smiles
stringlengths 7
778
|
|---|
Fc1ccc(CC(Br)c2cccc(Br)c2Cl)cc1
|
CC1CC(C)N1C(=O)c1cnccn1
|
C=CC[SiH](CCC)CCC
|
Cc1cccc(NC(=O)C[NH+]2CC(C[NH3+])CCC2C)c1C
|
Cc1ccc(F)cc1NC(=O)c1cccc(NC(=O)C(C)[NH+]2CCC(C(=O)Nc3cc(C(=O)N4CCCC4)ccc3Cl)CC2)c1C
|
O=C([O-])C1CC2CCC1N2C(=O)N1CCC(CCO)C1
|
CN(C)C(=O)CCc1cccc(NC(=O)Nc2cccc(Cl)c2)c1
|
CC=C(Cc1ccc(OC)cc1)C(=O)OC
|
CCC(C)C(NC(=O)C1CCCN1C(=O)C([NH3+])CO)C(=O)NC(CS)C(=O)[O-]
|
Cn1ncc(C2CC2)c1C=CC(=O)c1ccc(N2C(=O)CCC2=O)cc1
|
COc1ccc(Nc2cccc3c2C(=O)c2cccc(Nc4ccc(OC)c(C(=O)[O-])c4)c2C3=O)cc1C(=O)[O-]
|
O=C(Cc1cccc(C(F)(F)F)c1)Nn1nc(c2ccc(Cl)cc2)c2ccccc2c1=O
|
Cc1cccc(NS(=O)(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2C)c1
|
Clc1cc(CBr)ccc1OC1CCCOC1
|
CC[NH+](CC(=O)Nc1ccc(OC)cc1)C(C)C(=O)Nc1cc(OC)cc(OC)c1
|
CCCCCC(OC(=O)c1ccc(C(=O)c2ccc(OCc3ccccc3)cc2)cc1)C(F)(F)F
|
Cc1cccc(CCCOc2ccc(CCC([NH3+])(CCF)C3OP(=O)([O-])O3)cc2C(F)(F)F)c1
|
O=C(NCC(F)(F)F)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl
|
COCC([NH3+])c1noc(c2ccc(F)cc2[N+](=O)[O-])n1
|
CCCCN1CC[NH+](CC(=O)[O-])CC1=O
|
Cc1csc(Sc2ccc(NC(=O)c3ccc(=O)n(C)n3)c(C)c2)n1
|
COc1nc(CCC(=O)[O-])c(Br)cc1Br
|
CC(C)c1cc(CC(N)C#N)c(F)cc1F
|
Cc1nc(C2CN(C(=O)NC(C)c3cccnc3)CCO2)n[nH]1
|
CC[NH2+]Cc1ccc(S(=O)(=O)NCc2nncn2C)nc1
|
O=Nc1c(O)n(C(=O)NC2CCS(=O)(=O)C2)c2ccccc12
|
CCOC(=O)C(=Cc1ccc(OCc2ccccc2)c(OC)c1)N=[N+]=[N-]
|
CCOc1ccc(CN2C(=O)C(=O)C(=C([O-])c3c[nH]c4ccccc34)C2c2ccc(C(C)(C)C)cc2)cc1
|
COc1ccc(C(CC(O)c2ccc(Br)cc2)Nc2ccc(F)cc2)cc1
|
CC1(S(=O)(=O)c2cccc(C(F)(F)F)n2)CCOC(c2ccc(S(C)(=O)=O)c(F)c2)C1
|
Cc1cc(C)n(CC(C)CNC(=O)Cc2ccc(Cl)cc2)n1
|
COc1ccc(CC2(CCC(=O)NCc3csc(Cc4ccccc4)n3)CCC(=O)N2)cc1
|
[NH3+]CCc1ccccc1Oc1ccc(Cl)cc1Cl
|
CC1CCC(Cn2c(N3CCCC34CCOCC4)nc3cc(c4nc(=O)o[nH]4)nc(c4cncc(Cl)c4)c32)CC1
|
CCc1cccc(CC)c1NCC(=O)NCCOc1ccc(OC)cc1
|
O=C(C=CC1=Cc2cc(Cl)ccc2OC1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1
|
[NH3+]Cc1cccnc1COCC1CCCCC1
|
COC(=O)C1C(OC(=O)CC(C)(C)SN=O)CCC2C[NH+]3CCc4c(n(C(C)=O)c5ccccc45)C3CC21
|
Cc1cnc(COc2nc3c(c(=O)n(CCCOPI)c(=O)n3C)n2Cc2ccc(Cl)cc2)o1
|
CCN(CC)C(=O)c1ccc(C)c(NC(=O)C[NH+]2CCC(C(=O)NC(C(=O)Nc3cc(C(=O)N4CCCC(C)C4)ccc3C)C(C)C)CC2)c1
|
CCCNC(=O)c1ccc(NC(=O)C(C)[NH+]2CCC(C(=O)NC(C(=O)Nc3ccc(C)c(NC(=O)c4ccccc4OC)c3)C(C)C)CC2)c(C)c1
|
O=C(CCCCl)Nc1cccc(O)c1
|
CCC1(OC(=O)CC(C)(O)C2CC3C=CC2C3)CCCC1
|
Oc1cccc(C2CC[NH+](Cc3cn(Cc4ccc(C(F)(F)F)cn4)nn3)CC2)c1
|
CCN(C)C(=O)NCCc1ccc(OC)cc1
|
COc1cccc(C2C=C(OS(=O)(=O)C(F)(F)F)CCN2C(=O)[O-])c1
|
COc1ccccc1CNC(=O)C1COC(=O)N1Cc1ccc(SC)cc1
|
CCOC(=O)CCN(CCC(C)C)C(=O)Cc1ccc(OCC)cc1
|
CC(=O)N1CCC(c2cc(c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)c(F)c3)c3c(N)ncnn23)C1
|
Nc1ccc2c(c1)C(C(Cl)=C(Cl)C=O)[NH2+]CC2
|
CSc1csc2c(CCl)ccc(CC#N)c12
|
Cc1cc(C(=O)N(C)CC(C)C(N)=[NH+]O)on1
|
CCOc1ccccc1C(=O)Nc1cc(C(=O)Nc2cc(C)cc(C)c2)ccc1Cl
|
CC(Cc1ccccc1)C(=O)N1C(=O)OC(C)(C)CC1C(C)C
|
O=C(CSc1ccc(NC(=O)C(=Cc2ccccc2)NC(=O)c2ccccc2)cc1)Nc1nc(c2cccs2)cs1
|
CC(=O)Cc1cccc2c1N(CC1CCOCC1)CC2
|
Cn1c(CC2CCC[NH2+]2)nc2cc(S(C)(=O)=O)ccc21
|
Cc1csc(C[NH2+]Cc2c(Cl)c(C)nn2C)n1
|
O=C(CCCC1CC1)c1ccc(Cc2ccc(F)cc2)o1
|
CN(CCCC(=O)[O-])C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1
|
Cc1ccc(C2C=CCC(NC(=O)OCC3c4ccccc4-c4ccccc43)CC(=O)N2Cc2ccccc2)cc1
|
CCC1CCCC(O)(Cc2ccccc2Cl)CC1
|
COc1cc(NC(=O)C2(NC(=O)Oc3ccc(Br)s3)CCCC2)ccc1N1CCOCC1=O
|
CCOC(=O)c1ccc2c(c1)CC(C)(C)C(c1cccc(c3ccc(C(=O)NC(C)(C)C)cc3)c1)N2
|
CCNc1ncc([N+](=O)[O-])c(NCc2cnn(C)c2C)n1
|
CCCCCCCCCCCCCCCCCCNc1nc(N2C(C)(C)CCCC2(C)C)nc(N2C(C)(C)CC([NH3+])CC2(C)C)n1
|
CCCNc1nc(c2occc2Br)ncc1Br
|
CCNC(NC(C)CC)=[NH+]CC1CCCOC1C(C)(C)C
|
O=C(CSCc1ccc(Cl)cc1)NC1CS(=O)(=O)CC1Cl
|
CCc1noc(C)c1C(=O)OCc1ccc(C(=O)OC)cc1
|
C=C(C=C(OCCCC)C(=CC)OCCCC)c1cc(COC(=O)NCC2NC(=O)C2NC(=O)C(=NOC(C)(C)C(=O)OC(C)(C)C)c2csc(NC(=O)OC(C)(C)C)n2)on1
|
CNC(=O)CC[NH2+]C1CCCC1C
|
CCNc1ncc(F)c(Nc2cc(OC)ccc2OC)n1
|
Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)NCCCCC(=O)Oc1cccc3c1CN(C1CCC(=O)NC1=O)C3=O)c1nnc(C)n1-2
|
Cc1[nH]ncc1CNS(=O)(=O)c1ccc(S(C)(=O)=O)cc1
|
CCOC(=O)c1nc(C[NH+]2CCCC(CNS(C)(=O)=O)C2)cs1
|
Cc1cc(Cl)c2nc(Cl)c(C(C)C)cc2c1Cl
|
O=CCn1cnc2c1C[NH+](Cc1ccccc1)CC2
|
O=C(NC(CO)CC1CCCCC1)C1CC2CCC1O2
|
Cc1cc(C)cc(NC(=S)N(CC(C)C)C2CCS(=O)(=O)C2)c1
|
CC(=O)OCC(C)(O)C(O)C(C)(O)C(O)C(C)O
|
COc1cc(C)nc(C[NH2+]CCc2cccc(C)c2)c1
|
Cc1ccc(C[NH2+]CCc2ccc(Cl)cc2Cl)c(Br)c1
|
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)C(NC(=O)C(c3ccc4c(c3)CCO4)S(=O)(=O)[O-])C2SC1
|
CC1(C)CC(=O)C2C(=Nc3nc(SCc4ccccc4Cl)nn3C2c2cccc(O)c2)C1
|
CC(C)C(C)(CNC(=O)OC(C)(C)C)NC(=O)c1ccc(Cl)s1
|
CN(C)C(=O)c1ccccc1NC(=O)C1=NNC(=O)CC1
|
[NH3+]CCOCCOCCNc1nc(NC2CCCC2)nc(c2ccccc2)n1
|
CS(=O)(=O)NCCNC(c1ccc(F)c(Cl)c1)C(F)(F)F
|
CCC(C)NC(=O)c1cc(C(=O)Nc2ccc(C(=O)OC)cc2)ccn1
|
CC1C[NH+](Cc2ccc(CNC(=O)COCC(F)(F)F)cc2)CC(C)O1
|
COc1cccc2c(CCCC[NH2+]C3COc4cccc(C(=O)NF)c4C3)coc12
|
CN(Cc1ccc(N(C)C)cc1)C(=O)c1cc[nH]c(=O)c1
|
CCCC1CN(CCC(F)(F)F)C(C)(C2CC2)C[NH2+]1
|
C[NH+]1CCC(CC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1
|
Cc1ccc(c2cc(C(=O)Nc3ccc(F)c(Cl)c3)c3c(C)nn(C4CCS(=O)(=O)C4)c3n2)cc1
|
O=C(CN1C(=O)C2CCCCN2C1=O)NC1CCOCC1
|
CCOc1cc(c2cccc(Cl)c2)nc2ccc(NC(=O)Nc3ccsc3C(=O)OC)cc12
|
C[NH+]=C(NCc1c(C)noc1C)NCC1CC1(C)C
|
CC1c2ccsc2CCN1C(C[NH3+])c1cc(F)cc(Cl)c1
|
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