smiles
stringlengths 7
778
|
|---|
CC(CCC(=O)[O-])NC(=O)c1nn(C)c2ccccc12
|
CNc1c(Cl)ncnc1N1CC[NH+](Cc2nccn2C)CC1
|
Cc1cc(C)c(C)c(OC(=O)c2cc3ccccc3oc2=O)c1
|
CCC(=O)NCC(=O)Nc1ccc(c2nc3c(F)cccc3[nH]2)cc1
|
CC(c1ccc(Cl)cc1)N(C)C(=O)CC1CCCCC1[NH3+]
|
CCCCCCCCCN(CCCCCCCCC)c1ccc(C=Cc2ccnc3ccccc23)cc1
|
CCOc1ccc(C([NH3+])c2nccnc2OC)cc1
|
BrC(c1ccc2c(c1)-c1ccccc1C2)C1CCOC1
|
CCNC(NC1CCN(C(=O)C2CCCCC2)C1)=[NH+]Cc1ncccc1F
|
CS(=O)(=O)c1ccc(c2noc(CC3CC[NH2+]C3)n2)cc1
|
Clc1cccc(COc2nnc(Cl)c3ccccc23)c1
|
Cc1ccc(NC(=O)CS(=O)CC(=O)N2CCN(c3ccccc3)CC2)cc1C
|
CCCNc1nnc(C(=O)Nc2ncc(C)s2)s1
|
CC1(C)c2cc(c3ccc4c(c3)c3cc(c5ccc(c6ccccc6)cc5)ccc3n4c3ccccc3)ccc2-c2c1ccc1c2oc2ccccc21
|
C[NH2+]CCCC(=O)N1CCN(C(=O)C(C)Oc2ccccc2C)CC1
|
C#Cc1ccc(c2nc(N)c(OC)c(C(=O)[O-])n2)c(F)c1
|
CNc1nc(c2ccc(OC)c(Br)c2)nc(COC)c1Br
|
CCCCCCCCCCCCCCCCCCC=CPC=CCCCCCCCCCCCCCCCCCC
|
Cc1ccccc1C1(C(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)CCCCC1
|
Cc1ccc(F)cc1NC(=O)c1cccc(NC(=O)C[NH+]2CCC(C(=O)NCCC(=O)Nc3cccc(C(=O)Nc4ccc(F)cc4F)c3C)CC2)c1C
|
COCC(=O)NCC(c1ccsc1)n1cccn1
|
C(#Cc1ccc(C[NH+]2CCC(OCc3cnc[nH]3)CC2)o1)c1ccccc1
|
NC(=[NH+]O)c1cc(Sc2nc3ccccc3s2)ccn1
|
CCCS(=O)(=O)Nc1nccnc1N1CCN(C(=O)Nc2ccc(C(C)C)cc2)CC1
|
COc1ccc(C(=O)Nc2cc(NC(=O)CNC(=O)C3CC[NH+](C(C)C(=O)Nc4ccc(C(=O)Nc5ccccc5)cc4C)CC3)ccc2F)cc1
|
CCNc1c(C[NH+](C)CC2CC3CCC2C3)c(C)nn1C
|
Cc1ccc(C)c(NCc2cccc(Oc3ccccc3)c2)c1
|
COc1cc2c(cc1OC)CC(COC(C)=O)N(C(=O)OCc1ccccc1)CC2
|
CCOC(=O)COc1ccc(Nc2nc(C)nc3ccccc23)cc1
|
CN(Cc1ccc(C#N)cc1)C(=O)CC1([NH3+])CCCC1
|
O=C(NC1CCCCC1)C1CCCN1C(=O)Cc1ccc2c(c1)OCCO2
|
COc1cc(C(O)c2cccs2)cc(OC)c1c1cc(Cl)cc(Cl)c1
|
Cc1ccc(n2nccc2C(NS(=O)(=O)c2ccc(Cl)s2)C(C)C)cc1
|
[NH3+]CCC[NH+](CC1CCOCC1)C1CCC1
|
CC(NC(=O)Cc1cccc(O)c1)C(C)(C)C
|
CC(C)[Si](C)(CCCl)C(C)C
|
O=C1c2ccc(Cl)cc2CCN1c1cncc(c2cccc(C(F)(F)F)c2)c1
|
Cc1cccc(C)c1CN1CC(=O)NC(C2CC2)C1=O
|
O=C(CSc1ccc(F)cc1)NCc1ccc(OCc2ccccc2)cc1
|
CC(=O)Nc1ccc(C=CC(=O)NCC=C(C)c2ccc(C)c(CO)c2C)cn1
|
COc1ccccc1c1nnc(NC(=O)C(C)C)o1
|
CC(=CC(F)(F)c1ccc(F)c(F)c1F)C(=O)[O-]
|
COC1COCCC1[NH2+]C1C=CC2(C1)C(=O)N1C3CC(C1C2C)N(c1cc(C(F)(F)F)ccn1)C3
|
CN(C[NH2+]C(COC(=O)CCC(O)O)C(=O)[O-])C(=O)CCCCC1SCC2NC(=O)NC21
|
COCCN(CC(=O)N(C)C)C(=O)OCCO
|
CCCOc1ccccc1c1ccc(C(=O)[O-])o1
|
C[NH2+]C1(c2ccc(OC)c(C)c2OC)CC1C
|
CC([NH3+])CCC(=O)N1CCNC(=O)CC1
|
Cn1c(N)c(C(N)=O)c2snnc2c1=O
|
CSc1c(O)c(C(F)F)cc2ccsc12
|
Cc1nc(SCc2cn3cccc(C)c3[nH+]2)c(C#N)c(C)c1C
|
CCOC(=O)c1cccc(c2cc(C)cc(N)c2)n1
|
Cc1cc(N2CCC([NH3+])CC2)nc2nn(CC(F)F)c(C)c12
|
Oc1cccc2c[nH+]c(C3CC[NH2+]CC3)n12
|
C=CCOc1ccccc1C[NH2+]CC(C)OCC
|
CC(C)Sc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1
|
CC1(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)CCCC1
|
C#Cc1cc(=O)oc2cc(NC(C=O)C(O)C(O)C(O)CO)ccc12
|
COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(OC3CCCC3)cc2)cc1OC
|
Cc1c(NC(=O)CCc2ccccc2)cccc1C(C)C
|
[NH3+]C1CCCN(Cc2nccc3ccccc23)C1
|
Cc1ccc(S(=O)(=O)NC(C)C(=O)Nc2ccnc(c3cc(c4ccon4)n(Cc4ccccc4F)n3)n2)cc1
|
Cc1cc(C)nc(Nc2cc(NC3CCCCC3N(C(=O)[O-])C(C)(C)C)nnc2C(N)=O)c1
|
[N-]=[N+]=NC(CO)C(CO)N=[N+]=[N-]
|
Cc1cccc(NCc2ccccc2OCC#N)c1Br
|
C=CC(=O)N1CCC(c2nc(C(N)=O)c(c3ccc(C)cc3)s2)CC1
|
O=C1CCCN1C(CCCO)Cc1ccccc1
|
Cc1cc(C)n(c2cc(NCCNS(=O)(=O)c3ccccc3OC(F)(F)F)nc(C)n2)n1
|
COc1ccc(NC(=O)CSc2nccn3nc(c4ccc(F)cc4)cc23)c(OC)c1
|
N#Cc1nnn(c2ccc(F)cc2)c1c1ccccc1
|
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1N1CC2(CC[NH+](C(C)C)CC2)OC1=O
|
CC(NC(=O)NCC(F)(F)F)c1ncc[nH]1
|
O=C1OC(Nc2nc3ccccc3s2)(c2ccccc2)c2ccccc21
|
CC[NH2+]Cc1cc(S(=O)(=O)N2C(C)CCCC2C)cn1C
|
CCCCCCc1ccc([n+]2c3ccc4cccc5c6cccc7c8cccc9ccc2c(c98)c(c67)c3c45)cc1
|
CONC(=O)NCCC(NC(=O)C(Cc1ccc(Cl)cc1)NC(=O)C(Cc1ccc2ccccc2c1)NC(C)=O)C(=O)NC(CO)C(=O)NC(Cc1ccc(NC(=O)C2CC(=O)NC(=O)N2)cc1)C(=O)NC(Cc1ccc(NC(N)=O)cc1)C(=O)NC(CC(C)C)C(=O)NC(CCCC[NH2+]C(C)C)C(=O)N1CCCC1C(=O)NC(C)C(N)=O
|
Cc1cn(CC(=O)[O-])c(=O)n(Cc2ccccc2)c1=O
|
CCOC(=O)OC1CCN(c2ncnc(N(C)c3ccccc3)c2[N+](=O)[O-])CC1
|
CC1(C)[NH+]=C(N2CCCCC2=O)c2cc([N+](=O)[O-])ccc2O1
|
CCCCCCCCCCCCCCCCCc1cccc(O[P+]([O-])([S-])[S-])c1CCCCCCCCCCCCCCCCC
|
O=C(Cn1nc(C(F)(F)F)c(Br)c1C1CC1)Nc1cc([N+](=O)[O-])ccc1Cl
|
COC1(C(NN)c2cc3cccc(Cl)c3o2)CCCC1
|
CN(C(=O)Cc1ccc(Br)s1)C(C)(C)C(=O)[O-]
|
Cc1nc(C)c(C(=O)Nc2cc(Cl)ccc2C#CCO)s1
|
CCOc1cc(Cl)c(C[NH2+]CCc2ccccc2)cc1OCC
|
CCOC(=O)c1oc2ccccc2c1CN1CC[NH+](CC(=O)N(CC)CC)CC1
|
CC(CC[NH+](C)C)NC(=O)c1ccc(NN)cn1
|
Cc1ccc(NC(=O)COc2ccc(C=C3SC(=O)N(CC(=O)N4CCCC4)C3=O)cc2Br)cc1Cl
|
O=C(NS(=O)(=O)c1ccc(Br)cc1)c1cccnc1
|
COc1cccc(C2C(c3cccc(C)c3)=C(O)C(=O)N2c2cc(OC)ccc2OC)c1
|
CCCS(=O)(=O)Nc1ccc(C(=O)c2cccnc2)cc1
|
c1ccc(Nc2ccc3c(c2)sc2c3cc(N(c3ccccc3)c3cccc4ccccc34)cc2c2cccc3ccccc32)cc1
|
O=C(CN1CCC[NH2+]CC1)Nc1ccccc1OC(F)(F)F
|
CCOC(=O)CC1=CC(SCC(=O)Nc2ccc(C)c(Cl)c2)=Nc2ccccc2N1
|
CCC(=O)c1cc(CO)cc(C(=O)OC)c1
|
COc1cc(OC)cc(C(=O)Nc2ccc(OC)cc2N)c1
|
CC1(C)CC(n2cnnc2SCC(=O)[O-])CC(C)(C)C1
|
CSc1ccc(NC(=O)C(C)n2cnc3ccccc32)cc1
|
Nc1ncc([N+](=O)[O-])c(Nc2cccc(F)c2)n1
|
CCCCC[NH2+]Cc1csc([N+](=O)[O-])c1
|
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