smiles
stringlengths 7
778
|
|---|
C[NH+]1CC=CC(I)=C1C=O
|
[NH3+]CC1(Cc2ccn(C3CCCC3)n2)CCCOC1
|
COc1ccc(Oc2c(C)cc([N+](=O)[O-])cc2C)cc1S(=O)(=O)Cl
|
CCCNC(=O)c1cc(C)nc(NCC[NH+]2CCOCC2)n1
|
C[NH2+]Cc1cnoc1C1CCCCC1
|
CCN(Cc1ccccc1)C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21
|
C[NH2+]C(C)c1cnc(c2cc(C)c(C)cc2C)s1
|
CC1=CCN(C(=O)Cc2nnc(C)o2)CC1
|
Cc1ccc(C#N)c(Nc2cc(Br)ccc2F)c1
|
Cc1cccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3c(C)cc(Br)cc3C)cc2)c1
|
COc1cccc(N(C(=O)c2cccc(Cl)c2)C2CC[NH+](Cc3cccc(F)c3)CC2)c1
|
CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)c1cccc(CC#N)c1
|
CCCCOCCCNC(=O)CN1C(=O)c2ccccc2C1c1c(C)n(C)c2ccccc12
|
Cc1cc(OCC(=O)NC(=S)Nc2cccc(C(=O)[O-])c2C)ccc1Cl
|
C=CCC1C(O)CC(OC)N1C(=O)OC
|
CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)N1CCS(=O)(=O)CC1
|
CC(C)c1sc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)cc(=O)n2c1C1CC1CO
|
O=S(=O)(C1CC1)n1cc2c(n1)CN(C1CCC(c3cc(F)c(F)cc3F)[NH2+]C1)C2
|
Cc1cc(c2cncc3cc(C=C4SC(=O)[N-]C4=O)oc32)cnc1Cl
|
COC1(c2nc(CCCCl)cs2)CCCCCC1
|
O=C(NC1=CC=CC(CN2CCOCC2)[NH2+]1)C1=CNC2C=CC(c3ccc(F)c(F)c3)[NH2+]N12
|
CN(Cc1ccco1)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1
|
COc1cc(C(=O)N2CC(O)CC2C(=O)[O-])c([N+](=O)[O-])cc1OCc1ccccc1
|
Cc1[nH]n(c2cccc(Cl)c2)c(=O)c1C=Nc1c(Cl)cc([N+](=O)[O-])cc1Cl
|
COc1ccc(C)cc1CSc1nc2ccc(N)cc2o1
|
Cc1[nH+]cc(CCC(C)Br)n1C
|
COc1ccc(N2CC(C(=O)N(C)Cc3ccc(C)o3)CC2=O)c(OC)c1
|
CN(C)c1ccc(C(c2ccc(N(C)C)cc2)c2ccc3cccccc2-3)cc1
|
C[NH2+]C(Cc1cccc([NH+]=C(N)N)c1)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)[O-])c4cc(O)cc(O)c4-c4cc3ccc4O)C(O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O
|
N#Cc1[nH]c(S(=O)(=O)Cl)cc(=O)c1C(F)F
|
N#Cc1ccc(Br)cc1Sc1cc2ccccc2[nH]1
|
CCOc1c(Br)cc(C(C[N+](=O)[O-])Sc2nnc(C)n2c2ccc(C)cc2)cc1OC
|
CCOCC(C)Nc1ccc(O)cc1C
|
COc1ccc(NC(=O)c2sc(c3cccc(Cl)c3)nc2C)c(OC)c1
|
O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)Nc1ccc(F)cc1[N+](=O)[O-]
|
CCCn1c(CN(C)C(=O)c2cccc(Cl)c2)nc2ccccc21
|
CC1CC[NH+](CCOCCO)CC1O
|
S=C(NCCCc1cccc2ccccc12)Nc1ccc(OC2CCCC2)cc1
|
CC(C)c1[nH]nc2c1C(c1ccccc1OCCS(C)(=O)=O)N(c1ccc(c3ccsc3)cc1)C2=O
|
CC(=O)Oc1ccc2c(c1)CCC1C2C(O[N+](=O)[O-])CC2(C)C(=O)CCC12
|
COC(C)C(O)C1CC(C)(C)OC1(C)C
|
Cn1nccc1C1OCCC1CNC(=O)C1CSCN1C(=O)C1CCC1
|
CCOc1ccc(C=C(C(=O)N2CCN(c3nc4ccc(CC)cc4s3)CC2)c2ccccc2)cc1
|
CCc1cc2c(=O)n(NC(=O)c3cc4c(s3)CCCC4)cnc2s1
|
COc1nccc(OC2CCCN(C(=O)c3cccn(C)c3=O)C2)n1
|
COc1cc(C)c(CN(C)c2cccc(C)n2)cc1OC
|
O=C(Cn1cncn1)NN=Cc1ccc(F)cc1
|
C1CCCC(OCC[NH+]2CCCCC2c2nnc(C3CCOCC3)o2)CC1
|
C=C(OP1(=O)SCCCS1)C(=O)c1ccccc1
|
CCOc1ncc(C2CC2)cc1C(C)CC
|
CC1CN(c2ccc(F)cc2C(N)=[NH+]O)CCS1
|
COC(=O)Cc1cc2c(N)c(C)ccc2s1
|
C=CCOc1ccc(C[NH+]2CCCC(O)C2)cc1Cl
|
c1cc(NC2CC[NH+](Cc3cc4n(n3)CCCC4)CC2)ncn1
|
COC(=O)c1c(C)ccc2c(N)csc12
|
Cc1cc2nn(c3ccc(F)cc3)nc2cc1NC(=O)c1ccc(c2cc(Cl)ccc2Cl)o1
|
COC(=O)c1ncccc1C
|
COCC(C)NC(=O)C(=CCCCCC(=O)NOC1CCCCO1)COc1cccc2ccccc12
|
CC(Sc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)C(=O)Nc1ccccc1C(N)=O
|
CC1OC(OC2C(O)OC(CO)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1O
|
CC12CC3(C(=O)N4CC(CCl)c5c4cc(N)c4ccccc54)CC1C32
|
CCc1cccc2ccc3c4ccccc4[nH]c3c12
|
O=C(CCC1CCCO1)N1CCC(c2nnc3ccccn23)CC1
|
[O-]Nc1nc(NCc2ccccc2)nc(N2CCC(Cc3ccccc3)CC2)n1
|
Cc1ccc(NC2=[NH+]C(C)CC(C)S2)cc1C(F)(F)F
|
Nc1cnc(NCCc2ccsc2)cn1
|
O=C(OCc1ccccc1)C(O)C1CC(C2CCCCC2)C[NH2+]1
|
Cn1nc(C(=O)N2CCCC(c3nnc4n3CC[NH+](C)C4)C2)c2ccccc21
|
CCC([NH2+]CCOC)(c1nccs1)C(C)C
|
Cc1ccc(c2nc3n(n2)C(c2sccc2C)C2=C(CCCC2=O)N3)cc1
|
C[NH2+]C1CCCC(n2cc(O)c(c3ccccc3)c2)C1
|
c1ccc2[nH]c(Nc3nccc(Nc4[nH+]cc5ccccn45)n3)nc2c1
|
CCC1(OC(=O)CC(=O)Cc2ccc(CCCCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C)cc2)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(C[NH+](C)C)c(O)ccc3nc2-1
|
C[NH2+]CC(O)c1cc(OC)c(OC)c(F)c1O
|
CC(C(=O)Nc1ccc(C(=O)N2CCC(C(=O)[O-])CC2)cc1)C1CC1
|
CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(C[n+]3cccc4c3ccn4Cc3ccc(C(N)=Nc4ccncc4)cc3)CSC12)c1csc(N)n1
|
CCc1nnc(CN2C(=O)C(=O)c3cc(Cl)ccc32)o1
|
c1ccc2c(c1)CCC([NH+]1CCC([NH2+]CC3CC3)CC1)C2
|
CNC(=O)C[NH2+]C1CCc2cc(C)ccc21
|
Cc1ccc(Br)cc1Oc1ncc(Br)cc1C(F)(F)F
|
Cc1cccc(C)c1OCCCNC(=O)Nc1ccc2cn[nH]c2c1
|
O=NCCOCCOCCN1C(=O)C=CC1=O
|
CCC(NC(=O)c1c[nH]c(=O)c(Cl)c1)c1nc(C)c(C)s1
|
[NH3+]C(Cc1ccccc1)CN1CC(CCCB(O)O)C([NH3+])(C(=O)[O-])C1
|
C=CC=CC(C)C(OC(N)=O)C(C)C(O)CCC=CC(C)C(O)C(C)C=CCCC1OC(=O)C(C)C(OCOC)C1C
|
CC(C)CCNC(=O)COC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1
|
CC(=O)N1CCCC1C(=O)NCCC1CCOC(C)C1
|
CCCCCCCCCc1ccc(OC(=O)C2CCC(c3ccc(CCCCCCC)cc3)CC2)c(C#N)c1
|
C=C(C(=O)c1ccc(F)cn1)C(F)(F)F
|
CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(C[NH+](C)Cc3ccc(CN4C(=O)CCc5ccccc54)cc3)ccc21
|
Cc1ccccc1NC(=S)Nc1c(C)nn(Cc2ccc(F)cc2Cl)c1C
|
Cc1ccc(CC(=O)Nc2cccc(NC(=O)c3ccc4c(c3)OCO4)c2)cc1
|
COc1ccc(N2CC(C(=O)NC3CCCc4cc(N)ccc43)CC2=O)cc1
|
CCCc1nc(Br)cc(c2cnn(CC)c2)n1
|
Cc1noc(C2CCN(C(=O)C3CCOCC3)CCN2C(=O)c2ccccc2)n1
|
C1CC2=[N+](C1)CCCN2CN1CCC[N+]2=C1CCC2
|
O=C(NC(Cc1ccc(O)cc1)C(=O)NC12CCCC1OCC2=O)c1cncc(c2cccs2)c1
|
CC(=O)N(CCC(=O)N1CC[NH+](C)CC1)c1ccc(N(C)C)cc1
|
CNc1ncc(F)c(Nc2cc(C)ccc2Cl)n1
|
Cc1ccc(NC(=O)CCC(=O)c2ccc3c(c2)OCCO3)c(F)c1
|
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