smiles
stringlengths 7
778
|
|---|
C=CC(=O)NC1C=C(I)CC1
|
[C-]#[N+]c1ccc(Nc2ncnc(OCC34CCN(C(=O)OC(C)C)CC3C4)c2C)c(Cl)c1
|
CCCNC(=O)C[NH2+]CC(=O)N(CC)C1CC1
|
Cc1nnc(c2ccccc2)n1C(=Cc1cccc2ccccc12)C(=O)[O-]
|
Cc1c(NC(=O)CNC(=O)C2CC[NH+](CC(=O)Nc3cc(C(=O)NC4CCCC4)ccc3Cl)CC2)cccc1C(=O)Nc1ccccc1F
|
COc1ccc(C=C2SC(=O)N(C[NH+]3CCN(c4ccc(C)cc4)CC3)C2=O)cc1OC
|
COc1cc(O)ccc1CCCC(=O)[O-]
|
COc1ccc(NC(=O)c2ccc(O)c(Nc3cc(Cl)cc(Cl)c3)c2)cc1O
|
CCNC(=[NH+]CC1CCCOC1c1ccccc1)N1CCCC(C)C1
|
CC[NH+](CC(=O)Nc1ccc(NC(C)=O)cc1)CC(=O)Nc1ccc2c(c1)CCC2
|
Cc1cccc(NC(=O)CCNc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])n1
|
O=C(NCCO)C(Sc1ccccc1Cl)c1ccccc1
|
O=c1ccc(OCCC[NH+]2CCC(c3noc4cc(F)ccc34)CC2)nn1c1cc(Cl)cc(Cl)c1
|
CCCc1[nH+]ccn1CCC(C)(C#N)NCC
|
C[NH+](CCc1ccccc1)CCC1CCC(O)C(C(=O)Nc2ccccc2)O1
|
CCCCC(CC)C(OCC[NH3+])c1cccc(C)c1
|
COC(C)C(=O)N(Cc1ncc[nH]1)c1cncc(Br)c1
|
CCn1c(=O)oc2ccc(C(=O)CC[NH3+])cc21
|
Cc1cc(Nc2nccc(c3cn(C)cn3)n2)cc2cc(C(=O)N3CCS(=O)(=O)CC3)[nH]c12
|
CC(=O)NCc1ccc2c(c1)CC(c1ccccc1)OCCN2C
|
O=C(Nc1ccc(N2CCNC2=O)cc1)c1ccc(Cl)c(NC(=O)c2cccs2)c1
|
O=C(N1CCC(S(=O)(=O)c2ccc(n3ccc(C(F)(F)F)n3)cc2)C1)C1(C(F)(F)F)CC1
|
C[NH+]1CCN(C(=O)c2nc(Br)c(C(F)(F)F)nc2N)CC1
|
CC1CCC(Oc2ccc(C3CSC(N(Cc4ccc(C(=O)[O-])cc4)Cc4cccs4)=[NH+]3)cc2)CC1
|
O=C(c1cc(c2ccccc2)n[nH]1)N1CCc2sccc2C1c1cccs1
|
CCCN1C=C[NH+](CCC)C1c1ccccc1
|
C[NH2+]C(Cc1c(C)cccc1C)c1ccnc(C)c1
|
CCCCOCCOCCOc1ccc(CC#N)cc1
|
CCc1ccc(Oc2c(C(F)(F)F)oc3c(C[NH+](C)C)c(O)c(CC)cc3c2=O)cc1
|
CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cn(Cc4ccc(Cl)cc4)c4ccccc34)c(=O)n2C1c1ccc(Cl)cc1
|
COC(=O)c1ccc(NC(=O)CSC2=[NH+]C(=Cc3ccc(Cl)c(Cl)c3)C(=O)N2c2ccc(C)cc2)cc1
|
CC(C)(C)OC(=O)NC(CNC(=O)C1CCCN(C(=O)C=CC2CC[NH2+]CC2)C1)C(=O)[O-]
|
CCCCN(C)c1cc(C(=O)Nc2ccc(C(C)(C)C)cc2)ncn1
|
CC(c1ccc(Cl)cc1)[NH+](C)C1CCCCC1C(=O)[O-]
|
C=CC(C(=O)OCC)(C(=O)OCC)C1CC[NH2+]CC1
|
CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)N(C)CC2CCCO2)cc1)c1nc2c(OC)ccc(OC)c2s1
|
O=C(NCC[NH+]1CCCC1)C1=C[NH+]2C3CCCCC3OC3C([NH+]4CCCC(O)C4)CCC(C1=O)C32
|
CC(Sc1nnnn1CC[NH2+]C1CC1)C(=O)NC1CC1
|
C[NH2+]C(C)(CO)CCCC[NH+](C)C1CCCCC1
|
CN(Cc1ccc(C([NH3+])C(N)=O)cc1)C(=O)OC(C)(C)C
|
Nn1c(SCCC[NH+]2CCN(c3ccc4ccccc4n3)CC2)nc2c(c1=O)CCCC2
|
[NH3+]Cn1c(=O)[nH]cc(CC(F)CCCl)c1=O
|
Nc1cnc(F)c(C(F)F)c1C[NH3+]
|
O=C1OC(Oc2cccc([N+](=O)[O-])c2)(c2ccccc2)c2cccc3cccc1c23
|
CCN(C(=O)CSc1nc2sc(C)cc2c(=O)[nH]1)c1ccccc1
|
COc1cccc2sc(N(Cc3cccnc3)C(=O)c3cccc([N+](=O)[O-])c3C)nc12
|
COc1cccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3c2cccc(Cl)c2C)c1
|
CC1(C)CC(=O)C2=C(C1)Nc1c(c(=O)[nH]c(=O)n1Cc1ccccc1)C2c1ccccc1
|
O=C1C(c2ccccc2)c2ccccc2N1Nc1ccccc1
|
Cc1cc(NC(=O)C2CCCN2C(=O)C2CC[NH+](CC(=O)Nc3cccc(C(=O)N4CCCCC4)c3C)CC2)ccc1NC(=O)c1ccccc1C
|
CCC(C)C(NC(=O)C(Cc1ccccc1)NC(=O)C([NH3+])CO)C(=O)NC(CCC(N)=O)C(=O)[O-]
|
CCC(CC)[NH2+]C1CC2COCC(C1)N2C(F)(F)F
|
CC(C)C(NC(=O)OCc1ccccc1)C(=O)OCC(=O)c1ccc2c(c1)CCC2
|
Cc1[nH]c2ccc([N+](=O)[O-])cc2c1Cc1ccc(Cl)cc1
|
CN(CC1CCCCO1)c1ncc(C[NH3+])cc1Cl
|
Cc1cscc1Cn1c(C)cc2c1CC(C)(C)CC2[NH3+]
|
O=C([O-])c1cc([N+](=O)[O-])cnc1N1CCCC1CCCO
|
COCC[NH+]1CCN(c2ccc(NC(=S)NC(N)=S)cc2)CC1
|
CC(C)(NC(=O)N1CC(n2cc(C(=O)[O-])nn2)C1)C1CC1
|
CCOP(=O)(CC(C)=CC#N)OCC
|
C[NH+](C)CCC[NH2+]Cc1ccc2c(c1)COC2
|
O=C([O-])c1[nH]nc(c2ccc(Cl)cc2Cl)c1Br
|
O=[N+]([O-])c1ccccc1N1CCC(c2nc3ccccc3s2)CC1
|
[C-]#[N+]c1ccc(Nc2ncnc(OC3C4COCC3CN(C(=O)OC3CC3)C4)c2OC)c(F)c1
|
CCCC1(C(=O)N(C)Cc2ccoc2C)CCC[NH2+]1
|
CCOC(=O)CC(c1cc(F)cc(Cl)c1)[NH+]1CCOCC1
|
Cc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1F
|
CC(C)C(CO)[NH2+]Cc1ccc(OCc2cccc(C(F)(F)F)c2)cc1F
|
Fc1cc(I)c2ccsc2c1CBr
|
COC(=O)C1OC(Oc2cc3c(c4c(C)csc24)C(CCl)CN3C(=O)OC(C)(C)C)C(OC(C)=O)C(OC(C)=O)C1C
|
O=C(CCCN1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1
|
O=C(CCCCOc1ccc2[nH]c(=O)ccc2c1)N(CC(O)CCl)CC1CCCCC1
|
O=C([O-])c1ccc(Cn2nnc3ccc(c4cc(NC(=O)C5CCC[NH2+]C5)ncc4Cl)cc32)cc1
|
Cc1cccc2c(CC(=O)N3CCCC3CC(=O)[O-])c[nH]c12
|
CCOc1c(NCCC[NH+](C)CCCNc2c(C)c(=O)c2=O)c(=O)c1=O
|
CCCCOCCNc1cnc(C#N)cn1
|
O=C(Nc1ccc(NCCc2ccccc2F)nn1)C1CC1
|
CC(C)C(O)C(O)Cc1ncnn1C(C)C
|
CC[NH2+]C(Cc1ncnn1CC)CC1CCCCCC1
|
CCCC1CC(=O)N(Cc2cnc(Cl)cn2)C1
|
O=C1C[NH+](C2CCCCC2)CC(C(=O)[O-])N1
|
CN(C)C(=O)C(=O)C1(c2nc(C(=O)NCc3ccc(F)cc3)c([O-])c(=O)n2C)CC(F)(F)CN1
|
COC(=O)CCC([NH3+])c1cc(F)c(Br)cc1F
|
O=c1nc(Cn2c(=O)onc2c2ccccn2)[nH]c2ccccc12
|
O=C([O-])C1=C(c2ccccc2)n2nnnc2SC1C(=O)[O-]
|
C#Cc1cc(N(C)c2ncnc3cc(OCCOC)c(OCCOC)cc23)ccc1I
|
CC(CC(C#N)NCc1cccs1)c1ccccc1
|
CC1NNC(C)C1C[NH2+]C(c1ccc(Cl)cc1)C1CC1
|
CCOC(=O)C1(c2ccc(N=O)c(OCC3CC3)c2)CCCC1
|
COc1ccccc1n1cc(C(C)n2cc3[nH]cccc-3c2=O)cn1
|
CCC[NH2+]C(COC)CN1CCC2CCCCC2C1
|
Cc1noc(CCNc2cccnn2)n1
|
CN(C(=O)c1ccccc1NC(=O)C[NH3+])C1CCCCC1
|
Cc1nc(N)cc(NCC2(C)CCC2)n1
|
Nc1nc(NCCC2CC2)nc(n2cncn2)n1
|
CCC[NH2+]C1CCN(S(=O)(=O)CCOC(C)C)CC1C
|
O=C1CSC(=O)N1C1CCCCC1NS(=O)(=O)c1ccc2oc(=O)[nH]c2c1
|
C[NH+](CC(=O)NC1CCCC1)CC1CC[NH2+]CC1
|
CCS(=O)(=O)NCCNC(=O)c1ccc(N2CCCCC2=O)cc1
|
C[NH+]1CCN(c2ccc(NC=C(C#N)C(=O)Nc3ccc(N)cc3)cc2)CC1
|
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