring1][O][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Branch2][=Branch2][=Branch1][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][Branch2][=Branch1][S][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][P][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][Branch1][C][N][C][C][=C][NH1][C][=N][Ring1][Branch1][C@@H1][Branch1][C][C][O][C@@H1][Branch1][C][C][O][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][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][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][O][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][C][C][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][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch2][#Branch1][#Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][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][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][=Branch1][C][=O][O]
COc1ccc2c(c1)C13CCN(C)C(C2)C1CCC1(C3)OCCO1
[C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][N][Branch1][C][C][C][Branch1][Ring2][C][Ring1][#Branch2][C][Ring1][Branch2][C][C][C][Branch1][Ring2][C][Ring1][N][O][C][C][O][Ring1][=Branch1]
O=[As](O)(c1ccc(Cl)cc1)C1CCCCC1O
[O][=As][Branch1][C][O][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][C][C][C][C][Ring1][=Branch1][O]
Cc1nnn(C)c1-c1cnc2c3ccc(C(C)(C)O)cc3n([C@H](c3ccccc3)C3CCOCC3)c2c1
[C][C][N][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][=C][N][=C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][O][C][=C][Ring1][#Branch2][N][Branch2][Ring1][Ring2][C@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][O][C][C][Ring1][=Branch1][C][Ring2][Ring1][#Branch2][=C][Ring2][Ring1][=C]
C[n+]1cn([C@@H]2O[C@H](CO[P@@](=O)(S)OP(=O)(O)OP(=O)([O-])O)[C@@H](O)[C@H]2O)c2c1C(O)N=C(N)N2
[C][N+1][=C][N][Branch2][Ring2][#Branch2][C@@H1][O][C@H1][Branch2][Ring1][O][C][O][P@@][=Branch1][C][=O][Branch1][C][S][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O-1][O][C@@H1][Branch1][C][O][C@H1][Ring2][Ring1][Ring2][O][C][=C][Ring2][Ring1][#Branch2][C][Branch1][C][O][N][=C][Branch1][C][N][N][Ring1][Branch2]
COc1cc(C=NNc2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)ccc1O
[C][O][C][=C][C][Branch2][Ring1][=N][C][=N][N][C][=N][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Ring1][#Branch2][NH1][Ring1][=N][=C][C][=C][Ring2][Ring1][=Branch1][O]
C[C@@H]1CCc2ncc(F)cc2[C@H]2CCCN2c2ccn3ncc(c3n2)C(=O)N1
[C][C@@H1][C][C][C][=N][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C@H1][C][C][C][N][Ring1][Branch1][C][C][=C][N][N][=C][C][=Branch1][#Branch1][=C][Ring1][Branch1][N][=Ring1][=Branch2][C][=Branch1][C][=O][N][Ring2][Ring1][O]
CC[C@H](Nc1ncnc2[nH]cnc12)c1oc2ccccc2c(=O)c1-c1cccc(F)c1
[C][C][C@H1][Branch1][#C][N][C][=N][C][=N][C][NH1][C][=N][C][Ring1][=Branch2][=Ring1][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1]
CSCCC(NC=O)C(=O)NC(CCCN=C(N)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CC(C)(C)O2)C(=O)NC(C(=O)NCC(=O)NC(CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)NP(=O)(OCCCN)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)[C@@H](C)OC(C)(C)C
[C][S][C][C][C][Branch1][Ring2][N][C][=O][C][=Branch1][C][=O][N][C][Branch2][Ring2][=N][C][C][C][N][=C][Branch1][C][N][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][C][C][C][Branch1][C][C][=C][C][=Branch1][Branch1][=C][Ring1][Branch2][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2][C][=Branch1][C][=O][N][C][Branch2][=Branch2][=Branch2][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][Branch2][Ring2][Ring2][C][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][P][=Branch1][C][=O][Branch1][=Branch1][O][C][C][C][N][O][C][C@H1][O][C@@H1][Branch1][P][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][C@H1][Branch1][C][O][C@@H1][Ring1][S][O][C@@H1][Branch1][C][C][O][C][Branch1][C][C][Branch1][C][C][C]
Cc1nc([C@H]2CC[C@H]3[C@@H]4CC=C5CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)cs1
[C][C][=N][C][Branch2][Ring2][C][C@H1][C][C][C@H1][C@@H1][C][C][=C][C][C][=Branch1][C][=O][C][C][C@][Ring1][#Branch1][Branch1][C][C][C@H1][Ring1][N][C][C][C@][Ring2][Ring1][Ring1][Ring1][S][C][=C][S][Ring2][Ring1][=Branch2]
CC1=NCC(C)c2ccccc21
[C][C][=N][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O]
Cn1[nH]cc(C=NC(N)=O)c1=O
[C][N][NH1][C][=C][Branch1][Branch2][C][=N][C][Branch1][C][N][=O][C][Ring1][#Branch2][=O]
Cc1csc(/N=N/c2ccc(N(C)C)cc2)[n+]1[O-]
[C][C][=C][S][C][Branch2][Ring1][C][/N][=N][/C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][=N+1][Ring1][S][O-1]
C=C(C)Cn1c(O)c(C)s/c1=N/N=c1/scc(O)n1C
[C][=C][Branch1][C][C][C][N][C][Branch1][C][O][=C][Branch1][C][C][S][/C][Ring1][#Branch1][=N][/N][=C][/S][C][=C][Branch1][C][O][N][Ring1][=Branch1][C]
NC(=O)N/N=C1\CC2CC1C1C=CCC21
[N][C][=Branch1][C][=O][N][/N][=C][\C][C][C][C][Ring1][Branch1][C][C][=C][C][C][Ring1][Branch2][Ring1][Branch1]
CN1C2=C3C(=O)c4ccccc4C(=O)C3C1c1ccccc1C2=O
[C][N][C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][N][C][Ring1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Branch1][=O]
CC(=O)C1CC[C@H]2[C@@H]3CC=C4CC(=O)C=C[C@]4(C)C3C(=O)C[C@]12C
[C][C][=Branch1][C][=O][C][C][C][C@H1][C@@H1][C][C][=C][C][C][=Branch1][C][=O][C][=C][C@][Ring1][#Branch1][Branch1][C][C][C][Ring1][N][C][=Branch1][C][=O][C][C@][Ring2][Ring1][Ring2][Ring1][P][C]
COc1ccc(Cc2oc(=O)[nH]c2O)cc1C(=O)NCc1ccc(C(F)(F)F)cc1
[C][O][C][=C][C][=C][Branch1][=N][C][C][O][C][=Branch1][C][=O][NH1][C][=Ring1][=Branch1][O][C][=C][Ring1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2]
CCCc1c(OCc2ccc([C@H](O)c3cccc(C(=O)O)c3)cc2)ccc(C(C)=O)c1O
[C][C][C][C][=C][Branch2][Ring1][P][O][C][C][=C][C][=C][Branch2][Ring1][Ring2][C@H1][Branch1][C][O][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2][C][=C][Ring1][P][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Ring2][Ring1][N][O]
Cc1ccc(S(=O)(=O)CCOC(=O)CNC(=O)OCc2ccccc2)cc1
[C][C][=C][C][=C][Branch2][Ring1][#C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch2]
COC(=O)C1=C(C)N=C(C)C(C(=O)OC)C(n2c(O)ccc2O)C1
[C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][=C][Branch1][C][C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Branch1][N][N][C][Branch1][C][O][=C][C][=C][Ring1][=Branch1][O][C][Ring2][Ring1][Ring2]
O=C(O)/C=C\C(=O)Nc1ccc(-c2ccccc2)cc1
[O][=C][Branch1][C][O][/C][=C][\C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N]
COc1ccc(C2CC(=O)c3c(O)cc(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)cc3O2)cc1O
[C][O][C][=C][C][=C][Branch2][Branch1][S][C][C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][Branch2][Ring2][#Branch1][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O][C][O][C][Branch1][C][C][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][=Branch2][O][C][=C][Ring2][Ring1][=N][O][Ring2][Ring2][C][C][=C][Ring2][Ring2][Branch2][O]
c1ccc(C2CC(C3CC(c4ccccc4)OC(c4ccccc4)C3)CC(c3ccccc3)O2)cc1
[C][=C][C][=C][Branch2][Branch1][Ring2][C][C][C][Branch2][Ring1][=C][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring2][Ring1][=C][C][=C][Ring2][Ring2][Ring2]
COc1ccc2c3c([nH]c2c1)[C@H]1C[C@H]2[C@H](C[C@@H](O)[C@H](OC)[C@H]2CO)CN1CC3
[C][O][C][=C][C][=C][C][=C][Branch1][Branch2][NH1][C][Ring1][Branch1][=C][Ring1][=Branch2][C@H1][C][C@H1][C@H1][Branch1][S][C][C@@H1][Branch1][C][O][C@H1][Branch1][Ring1][O][C][C@H1][Ring1][=Branch2][C][O][C][N][Ring1][#C][C][C][Ring2][Ring1][=Branch1]
O=C(/C=C\c1ccc2ccccc2n1)c1cc(Cl)ccc1O
[O][=C][Branch1][P][/C][=C][\C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O]
C1C2CC3C1C3/C2=N\N=C1/C2CC3C(C2)C13
[C][C][C][C][C][Ring1][Branch1][C][Ring1][Ring1][/C][Ring1][=Branch1][=N][\N][=C][/C][C][C][C][Branch1][Ring2][C][Ring1][Branch1][C][Ring1][#Branch1][Ring1][Ring2]
COc1ccc(C(C)=O)cc1CO/N=C1\CSCc2ccccc21
[C][O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2][C][O][/N][=C][\C][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2]
O=C1N=C2C=CC=CN2C12Cc1ccccc1C2
[O][=C][N][=C][C][=C][C][=C][N][Ring1][=Branch1][C][Ring1][=Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2]
CCc1c2c(nc3ccc(OC(=O)N4CCC(CCn5ccc6cc(-n7c(-c8cc(C(C)C)c(O)cc8O)n[nH]c7=O)ccc65)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC
[C][C][C][=C][C][=Branch2][#Branch1][Ring2][=N][C][=C][C][=C][Branch2][=Branch1][Ring2][O][C][=Branch1][C][=O][N][C][C][C][Branch2][Branch1][Ring1][C][C][N][C][=C][C][=C][C][Branch2][Ring1][#C][N][C][Branch2][Ring1][Ring2][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch2][O][=N][NH1][C][Ring1][S][=O][=C][C][=C][Ring2][Ring1][#Branch1][Ring2][Ring1][#Branch2][C][C][Ring2][Ring2][C][C][=C][Ring2][Ring2][#C][Ring2][Ring2][O][C][=C][C][=C][Branch1][N][C][=Branch1][C][=O][N][Ring1][#Branch1][C][Ring2][Branch1][=Branch1][C][O][C][=Branch1][C][=O][C@][Ring1][O][Branch1][C][O][C][C]
CCOC(=O)C(C#N)C(=N)C1C(=O)OC2CCCCC21
[C][C][O][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][C][=Branch1][C][=N][C][C][=Branch1][C][=O][O][C][C][C][C][C][C][Ring1][=Branch1][Ring1][#Branch2]
C=CCOC(=O)/C=C\C(=O)NC(N)=O
[C][=C][C][O][C][=Branch1][C][=O][/C][=C][\C][=Branch1][C][=O][N][C][Branch1][C][N][=O]
COc1cc2occ(-c3cccc(CN4CCCC4)c3)c(=O)c2cc1OC
[C][O][C][=C][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][C][=Branch1][C][=O][C][=Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][#Branch1][O][C]
Cc1nc2ccccc2c(N)c1-c1cc(C)c2c(C)nc3ccccc3c2n1
[C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=C][Ring1][O][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=N][Ring1][S]
C/C=C\C[C@@H](CCC=NC(=O)C(=NC(=O)CCC=C/C(C)=C/[C@H](C)[C@@H]1CC=C(OC)C(=O)O1)C(C)(C)C)OC(N)=O
[C][/C][=C][\C][C@@H1][Branch2][Branch1][=Branch1][C][C][C][=N][C][=Branch1][C][=O][C][=Branch2][Ring2][C][=N][C][=Branch1][C][=O][C][C][C][=C][/C][Branch1][C][C][=C][/C@H1][Branch1][C][C][C@@H1][C][C][=C][Branch1][Ring1][O][C][C][=Branch1][C][=O][O][Ring1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][O][C][Branch1][C][N][=O]
CC[C@@H](C)C(NC(=O)C(CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C1CN=C([C@@H](N)[C@@H](C)CC)S1)C(=O)NC1CCCCNC(=O)C(CC(N)=O)NC(=O)C(CC(=O)O)NC(=O)C(Cc2c[nH]cn2)NC(=O)C(Cc2ccccc2)NC(=O)C([C@H](C)CC)NC(=O)C(CCCN)NC1=O
[C][C][C@@H1][Branch1][C][C][C][Branch2][Branch1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][N][=C][Branch1][O][C@@H1][Branch1][C][N][C@@H1][Branch1][C][C][C][C][S][Ring1][O][C][=Branch1][C][=O][N][C][C][C][C][C][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][C][=C][NH1][C][=N][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][Branch1][#Branch1][C@H1][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][Branch1][Branch1][C][C][C][N][N][C][Ring2][Branch1][N][=O]
COC(=O)C1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@@H](OC(=O)CC(C)=O)[C@@H]1OC
[C][O][C][=Branch1][C][=O][C][C@H1][C][C@@H1][C][NH1][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C][=Ring1][O][C][C][N][Ring1][#C][C][C@H1][Ring2][Ring1][Ring1][C][C@@H1][Branch1][N][O][C][=Branch1][C][=O][C][C][Branch1][C][C][=O][C@@H1][Ring2][Ring1][=C][O][C]