smiles
stringlengths 7
778
|
|---|
c1ccc(c2cccc(N(c3ccc(c4ccc5cc6c7ccccc7c7ccccc7c6cc5c4)cc3)c3cccc(c4ccccc4)c3)c2)cc1
|
CC(C)COc1cccc(C2Nc3ccccc3C(=O)N2Cc2ccco2)c1
|
C=CC(=O)OCC(CO)(CO)COCC(CO)(CO)COC(=O)C=C
|
O=C1OC(c2ccccc2)(C(F)(F)F)C(=O)OC1(c1ccccc1)C(F)(F)F
|
Cc1nn(C)cc1c1nc(c2cccc(C(=O)[O-])c2)no1
|
CC(C)Cn1ncnc1CC=CCC[NH3+]
|
COc1csc(C(=O)N2CCC(OCCC(=O)[O-])CC2)c1
|
COCCN(CCOC)c1ncnc(N2CCC(Cc3ccccc3)CC2)c1N
|
CCCN(C(=O)C(F)(F)F)C1CC(n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(N4CCC([NH2+]C)C4)nc32)C(O)C1O
|
C[NH+]1CC(CN2CCC(=O)NC2=O)=CC2c3cccc4[nH]cc(c34)CC21
|
COc1c(C(=O)NCc2ccc(c3nn(C4CCC[NH2+]C4)c4ncnc(N)c34)cc2)cccc1C(F)(F)F
|
CC(C=C(Cl)Cl)=NO
|
NC(=O)Cc1nc(NC(=O)NCc2cccc(F)c2)sc1F
|
CC(=O)SC(CC(=O)OC(=O)C1CCC[NH2+]1)C(F)(F)F
|
O=C(Nc1scnc1C1CC1)NC1(c2ccc(Cl)cc2)CCOCC1
|
CCCCCCCCCCCCCOC(CCCCCCCCC)CCCOP(Oc1ccccc1)Oc1ccccc1
|
CC(NC(=O)C[NH+]1CCN(Cc2cccs2)CC1)c1ccc(Br)cc1
|
CCCC1CN(c2ncnc3sccc23)CC1C(=O)[O-]
|
COc1cccc(N2CC[NH2+]CC2C(=O)c2nc(c3ccc(Cl)cc3Cl)c(c3ccc(Cl)cc3)o2)c1
|
CCNC(=[NH+]CCCCn1c(C)cccc1=O)N(C)Cc1csc(C(C)OC)n1
|
COC(=O)c1csc([NH+]=C(C)N)c1
|
CC(C)CC(=O)OC([NH3+])c1cccnc1c1ccc(OCC2CC2)c(C(N)=O)c1
|
CCCNC(=O)C(Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccccc1CC)S(=O)(=O)c1ccc(C)cc1
|
Cc1ccc2[nH]nc(C(=O)N3CCC(NS(=O)(=O)c4cccs4)CC3)c2c1
|
CC1C(=O)CCC2(O)C3Cc4ccc(O)c(O)c4C12CC[NH+]3C
|
CCCC([NH3+])C(=O)Nc1ccc(C)cc1OC
|
O=C(CC1Cc2cc(Cl)c3[nH]ncc3c2CN(CC(F)(F)F)C1=O)N1CCC(n2cc[nH]c2=O)CC1
|
C=C(O)c1c(F)cccc1c1nccc2ccccc21
|
O=C([O-])CC1CCCN(c2ccc(C(=O)NC3C4CC5CC(C4)CC3C5)cn2)C1
|
COCc1nccc(N2CCC(Oc3cccc4c3ccn4C3CCOC3)CC2)n1
|
CN(C)c1ccc(N2CCC(C[NH2+]C(C)(C)C)C2)cc1
|
[NH3+]C(COCC(F)F)(C(=O)[O-])c1ccccc1
|
CCCCc1ccc(C#N)c(SC(CC)C(=O)Nc2cc(OC)ccc2OC)n1
|
C1#Cc2cc(c3cccc4c5ccccc5sc34)ccc2-c2ccc(c3ccc4ccccc4c3)cc21
|
CC(C)(C)c1ccc(N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)cc1
|
Cc1ccc(c2ccc(c3cnc(c4cc(F)c(C(C)C)c(F)c4)nc3)c(F)c2)cc1
|
Cc1ccc(C(C)Nc2nn(C)c(=O)n(C)c2=O)s1
|
CCNC(=[NH+]CC(O)c1ccc(OC)cc1)N1CCN(c2ccc(OC)cc2)CC1
|
CC(=O)Oc1ccc(NC(=O)CSCc2ccccc2)c(C(=O)[O-])c1
|
CCCCCCC(C(=O)NCC(=O)N(C)C)[NH+](C)C
|
CCN(CC)c1ccc(NC(=O)CCCCCCCCC(=O)OC)cc1
|
Clc1c2c(c(Cl)c3c1=Nc1cc4c(cc1O3)-c1ccc(c3ccccc3)cc1C4)=Nc1cc3c(cc1O2)-c1ccc(c2ccccc2)cc1C3
|
Nc1ccccc1Nc1nc2ccc(c3ccc4cc[nH]c4c3)cn2n1
|
OCCc1ccc(OCC(CO)[NH2+]C2CC2)cc1
|
COc1ccc(C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)C2c2ccc(OCC(C)C)cc2)cc1OC
|
CC(c1cccc(Br)c1)n1cnnc1Cl
|
Cc1c(C(O)C[NH+]2CCN(C(=O)OC(C)(C)C)CC2CO)csc1C#N
|
Cc1c(Br)cccc1C(NN)c1c(F)cccc1F
|
C=CC(=O)OC(F)(F)C(F)(F)F
|
CNC(=O)Nc1ccc(NC(=O)c2cc3ccccc3s2)cc1
|
O=C(CC(CP1(=O)Oc2ccccc2-c2ccccc21)C(=O)OCCCO)OCCO
|
Cc1c(NC(C)c2ccc(C#N)cc2F)cnn1C1CCCC1
|
Cc1ccc(C)c(NC(=S)NC(Nc2nc(C)cc(C)n2)=[NH+]CC2CCCO2)c1
|
COC(=O)C1=C(C(F)(F)F)NC(C)=C(C(=O)OCCc2ccc(OCC(O)C[NH2+]C(C)C)cc2)C1c1ccccc1Cl
|
C[NH+](C)CCNc1ncnc2c1sc1nc(N3CCCC3)c3c(c12)CC(C)(C)OC3
|
CN(C(=O)OC(C)(C)C)C1CCC([NH2+]Cc2ccn(C)c2)CC1
|
NC(=S)C(C1CC1)N1C(=O)C2CC2C1=O
|
COc1ccc(c2nc(C3CCCCC3)sc2C[NH+]2CCC3(CC2)CN(c2ccccc2)C(=O)O3)cc1
|
C[NH2+]CCCC[NH+](C)Cc1cc(C)ccc1OC
|
COc1ccc(CNc2nc(c3ccc(C(C)(C)C)cc3)nc3cc(=O)[nH]n23)cc1
|
CCN(Cc1cc(=O)c(OC)co1)[N+]#N
|
CC1(F)CC[NH+](CC(=O)[O-])CC1
|
CCc1cc(OC(F)(F)F)cc2c1OC(COC(=O)CCO[N+](=O)[O-])(C(F)(F)F)C=C2
|
CCOC(=O)c1c(OCC)oc(N(C)c2ccccc2)c([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1=O
|
O=C(NC1CCN(C(=O)CNC(=O)c2ccccc2I)CC1)c1ccccc1
|
CC1CCCN(C(=O)c2ccc(NCCc3ccccc3F)cn2)C1
|
CN(CC1CC(Cl)C1)c1nccn(C(C)(C)C)c1=O
|
Nc1cc(Br)cc(C(F)(F)F)c1I
|
CCCc1[nH+]ccn1CCOc1cccc(C[NH2+]CC)c1
|
NC(=O)C(Br)Cc1cccc(F)c1
|
CS(=O)(=O)N1CCCc2cc(C(=O)COC(=O)c3ccc(F)cc3F)ccc21
|
CC(O)C[NH+]1CCC(C[NH2+]Cc2ccncc2)C1
|
CCOC(=O)N1CCC(=O)C(C[NH+](Cc2ccccc2)Cc2ccccc2)C1
|
CCCCOC(=O)c1ccccc1N1C(=O)C(O)=C(c2ccc(OC)cc2)C1c1ccccn1
|
O=C([O-])c1ccc(C=C2[NH+]=C(c3ccccc3F)N(c3ccc(Cl)cc3)C2=O)cc1
|
O=C(CSc1nc2ccccc2s1)N1CCN(c2cc[nH+]cc2)CC1
|
Cc1[nH]nc2c1C(c1ccc(OCc3ccc(Cl)cc3Cl)c(Br)c1)C(C#N)=C([NH3+])O2
|
CCO[Si](CNC(=O)C[N+]1=C(C=C2C(=O)C(C=C3N(CC)c4ccccc4C3(C)C)=C2O)C(C)(C)c2c1ccc1ccccc21)(OCC)OCC
|
CC(c1cccs1)N(C)c1ccc([N+](=O)[O-])c(N)c1
|
Cn1ccc(Nc2cc(C(=O)NCC(O)C[NH+]3CCc4ccccc4C3)ccn2)n1
|
CC(NC(=O)C(CCC[NH+]=C(N)N)NC(=O)C(CO)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CC(=O)[O-])NC(=O)C1CCCN1C(=O)C(CCCC[NH3+])NC(=O)C[NH3+])C(C)C)C(=O)[O-]
|
CCCCOC(=O)N(C(C)CO)C1CCCCC1
|
CCCSc1nc2ccc(Cl)cc2c(=O)n1CC(C)C
|
COc1nc(C)cnc1CNC(=O)C1CC1F
|
CC(C)(C(=O)N(Cc1ccccc1)c1ccccn1)n1nc(c2ccco2)ccc1=O
|
COCCCOCCOCc1cc(F)ccc1C(=O)[O-]
|
CCC(C)NC(=O)C(CC)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1OC
|
CC[NH+]1CCN(C(=O)c2nn(CC[NH+]3CCCCC3)c3ccccc23)CC1
|
Nc1ccc(N2CCC([NH+]3CCOCC3)C2)nc1N
|
CCC[NH2+]C1CCN(c2c(C)cc(C)cc2C)C1=O
|
CN(N=Cc1ccc[nH]1)c1ccccn1
|
O=C(NCc1ccccc1)C1C[NH2+]Cc2ccccc21
|
CSCC(C)CNC(=O)c1cc(N)c(Cl)c(Cl)c1
|
CC(C)N1C(=O)NC2CC1(C)Oc1ccccc12
|
CCCCCC(CCCC1=C(Cl)C(Cl)CCC1)NC(=O)OC
|
CC1=NN(CC2CC2)C(=O)C1F
|
CCOC(=O)c1c(NC(=O)c2cc(c3ccco3)nc3c2cnn3C(C)C)sc(C(=O)NC)c1C
|
COc1cc(C(C)C)ccc1c1n[nH]c(C)c1C(=O)[O-]
|
CC(C)(C(=O)[O-])c1ccc2ccn(C3CCC3)c2c1
|
O=S(=O)(c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1Cl)N1CCCCC1
|
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