smiles
stringlengths 7
778
|
|---|
COc1cc(CNc2[nH+]cc(c3cccc([N+](=O)[O-])c3)n2C)cc(OC)c1OC
|
O=C(Nc1ccn(C2CC(OC(=O)C(F)(F)F)C(COC(=O)C(F)(F)F)O2)c(=O)n1)C(F)(F)F
|
CC1=C(C)C(C)(C)C=C1c1ccc[pH]1
|
C=CN(C=C)P(OC(F)(F)F)N(C=C)C=C
|
Cc1ccc(C(=O)Nc2cccc(CNC(=O)C3CCCCC3(C)[NH3+])c2)cc1
|
COC(=O)C(C(C)O[Si]P)N1C(=O)C(O)C1c1ccccc1
|
CCCC(CCO)CNc1cc(NN)nc(N)n1
|
O=C([O-])C(CNC(=O)C1(c2cccc(Cl)c2)CC1)c1ccc(F)cc1
|
CCOc1ccccc1NC1=CC(=O)N(Cc2ccccc2)C1=O
|
C[NH2+]Cc1cn(CCOc2ccc3cccnc3c2)nn1
|
CCOc1cc(N)cc(C(=O)[O-])c1I
|
Cc1cc(NC(=O)c2cccc(Cl)c2C)n[nH]1
|
Cc1cccc(C(C)C)c1N1CC(CC[NH3+])NC1=O
|
COc1cccc2c(C(=O)NCCC[NH+]3CCC(c4c[nH]c5cc(C(F)(F)F)ccc45)CC3)ccnc12
|
c1cnc(On2nnc3ccc(Cn4ccnc4)cc32)nc1
|
CN1C(=O)CC(Nc2c(F)c(F)c(F)c(F)c2F)C1=O
|
Clc1ccc(c2nn[n-]n2)s1
|
Nc1ccc(On2p(Oc3ccc(N)cc3)np[nH]p2Oc2ccc(N)cc2)cc1
|
CC1OC(OC2C(OC3C(O)C(CO)OC(OC4C(CO)OC(O)C(O)C4O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O
|
Cc1nn(Cc2cccc(c3nc4c5c(C)c(C)sc5ncn4n3)c2)c(C)c1[N+](=O)[O-]
|
C=CCNS(=O)(=O)Cc1ccc(NC(=O)C(CCSC)NC(=O)c2ccccc2Cl)cc1
|
ONc1ccccc1I
|
OCc1ccc(C[NH+]2CCc3c([nH]c4ccccc34)C2c2ccccc2F)o1
|
CC[NH+]1CCC(N(C)c2nccc(CCl)c2F)CC1
|
CCOc1ccc(C(=O)Nc2cnn(Cc3ccc(F)cc3)c2)cc1
|
CC(C)(C)n1cc(NC(=O)c2cnn3c2CCCC3)cn1
|
Cc1nn(C)c(Cl)c1CC(O)CCC(F)(F)F
|
COc1cccc(N(CC(=O)NC2CCCCCCC2)S(=O)(=O)c2ccc(C)cc2)c1
|
CCCOCC[NH+]1CCN(C(=O)Nc2cccc(Cc3ccccc3)c2)CC1
|
Fc1ccc(Cn2c(CC3CC[NH+](Cc4ccccc4)CC3)nc3ccccc32)cc1
|
O=C1CC(c2cccc(O)c2)c2c(c3ccccc3oc2=O)N1
|
CCCC(=O)Nc1ccc(C(=O)COC(=O)CCN2C(=O)c3ccccc3C2=O)cc1
|
CSc1c[nH]c2c(C)cc(Cl)cc12
|
Cc1[nH]c2nc(c3ccccc3)nc(Cl)c2c1C
|
COC(=O)C(=O)CC(=O)c1cc(C)ccc1SC(C)C
|
Cc1cccc(CNc2ccc(N(C)C)cc2C)c1
|
CCCNS(=O)(=O)c1ccc(NC(=O)NCCSc2cn[nH]n2)cc1
|
Cc1ccc(NC(=O)NC(=O)COC(=O)c2c(C)nn(C)c2C)cc1C
|
COCC(C)CNC(=O)c1ccoc1Br
|
O=C(NCCOCCBr)c1ccc(F)cc1
|
CCC1(C)NC(=O)CCN(c2ccc(F)cc2C)C1=O
|
Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c2ccc(C)c(Cl)c2)cc1
|
Cn1cc(C(=O)N2CCC(C3OCCCC3[NH3+])CC2)c(c2ccccc2)n1
|
O=S(=O)(Cc1c(F)cccc1Cl)NCC1COc2ccccc2O1
|
O=[N+](O)N(CC(N(F)F)([N+](=O)[O-])[N+](=O)[O-])CC(N(F)F)([N+](=O)[O-])[N+](=O)[O-]
|
CN(C(=O)c1ccc(NC2CC(NC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1)C1CCCCC1
|
C[NH2+]C(CCC(C)(C)C)c1ncccc1C
|
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CC(C)C)c1=[NH+]C(C)=O
|
Cc1ncoc1C(=O)N1CCC(c2ccn[nH]2)CC1
|
CCC(=CC=C(C)[NH2+]C(C)C)C(C)C
|
O=S(=O)(c1cc(Br)c(Br)s1)N(Cc1ccccn1)Cc1ccccn1
|
O=C(C(=O)N1CCN(C(=O)c2ccco2)CC1)c1cn(CC(=O)N2CCOCC2)c2ccccc12
|
COc1ccc([N+](=O)[O-])cc1CN1CCC2CCC(C1)[NH2+]2
|
N#CC1=C([NH3+])N(c2ccc(Cl)cc2)CC1
|
Cc1cccc(N2C(=[NH2+])C(=Cc3ccc(Cl)cc3)C([NH3+])=C(C#N)C2=O)c1
|
CC1(C)C(O)CC1NS(=O)(=O)CC1CCS(=O)(=O)CC1
|
COc1cccc(C(Nc2cc(C)nc(OC)n2)c2nccn2C)c1
|
CC(C)CC(=O)Nc1ccc(C(=O)NC(C)(CO)C2CC2)cc1F
|
Cc1ccc2c(c1)C(=O)N(CCC(=O)N(CC(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O)C2=O
|
CCC(CC)(C(=O)NCCOCCOC)C(N)=[NH+]O
|
O=S(=O)(CBr)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCC2
|
Cc1nc(C(=O)NCc2ccccc2NS(C)(=O)=O)nn1c1ccc(Cl)cc1
|
Cc1cc(C(=O)Nc2c(F)cccc2F)ccc1NC(=O)C[NH+]1CCC(C(=O)N2CCCC2C(=O)Nc2c(C)cccc2C(=O)N2CCOCC2)CC1
|
Cc1cc(C)c(S(=O)(=O)Cc2ccc(Cl)cc2)c(=O)[nH]1
|
O=C(Nc1ccc2c(c1)CN(S(=O)(=O)c1ccc(F)cc1)CC2)C1CCCC1
|
Cc1ccc(NC(=O)CSCc2nc3n(Cc4ccccc4Cl)[nH]nc-3c(=O)n2)cc1
|
O=C([O-])Cc1ccc(C(F)(F)F)c(c2ccc(OC(F)(F)F)cc2)c1
|
CC=C(NC(=O)OCC=Cc1ccccc1)C(=O)NCC(=O)OC
|
N#CCNc1cc(Nc2cc(Br)cs2)ncn1
|
Cc1cn(c2cc(C(=O)Nc3ccc(C)c(NC(=O)n4ccc5c(Nc6cccc(C(C)O)c6)ncnc54)c3)cc(C(F)(F)F)c2)cn1
|
O=C([O-])c1ccc(S(=O)(=O)NOCC(F)(F)F)c(Br)c1
|
COc1ccc(CCNC(=O)c2ccccc2NC(=O)CSCc2ccc(Cl)c(Cl)c2)cc1OC
|
Cc1cc(CO)ccc1N(C)Cc1ccoc1C
|
CCCCC(CC)CCCC1(C)CC1
|
CSc1ccc(C2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2ccc(Br)cc2)cc1
|
CCCCNS(=O)(=O)c1ccc(C[NH2+]C(C)C)cc1F
|
Cc1cc(Nc2cc(OC3CC[NH+](C(c4ccccc4)c4ccccc4)C3)cc(C(F)(F)F)c2)c2ccccc2n1
|
Cc1cc2c(c3c1C(=O)C(=Cc1ccc(Cl)c(Cl)c1)O3)C[NH+](Cc1ccc3c(c1)OCO3)CO2
|
COC1CC2CCC(C)C(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OP(C)(C)=O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C
|
Cc1coc(c2cc(NC(=O)C3CC[NH2+]C3)ccc2C)n1
|
O=c1cc(CCCn2ccc(C(F)(F)F)n2)[nH][nH]c1=O
|
Cc1ccc(c2csc(=S)n2CC(=O)N2CCCCCC2)cc1
|
Fc1cccc(F)c1CC(Cl)c1ccc(Cl)cc1Br
|
CC12CCC3C(CCC4C=C([NH3+])CCC43C)C1C=CC2O
|
CCC(CC)c1nnc(NC(=O)C=Cc2ccc(N3CCCC3=O)cc2)s1
|
N#Cc1c(C(F)F)cc(c2ccc(Cl)cc2)[nH]c1=S
|
CC(CC#N)NC(=O)C(C)(C)C(C)(C)[NH3+]
|
CCCNC(=O)CN(C)c1ccc(C[NH2+]C2CC2)c(C)c1
|
CCN(c1ccc(F)cc1)c1ccc(C(=O)[O-])cc1F
|
CCOC(=O)c1cnn(c2cc(=O)n(C)c3ccccc32)c1C[NH2+]CCc1ccccn1
|
CC1(C)Cc2cccc(CN3CC[NH2+]CC3(C)C)c2O1
|
CCC([NH2+]CCCc1cn[nH]c1C)c1ccccc1
|
N#Cc1cc([N+](=O)[O-])ccc1Nc1ccc(F)c(Br)c1
|
CCCNC(=O)CC[NH2+]C(C)c1ccccc1O
|
O=C([O-])C1(c2[nH]nc3ccccc23)CCC1
|
COCCn1c(=NC(=O)C2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)sc2c(OC)ccc(OC)c21
|
Cc1c[nH]c2ncnc(N3CCN(C(=NC4CC[NH+](C)CC4)NC#N)C(C)C3)c12
|
O=C(COC1CCCCC1)Nc1ccccc1C(=O)NCC(F)(F)F
|
C=CCOC(=O)C1(c2ccc(OC)cc2)COc2ccccc2C1=O
|
CC(C)OCCCNC(=O)c1ccc2cn[nH]c2c1
|
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