smiles
stringlengths 7
778
|
|---|
COc1cc(CNC(=O)CCCSc2ccccc2)ccn1
|
O=C([O-])Cc1c[nH]c2cccc(SC3OC(CO)C(O)C(O)C3O)c12
|
CO[Si](OC)(OC)c1ccc([SiH](c2ccc([Si](OC)(OC)OC)cc2)c2ccc([Si](OC)(OC)OC)cc2)cc1
|
Cc1ccc(C2=C([NH+]3CCCC3)C(=O)N(CCc3ccccc3)C2=O)cc1
|
[NH3+]C1CCC(C(F)(F)C(F)(F)F)CC1
|
CCOC1CC([NH2+]CCC2CCCCO2)C12CCCCC2
|
CC(C)C(=O)CCc1cc(F)cc(OC2CC(NSS)C2)c1
|
CCC1C=CCN1C(=O)CCn1c(C)cccc1=O
|
COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccc4cn[nH]c4c3)C2c2ccc(F)cc2)c1
|
CC[NH2+]Cc1csc(c2ccccn2)n1
|
CC(=O)Nc1ccccc1N(S(=O)(=O)c1ccc2ccccc2c1)S(=O)(=O)c1ccc2ccccc2c1
|
COC(=O)C(=CCCc1ccc(OC)cc1)NC(=O)OCc1ccccc1
|
C=C(C(C)=O)c1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)CCOC
|
Nc1cc(Cl)cc(Cl)c1NC(=O)COCC1CCCCC1
|
CCCc1cc(C(C)[NH2+]C(C)CC[NH+]2CCN(c3cccc(C)c3C)CC2)nn1c1ccccc1
|
Cc1cc(C)c(C=Cc2onc(C)c2[N+](=O)[O-])c(C)c1
|
CC1CCCC1NS(=O)(=O)c1cc(Br)ccc1Br
|
CCOC(=O)C1(N)C(c2cccc(F)c2)C1S(=O)(=O)CC
|
CN(c1c(Cl)cccc1C(=O)c1nc(Cl)cc(C=O)n1)S(=O)(=O)C(F)F
|
CN1CC[NH+](CCCCNC(=O)Nc2ccc(C(C)(C)C)cc2)CC1
|
Cc1ccc(NC(N)=[NH+]Cc2ccnn2C)cc1C
|
COC(=O)C1CCC(C(=O)N2CC([NH+](C)C)C2)CC1
|
CC(c1ccncc1)C(Br)C1C2CC3CC(C2)CC1C3
|
CC(=Cc1cccc2cccnc12)CBr
|
CC[NH2+]C1CCNc2c(OC)cccc21
|
CC(C)(C)c1cc(c2cc(c3cc(c4ccccc4)c(O)c(c4ccccc4)c3)[nH]n2)cc(C(C)(C)C)c1O
|
CCC1CC[NH2+]C(C(=O)NCC(O)C(=O)OC)C1
|
CC1(C(=O)NCc2cccc(CO)c2)CCCS1
|
CC(NC(=O)c1ccccc1OCCBr)c1ccco1
|
COc1ccc(n2ccc(CNc3cncc(Cl)n3)n2)cc1
|
O=C(Nc1ccc2[nH]cc(C3CC[NH+]4CCCC4C3)c2n1)NC1CCCC1
|
CC(C)(C)OC(=O)N1CC[NH2+]CC1C(O)C1Cc2cc(F)cc(c2)OCCCCN2CC(CC2=O)C(=O)N1
|
NNC(=O)CC1=Nc2ccccc2[N+]1=Cc1cc(F)ccc1O
|
CNc1nc(c2cc(C)c(C)cc2C)cs1
|
O=C(NCc1ccc(F)cc1)c1ccc(Cn2c(SCc3ccccc3Cl)nc3ccncc32)cc1
|
Cc1ccc2c(c1)C(=O)CC(C)(C)S2(=O)=O
|
CCOc1ccc(N2C(=O)C(O)=C(c3cccc(C)c3)C2c2cc(OC)c([O-])c([N+](=O)[O-])c2)cc1
|
COc1ccc(NC(=O)Cn2nnnc2c2ccc(Cl)cc2)cc1
|
Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1cccc(Cl)c1
|
CCOC(=O)N(C)c1ccc2c(c1)N(C(=O)C[NH+](C)C)c1ccccc1CC2
|
COc1cccc(c2nc3ccccn3c2C[NH+]2CCC(C(=O)[O-])CC2)c1
|
NNC(CCc1ccccc1)c1cc(Cl)ccc1I
|
C[NH2+]Cc1cnc(Oc2ccc(Cl)c(Cl)c2)nc1C
|
CC(C)=CCc1c([O-])c2c(O)c(CC=C(C)CCC=C(C)CO)c(c3ccc(O)cc3O)oc-2cc1=O
|
O=C1OC(=O)c2cc(c3ccc(C(F)(F)F)cc3)ccc21
|
O=C(Nc1ccc2nc(c3ccco3)[nH]c2c1)c1ccn(c2cccc(F)c2)n1
|
O=C1NCCOCCCN(S(=O)(=O)c2ccccc2)C2CCCCC12
|
CN(C(=O)CSc1nnc(C2CC2)n1Cc1ccco1)c1ccccc1
|
Cc1ccc2c(c1)C(CC(=O)[O-])N(c1sccc1C)NC2=O
|
COC(C(=O)c1cc(F)ccc1F)C1CCCCC1
|
CC(C)C1C[NH2+]C(Cc2ccccc2)CN1C(=O)C1CC1
|
CCC(C(=O)N1CCN(c2ccnc(N3CCCC3)n2)CC1)c1ccccc1
|
CC(C)CCc1nc([O-])c(c2ccc(F)cc2)c(=O)[nH]1
|
CCOC(=O)c1sc2cccc(F)c2c1CSc1ccc(NC(C)=O)cc1
|
Cc1ccccc1C=NOCC(=O)Nc1ccc(Br)cc1
|
Cc1ccc2oc(C(=O)NC3CCCCC3C[NH+](C)C)c(C)c2c1
|
COc1c(C)c(C)nc(C[NH3+])c1Br
|
[C-]#[N+]c1c(C)cc(Nc2cc(C)[nH]n2)nc1NCCOc1cc(F)cc(F)c1
|
CCCCO[Si](OCCCC)(O[SiH](C)C)O[SiH](C)C
|
COc1cccc(C(=O)c2c(C)cc(C)cc2F)c1N
|
COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)N3CCN(c4ccccn4)CC3)c(=O)cc1C(NC(C)=O)CC2
|
COc1cccc(C(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)c1
|
CCOC[NH+]1CCN(CC)CC1
|
CC1CCCC[NH+]1C1NC(=O)C2C(NC(=O)CC2C(=O)Nc2ccccc2)N1
|
Cc1cn(C)c(=O)n1c1ccccc1c1cc(N)on1
|
CCc1cccc2c(C(=O)COC(=O)CSc3ccc(C)c(C)c3)c[nH]c12
|
C=CCSc1nnc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)cc3)c2)s1
|
Cc1ccc(C#N)cc1NC1CCOCC1
|
COc1ccc(C=CC(=O)N(C)C(C)c2ccc(F)cc2)cc1
|
CCCCCCNc1ccc2c(c1)OCCCO2
|
COC(=O)C1=C(C)NC(C)=C(C(=O)[O-])C1c1nccs1
|
CCCOc1ccc(NC(=O)C2CC(=O)N(C)C(=[NH+]c3ccc(C(=O)OCC)cc3)S2)cc1
|
COc1cccc(Cl)c1C=C(C)CO
|
C#CCNS(=O)(=O)c1ccc(C(=O)OCc2cnc(c3ccccc3)s2)cc1
|
COc1cccc(NC(=O)CCN(C)c2ccccc2)c1
|
Cc1ccc(C2(C#N)CCCC2)c(O)c1F
|
Fc1ccc(n2ncc(c3nnn(Cc4ccc(Br)cc4)n3)c2SSc2c(c3nnn(Cc4ccc(Br)cc4)n3)cnn2c2ccc(F)cc2)cc1
|
O=C1NCCCC1NCc1cn2cc(Cl)ccc2[nH+]1
|
C=CCC1(CO)CC2CCC1C2
|
Cc1ccc(NC(=O)C2CCc3ccccc3N2C(=O)c2cc3c(C)nn(C)c3s2)cc1
|
CCC(C)C([NH3+])C(=O)N1CCC(C2CC=C(Cl)CC2)CC1
|
Cc1ccc2nc3n(c2c1)C(=O)NC3Cc1ccc(Br)cc1
|
CC1C(=O)N(c2ccc(SC(F)(F)F)cc2)C(=O)N1Cc1cc(Cl)nc2ccccc12
|
Cc1nnc(C2CN(C(=O)c3cncn3C)CC23CCN(C(=O)C2CCOCC2)CC3)o1
|
CC1=CC(=O)N(CCC2CCC[NH2+]C2)C1=O
|
N#Cc1cccc(C([NH3+])Cc2ccc([N+](=O)[O-])cc2)c1
|
CCCCC1NC(=O)C(Cc2ccc3ccccc3c2)NC(=O)C(Cc2ccc3ccccc3c2)NC(=O)C(CCCC[NH3+])NC(=O)C(CCCNC(N)=[NH2+])NC(=O)C(Cc2ccc(F)cc2)NC(=O)C(CCC(N)=O)NC(=O)CC(CCc2ccccc2)NC(=O)C2CCCCN2C(=O)C(=O)C(C)(C)COC1=O
|
C=CCOC(=O)C1=C(SC2CC(C(C)c3cnc[nH]3)N(C(=O)OCC=C)C2)C(C)C2C(C(C)O)C(=O)N12
|
O=C([O-])CCCC(=O)NC(=O)N1CCCc2ccccc21
|
Cc1ccc(N(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(F)cc2)cc1
|
CCn1ccnc1C[NH+]1CC(O)C(Cc2cnccn2)C1
|
Cc1ccccc1NC(=O)Cn1cc(C(=O)c2ccco2)c2ccccc21
|
Cc1nc(C[NH+]2CC(F)CC2CNC(=O)C2COCC[NH+]2C2CCCC2)no1
|
CC(C)(C#N)c1ccc(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)cc1
|
CCCCN(c1nc(Cl)nc(Cl)n1)C1CC1
|
Cc1cc(NCc2ccccc2)c(C=O)c(=O)[nH]1
|
NC1Cc2c([nH]c3ccccc23)C2([NH2+]1)C(=O)Nc1ccc(Br)cc12
|
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc2nccnc2c1
|
O=C(NS(=O)(=O)c1cnc2ccccc2c1)C1CC12CCCCC2
|
COc1c(C)c(C)ccc1c1ccc(F)cc1C(=O)[O-]
|
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