Datasets:

HoangHa

/

molenet-selfies-pretrain

like 0

C=CC1=C(C(=O)O)N2C(=O)C(=NC(=O)C(NOCC(=O)O)c3csc(N)n3)C2SC1

[C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][=Branch2][Ring1][O][=N][C][=Branch1][C][=O][C][Branch1][=Branch2][N][O][C][C][=Branch1][C][=O][O][C][=C][S][C][Branch1][C][N][=N][Ring1][=Branch1][C][Ring2][Ring1][Branch1][S][C][Ring2][Ring1][N]

COCc1c(-c2ccc(F)cc2)c(=CCC(O)CC(O)CC(=O)O)c(C(C)C)nc1=C(C)C

[C][O][C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch2][Ring1][C][=C][C][C][Branch1][C][O][C][C][Branch1][C][O][C][C][=Branch1][C][=O][O][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][C][Ring2][Ring1][O][=C][Branch1][C][C][C]

O=C(O)COCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1

[O][=C][Branch1][C][O][C][O][C][C][N][C][C][N][Branch2][Ring1][#Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][Ring2]

CC(C)C1NC(=O)C(CCCCN)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(Cc2ccccc2)N(C)C(=O)C(CCSCC(=O)NCC(N)C(=O)NC(CCCCN)C(=O)NC(CS)C(=O)NC(CCCCN)C(N)=O)NC1=O

[C][C][Branch1][C][C][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][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][Branch2][Branch1][Branch2][C][C][S][C][C][=Branch1][C][=O][N][C][C][Branch1][C][N][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][S][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][C][C][C][N][C][Branch1][C][N][=O][N][C][Ring2][#Branch1][O][=O]

CC1OC2(CS1)CN1CCC2CC1

[C][C][O][C][Branch1][Branch1][C][S][Ring1][Branch1][C][N][C][C][C][Ring1][Branch2][C][C][Ring1][=Branch1]

CC(=O)[C@@]1(O)CC[C@H]2C3=CC(C)=C4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C

[C][C][=Branch1][C][=O][C@@][Branch1][C][O][C][C][C@H1][C][=C][C][Branch1][C][C][=C][C][C][=Branch1][C][=O][C][C][C@][Ring1][#Branch1][Branch1][C][C][C@H1][Ring1][=N][C][C][C@@][Ring1][P][Ring2][Ring1][Branch1][C]

COc1ccc(CC(C)(C)NCC(O)c2cc(O)cc3c2OCC(=O)N3)cc1

[C][O][C][=C][C][=C][Branch2][Ring2][Ring1][C][C][Branch1][C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][O][C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=C][Ring2][Ring1][#Branch2]

CCCCCOc1ccc(-c2ccc(-c3ccc(C(=O)NC4C[C@@H](O)[C@@H](O)NC(=O)C5[C@@H](O)[C@@H](C)CN5C(=O)C([C@@H](C)O)NC(=O)C([C@H](O)[C@@H](O)c5ccc(O)cc5)NC(=O)C5C[C@@H](O)CN5C(=O)C([C@@H](C)O)NC4=O)cc3)cc2)cc1

[C][C][C][C][C][O][C][=C][C][=C][Branch2][#Branch2][Ring1][C][=C][C][=C][Branch2][=Branch2][#Branch1][C][=C][C][=C][Branch2][Branch2][O][C][=Branch1][C][=O][N][C][C][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][N][C][=Branch1][C][=O][C][C@@H1][Branch1][C][O][C@@H1][Branch1][C][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][C][Branch1][=Branch1][C@@H1][Branch1][C][C][O][N][C][=Branch1][C][=O][C][Branch2][Ring1][Ring2][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C@@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][Branch1][=Branch1][C@@H1][Branch1][C][C][O][N][C][Ring2][Branch1][=Branch1][=O][C][=C][Ring2][Branch1][S][C][=C][Ring2][=Branch1][=Branch1][C][=C][Ring2][=Branch1][N]

CN=C1CN(O)C(c2ccccc2)=c2cc(Cl)ccc2=N1

[C][N][=C][C][N][Branch1][C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Branch1][C][Cl][C][=C][C][Ring1][#Branch1][=N][Ring2][Ring1][Ring1]

Nc1ccncc1

[N][C][=C][C][=N][C][=C][Ring1][=Branch1]

CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12

[C][C][N][Branch1][Ring1][C][C][C][C][C][C][Branch1][C][C][N][C][=C][C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][O][Ring1][#Branch1]

NS(=O)(=O)c1cc2c(cc1Cl)N=CNS2(=O)=O

[N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][Cl][N][=C][N][S][Ring1][=Branch2][=Branch1][C][=O][=O]

CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1

[C][N][Branch1][C][C][C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1]

CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21

[C][N][Branch1][C][C][C][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][#C]

CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1

[C][C][C][N][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]

O=P(O)(O)C(O)P(=O)(O)O

[O][=P][Branch1][C][O][Branch1][C][O][C][Branch1][C][O][P][=Branch1][C][=O][Branch1][C][O][O]

NS(=O)(=O)c1cc(C2(O)NC(=O)c3ccccc32)ccc1Cl

[N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Ring2][C][Branch1][C][O][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][=C][C][=C][Ring1][P][Cl]

O=c1[nH]c2cc(Cl)ccc2o1

[O][=C][NH1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][Ring1][#Branch2]

[Se]

[Se]

Cc1cc(C2CCCCC2)n(O)c(=O)c1

[C][C][C][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][N][Branch1][C][O][C][=Branch1][C][=O][C][=Ring1][=C]

CCOC(=O)C(CCc1ccccc1)NC1CCCN2CCCC(C(=O)O)N2C1=O

[C][C][O][C][=Branch1][C][=O][C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][N][C][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][Ring1][=Branch2][C][Ring1][=C][=O]

O=C1CCc2cc(OCCCCc3nnnn3C3CCCCC3)ccc2N1

[O][=C][C][C][C][=C][C][Branch2][Ring1][Branch1][O][C][C][C][C][C][=N][N][=N][N][Ring1][Branch1][C][C][C][C][C][C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][=Branch1][N][Ring2][Ring1][#Branch2]

CN=C(NC#N)NCCSCc1[nH]cnc1C

[C][N][=C][Branch1][Ring2][N][C][#N][N][C][C][S][C][C][NH1][C][=N][C][=Ring1][Branch1][C]

CCn1nc(C(=O)O)c(=O)c2cc3c(cc21)OCO3

[C][C][N][N][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][Ring1][=C][O][C][O][Ring1][#Branch1]

O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O

[O][=C][Branch1][C][O][C][=C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=C][C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][=C][Branch1][C][F][C][=C][Ring1][=N][C][Ring2][Ring1][Ring2][=O]

CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21

[C][N][Branch1][C][C][C][C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][C][C][=C][C][Branch1][Ring1][C][#N][=C][C][=C][Ring1][Branch2][Ring2][Ring1][C]

CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1

[C][C][C][C][=N][C][=C][Branch1][C][C][C][=C][Branch1][#C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][Ring1][P][N][Ring2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][#C]

CN1CCCC1CCOC(C)(c1ccccc1)c1ccc(Cl)cc1

[C][N][C][C][C][C][Ring1][Branch1][C][C][O][C][Branch1][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]

CCCC1CC(C(=O)NC(C(C)Cl)C2OC(SC)C(O)C(O)C2O)N(C)C1

[C][C][C][C][C][C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][Branch1][C][C][Cl][C][O][C][Branch1][Ring1][S][C][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O][N][Branch1][C][C][C][Ring2][Ring1][Branch2]

CN1C(=O)CC(=O)N(c2ccccc2)c2cc(Cl)ccc21

[C][N][C][=Branch1][C][=O][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring2][Ring1][Ring2]

CCC(=O)OC1(C(=O)CCl)C(C)CC2C3CC=C4CC(=O)C=CC4(C)C3(F)C(O)CC21C

[C][C][C][=Branch1][C][=O][O][C][Branch1][#Branch1][C][=Branch1][C][=O][C][Cl][C][Branch1][C][C][C][C][C][C][C][=C][C][C][=Branch1][C][=O][C][=C][C][Ring1][#Branch1][Branch1][C][C][C][Ring1][N][Branch1][C][F][C][Branch1][C][O][C][C][Ring2][Ring1][C][Ring2][Ring1][#Branch2][C]

CCCC(=O)OC1(C(=O)CCl)C(C)CC2C3CC=C4CC(=O)C=CC4(C)C3(F)C(=O)CC21C

[C][C][C][C][=Branch1][C][=O][O][C][Branch1][#Branch1][C][=Branch1][C][=O][C][Cl][C][Branch1][C][C][C][C][C][C][C][=C][C][C][=Branch1][C][=O][C][=C][C][Ring1][#Branch1][Branch1][C][C][C][Ring1][N][Branch1][C][F][C][=Branch1][C][=O][C][C][Ring2][Ring1][C][Ring2][Ring1][#Branch2][C]

CC(C)N=c1cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1

[C][C][Branch1][C][C][N][=C][C][=C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][P][C][=C][Ring2][Ring1][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]

CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1

[C][C][N][Branch1][Ring1][C][C][C][C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][=N][=C][Branch1][C][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1]

CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21

[C][N][Branch1][C][C][C][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][S]

O=C1CN=C(c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2N1

[O][=C][C][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][N][Ring2][Ring1][Branch1]

Clc1cccc(Cl)c1NC1=NCCN1

[Cl][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][C][=N][C][C][N][Ring1][Branch1]

CNc1c(O)[nH]c2c(O)[nH]c(c3cc(cc(O)c3Cl)oc3ccc1cc3O)=C(O)NC1C(=O)NC3C(=O)NC(C(=O)NC(C(=O)NCCCN(C)C)c4cc(O)cc(O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)c4-c4cc3ccc4O)[C@H](O)c3ccc(c(Cl)c3)Oc3cc1cc(c3O[C@@H]1OC(C(=O)O)[C@@H](O)[C@H](O)[C@H]1NC(=O)CCCCCCCCC(C)C)Oc1ccc(cc1)C2

[C][N][C][=C][Branch1][C][O][NH1][C][=C][Branch1][C][O][NH1][C][Branch2][Ring1][N][C][=C][C][=Branch1][#Branch2][=C][C][Branch1][C][O][=C][Ring1][#Branch1][Cl][O][C][=C][C][=C][Ring2][Ring1][=Branch1][C][=C][Ring1][=Branch1][O][=C][Branch1][C][O][N][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][Branch2][=Branch1][Branch1][C][=Branch1][C][=O][N][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][N][Branch1][C][C][C][C][=C][C][Branch1][C][O][=C][C][Branch2][Ring1][Branch1][O][C@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Ring1][#Branch2][O][=C][Ring2][Ring1][Ring1][C][=C][C][Ring2][Ring2][Branch2][=C][C][=C][Ring1][=Branch1][O][C@H1][Branch1][C][O][C][=C][C][=C][Branch1][Branch2][C][Branch1][C][Cl][=C][Ring1][#Branch1][O][C][=C][C][Ring2][Branch1][=N][=C][C][=Branch2][Ring2][N][=C][Ring1][=Branch1][O][C@@H1][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][O][N][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][Branch1][C][C][C][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][Ring2][=Branch2][#Branch2]

COC(=O)C(c1ccccc1Cl)N1CCc2sccc2C1

[C][O][C][=Branch1][C][=O][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][C][C][C][S][C][=C][C][=Ring1][Branch1][C][Ring1][=Branch2]

O=C(O)C1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O

[O][=C][Branch1][C][O][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][C][Ring2][Ring1][C][=O]

Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1

[Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][N][=C][Ring1][Branch1]

Cn1nnc(-c2ccc(-c3ccc(N4C[C@H](CO)OC4=O)cc3F)cn2)n1

[C][N][N][=N][C][Branch2][Ring2][Ring2][C][=C][C][=C][Branch2][Ring1][Branch2][C][=C][C][=C][Branch1][=N][N][C][C@H1][Branch1][Ring1][C][O][O][C][Ring1][#Branch1][=O][C][=C][Ring1][=C][F][C][=N][Ring2][Ring1][Branch1][=N][Ring2][Ring1][#Branch2]

CN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1

[C][N][C][C][N][Branch2][Ring1][=Branch2][C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][S][C][C][Ring2][Ring1][=Branch1]

COc1ccc(-c2ccc3cc(C(=O)O)ccc3c2)cc1C12CC3CC(CC(C3)C1)C2

[C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][Ring1][=Branch2][=C][Ring1][=N][C][=C][Ring2][Ring1][Ring1][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2]

CN1CCC(=C2c3ccccc3CCc3sccc32)CC1

[C][N][C][C][C][=Branch2][Ring1][Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][S][C][=C][C][=Ring1][Branch1][Ring1][=C][C][C][Ring2][Ring1][Ring2]

COC(=O)C1C(OC(=O)c2ccccc2)CC2CCC1N2C

[C][O][C][=Branch1][C][=O][C][C][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][C][Ring1][S][N][Ring1][Branch1][C]

Nc1ncnc2c1ncn2CCOCP(=O)(O)O

[N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C][C][O][C][P][=Branch1][C][=O][Branch1][C][O][O]

COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1C(NC(C)=O)CC2

[C][O][C][=C][C][=C][Branch1][O][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=Branch1][C][=O][C][=C][Ring1][#Branch2][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][C][Ring2][Ring1][=Branch2]

CCCC(NC(C)C(=O)N1C(C(=O)O)C[C@@H]2CCCC[C@@H]21)C(=O)OCC

[C][C][C][C][Branch2][Ring1][=C][N][C][Branch1][C][C][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C@@H1][C][C][C][C][C@@H1][Ring1][=Branch1][Ring1][N][C][=Branch1][C][=O][O][C][C]

C=C1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)C=CC(=O)C=C12

[C][=C][C][C@@H1][C@H1][Branch2][Ring1][C][C][C][C@][Branch1][C][C][C][=Branch1][C][=O][C][C][C@@H1][Ring1][O][Ring1][#Branch1][C@@][Branch1][C][C][C][=C][C][=Branch1][C][=O][C][=C][Ring2][Ring1][Branch1][Ring1][Branch2]

O=C1C(CC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1

[O][=C][C][Branch2][Ring1][C][C][C][C@H1][Branch1][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C@@H1][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][Ring2][Ring1][=Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]

O=C(O)c1cc(=O)c2c(OCC(O)COc3cccc4oc(C(=O)O)cc(=O)c34)cccc2o1

[O][=C][Branch1][C][O][C][=C][C][=Branch1][C][=O][C][=C][Branch2][Ring1][P][O][C][C][Branch1][C][O][C][O][C][=C][C][=C][C][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][=Branch1][C][=O][C][Ring1][=C][=Ring1][#Branch2][C][=C][C][=C][Ring2][Ring1][#Branch2][O][Ring2][Ring1][#C]

CC=CC(=O)N(CC)c1ccccc1C

[C][C][=C][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C]

CC1=C2N=C(C=C3N=C(C(C)=C4NC(C(CC(N)=O)C4(C)CCC(=O)NCC(C)OP(=O)(O)OC4C(CO)OC(n5cnc6cc(C)c(C)cc65)C4O)C4(C)N=C1C(CCC(N)=O)C4(C)CC(N)=O)C(CCC(N)=O)C3(C)C)C(CCC(N)=O)C2(C)CC(N)=O

[C][C][=C][N][=C][Branch2][#Branch2][#Branch2][C][=C][N][=C][Branch2][Branch2][P][C][Branch1][C][C][=C][N][C][Branch2][=Branch1][Branch2][C][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][Ring1][=Branch2][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][O][P][=Branch1][C][=O][Branch1][C][O][O][C][C][Branch1][Ring1][C][O][O][C][Branch2][Ring1][Ring2][N][C][=N][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][Ring1][O][C][Ring2][Ring1][C][O][C][Branch1][C][C][N][=C][Ring2][Branch1][Branch2][C][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][Ring1][O][Branch1][C][C][C][C][Branch1][C][N][=O][C][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][Ring2][=Branch1][=Branch1][Branch1][C][C][C][C][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][Ring2][#Branch1][Ring1][Branch1][C][C][C][C][Branch1][C][N][=O]

CN(C)CCC=C1c2ccccc2C=Cc2ccccc21

[C][N][Branch1][C][C][C][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#C]

CN(C)CCOC(=O)C(c1ccccc1)C1(O)CCCC1

[C][N][Branch1][C][C][C][C][O][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][C][C][C][Ring1][=Branch1]

O=P1(N(CCCl)CCCl)NCCCO1

[O][=P][Branch1][#Branch2][N][Branch1][Ring2][C][C][Cl][C][C][Cl][N][C][C][C][O][Ring1][=N]

CC=CCC(C)C(O)C1C(=O)NC(CC)C(=O)N(C)CC(=O)N(C)C(CC(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(C(C)C)C(=O)N1C

[C][C][=C][C][C][Branch1][C][C][C][Branch1][C][O][C][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][N][Ring2][=Branch1][N][C]

CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1

[C][N][C][C][C][=Branch2][Ring1][=Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#C][C][C][Ring2][Ring1][Branch1]

CC(=O)OC1(C(C)=O)CCC2C3=CC(Cl)=C4CC(=O)C5CC5C4(C)C3CCC21C

[C][C][=Branch1][C][=O][O][C][Branch1][=Branch1][C][Branch1][C][C][=O][C][C][C][C][=C][C][Branch1][C][Cl][=C][C][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][Ring1][Branch2][Branch1][C][C][C][Ring1][=C][C][C][C][Ring2][Ring1][C][Ring2][Ring1][Branch2][C]

C[C@@H]1CC2C3C[C@H](F)C4=CC(=O)C=CC4(C)[C@@]3(Cl)C(O)CC2(C)C1C(=O)CO

[C][C@@H1][C][C][C][C][C@H1][Branch1][C][F][C][=C][C][=Branch1][C][=O][C][=C][C][Ring1][#Branch1][Branch1][C][C][C@@][Ring1][=N][Branch1][C][Cl][C][Branch1][C][O][C][C][Ring2][Ring1][Ring1][Branch1][C][C][C][Ring2][Ring1][#Branch1][C][=Branch1][C][=O][C][O]

Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)O

[C][C][N][=C][Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch2][O][C][C][Branch1][C][C][C][C][Branch1][Ring1][C][#N][=C][Ring1][=N][S][C][=Ring2][Ring1][C][C][=Branch1][C][=O][O]

NCCNc1ccc(NCCN)c2c1C(=O)c1ccncc1C2=O

[N][C][C][N][C][=C][C][=C][Branch1][Branch1][N][C][C][N][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Ring1][O][=O]

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]

O=c1[nH]c(O)cn1N=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1

[O][=C][NH1][C][Branch1][C][O][=C][N][Ring1][=Branch1][N][=C][C][=C][C][=C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][O][Ring1][=C]

Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1

[N][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][=C][Ring1][S]

COc1cccc2c(O)c3c(c(O)c12)C(=O)C1=C(CC(O)(C(C)=O)CC1OC1CC(N)C(O)C(C)O1)C3=O

[C][O][C][=C][C][=C][C][=C][Branch1][C][O][C][=C][Branch1][#Branch2][C][Branch1][C][O][=C][Ring1][N][Ring1][Branch2][C][=Branch1][C][=O][C][=C][Branch2][Ring2][Ring1][C][C][Branch1][C][O][Branch1][=Branch1][C][Branch1][C][C][=O][C][C][Ring1][#Branch2][O][C][C][C][Branch1][C][N][C][Branch1][C][O][C][Branch1][C][C][O][Ring1][=Branch2][C][Ring2][Ring1][N][=O]

Cc1c(O)c(=O)ccn1C

[C][C][=C][Branch1][C][O][C][=Branch1][C][=O][C][=C][N][Ring1][Branch2][C]

CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN

[C][C][=Branch1][C][=O][N][Branch1][C][O][C][C][C][C][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][C][O][C][C][C][C][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][C][O][C][C][C][C][C][N]

CCCCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21

[C][C][C][C][C][C][=C][C][Branch1][C][O][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][O][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Branch1][C][C][=C][C][Ring1][=C][Ring1][#Branch1]

CNCCCN1c2ccccc2CCc2ccccc21

[C][N][C][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#C]

CC1CC2C3CC=C4CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1C(=O)CO

[C][C][C][C][C][C][C][=C][C][C][=Branch1][C][=O][C][=C][C][Ring1][#Branch1][Branch1][C][C][C][Ring1][N][Branch1][C][F][C][Branch1][C][O][C][C][Ring2][Ring1][C][Branch1][C][C][C][Ring2][Ring1][=Branch1][C][=Branch1][C][=O][C][O]

CC1CC2C3CC=C4CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO

[C][C][C][C][C][C][C][=C][C][C][=Branch1][C][=O][C][=C][C][Ring1][#Branch1][Branch1][C][C][C][Ring1][N][Branch1][C][F][C][Branch1][C][O][C][C][Ring2][Ring1][C][Branch1][C][C][C][Ring2][Ring1][=Branch1][Branch1][C][O][C][=Branch1][C][=O][C][O]

CC(N)Cc1ccccc1

[C][C][Branch1][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1]

COc1ccc2c(c1)C13CCCCC1C(C2)N(C)CC3

[C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1][C][Branch1][Ring2][C][Ring1][O][N][Branch1][C][C][C][C][Ring1][N]

CC(C)C[C@@H](CN)CC(=O)O

[C][C][Branch1][C][C][C][C@@H1][Branch1][Ring1][C][N][C][C][=Branch1][C][=O][O]

CC(=O)C1(O)CCC2C3=CC(Cl)=C4CC(=O)C5CC5C4(C)C3CCC21C

[C][C][=Branch1][C][=O][C][Branch1][C][O][C][C][C][C][=C][C][Branch1][C][Cl][=C][C][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][Ring1][Branch2][Branch1][C][C][C][Ring1][=C][C][C][C][Ring2][Ring1][C][Ring2][Ring1][=Branch1][C]

CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21

[C][N][C][=Branch1][C][=O][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring2][Ring1][Ring1]

CC1=NS(=O)(=O)c2cc(Cl)ccc2N1

[C][C][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][Ring1][=N]

N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)c(F)cc1F

[N][C@@H1][Branch2][Ring1][=N][C][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][=C][=N][N][=C][Ring1][Branch1][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][=N][C][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][F]

O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl

[O][=C][Branch1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl]

NS(=O)(=O)c1cc(Cl)c(Cl)c(S(N)(=O)=O)c1

[N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=C][Ring1][N]

Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NC1C(=O)N2C1SC(C)(C)C2C(=O)O

[C][C][O][N][=C][Branch1][=N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][=Ring1][=N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][Ring1][Branch1][S][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch1][C][=Branch1][C][=O][O]

CCN(CC)CCOC(=O)C1(C2CCCCC2)CCCCC1

[C][C][N][Branch1][Ring1][C][C][C][C][O][C][=Branch1][C][=O][C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][C][C][C][C][Ring1][N]

O=c1[nH]cnc2c1ncn2C1CCC(CO)O1

[O][=C][NH1][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C][C][C][C][Branch1][Ring1][C][O][O][Ring1][#Branch1]

CC(=O)OCC(=O)C1(OC(C)=O)C(C)CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC21C

[C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Branch1][C][C][C][C][C][C][C][Branch1][C][F][C][=C][C][=Branch1][C][=O][C][=C][C][Ring1][#Branch1][Branch1][C][C][C][Ring1][=N][Branch1][C][F][C][Branch1][C][O][C][C][Ring2][Ring1][Ring1][Ring2][Ring1][O][C]

O=C(O)c1cc(-c2ccc(F)cc2F)ccc1O

[O][=C][Branch1][C][O][C][=C][C][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][=C][C][=C][Ring1][=C][O]

CCCC(=O)OC1(C(=O)COC(C)=O)CCC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC21C

[C][C][C][C][=Branch1][C][=O][O][C][Branch1][N][C][=Branch1][C][=O][C][O][C][Branch1][C][C][=O][C][C][C][C][C][C][Branch1][C][F][C][=C][C][=Branch1][C][=O][C][=C][C][Ring1][#Branch1][Branch1][C][C][C][Ring1][=N][Branch1][C][F][C][Branch1][C][O][C][C][Ring2][Ring1][Ring1][Ring2][Ring1][=N][C]

CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CC(O)C5(C)C(C7=CC(=O)OC7)CCC65O)C4)OC3C)OC2C)CC(O)C1O

[C][C][O][C][Branch2][#Branch1][#Branch1][O][C][C][Branch1][C][O][C][C][Branch2][=Branch1][=Branch1][O][C][C][Branch1][C][O][C][C][Branch2][Branch1][Branch1][O][C][C][C][C][Branch1][C][C][C][Branch2][Ring2][Branch1][C][C][C][C][Ring1][#Branch1][C][C][Branch1][C][O][C][Branch1][C][C][C][Branch1][O][C][=C][C][=Branch1][C][=O][O][C][Ring1][=Branch1][C][C][C][Ring1][P][Ring1][N][O][C][Ring2][Ring1][O][O][C][Ring2][Ring2][Ring1][C][O][C][Ring2][Ring2][N][C][C][C][Branch1][C][O][C][Ring2][Branch1][Branch1][O]

COc1ccc2c3c1OC1C(O)CCC4C(C2)N(C)CCC341

[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][O][C][C][C][C][Branch1][Ring2][C][Ring1][N][N][Branch1][C][C][C][C][C][Ring1][S][Ring1][Branch2][Ring1][=N]

CN1CC(C(=O)NC2(C)OC3(O)C4CCCN4C(=O)C(Cc4ccccc4)N3C2=O)CC2c3cccc4[nH]cc(c34)CC21

[C][N][C][C][Branch2][Ring2][#C][C][=Branch1][C][=O][N][C][Branch1][C][C][O][C][Branch1][C][O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][C][C][Ring2][Ring1][=Branch1][=O][C][C][C][=C][C][=C][C][NH1][C][=C][Branch1][=Branch1][C][Ring1][=Branch2][=Ring1][Branch1][C][C][Ring1][N][Ring2][Ring2][#Branch2]

COc1ccc(C2Sc3ccccc3N(CCN(C)C)C(=O)C2OC(C)=O)cc1

[C][O][C][=C][C][=C][Branch2][Ring2][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][Branch2][C][C][N][Branch1][C][C][C][C][=Branch1][C][=O][C][Ring1][P][O][C][Branch1][C][C][=O][C][=C][Ring2][Ring1][O]

CCOc1ccc(CC2NC(=O)CCSSCC(C(=O)N3CCCC3C(=O)NC(CCCN)C(=O)NCC(N)=O)NC(=O)C(CC(N)=O)NC(=O)C([C@@H](C)O)NC(=O)C([C@@H](C)CC)NC2=O)cc1

[C][C][O][C][=C][C][=C][Branch2][Branch2][C][C][C][N][C][=Branch1][C][=O][C][C][S][S][C][C][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][Branch1][C][C][C][N][C][=Branch1][C][=O][N][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C@@H1][Branch1][C][C][O][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C@@H1][Branch1][C][C][C][C][N][C][Ring2][Branch1][=Branch2][=O][C][=C][Ring2][Branch1][P]

OCC(S)CS

[O][C][C][Branch1][C][S][C][S]

O=[N+]([O-])O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2O

[O][=N+1][Branch1][C][O-1][O][C@@H1][C][O][C@H1][C@@H1][Ring1][Branch1][O][C][C@@H1][Ring1][Branch1][O]

CNCC(O)c1ccc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c1

[C][N][C][C][Branch1][C][O][C][=C][C][=C][Branch1][=C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][=C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][Ring2]

OCCN(CCO)c1nc(N2CCCCC2)c2nc(N(CCO)CCO)nc(N3CCCCC3)c2n1

[O][C][C][N][Branch1][Ring2][C][C][O][C][=N][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=C][N][=C][Branch1][#Branch2][N][Branch1][Ring2][C][C][O][C][C][O][N][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][Ring2][Ring1][Ring1][=N][Ring2][Ring1][=N]

CC(C)N(CCC(C(N)=O)(c1ccccc1)c1ccccn1)C(C)C

[C][C][Branch1][C][C][N][Branch2][Ring1][=N][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Branch1][C][C][C]

CCN(CC)C(=S)SSC(=S)N(CC)CC

[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=S][S][S][C][=Branch1][C][=S][N][Branch1][Ring1][C][C][C][C]

CCCC(CCC)C(=O)O

[C][C][C][C][Branch1][Ring2][C][C][C][C][=Branch1][C][=O][O]