smiles
stringlengths 7
778
|
|---|
CCOc1ccc(c2cc(C=O)c(=O)[nH]n2)cc1Cl
|
Cc1ncc(CC2CC[NH+](C)CC2)cc1Nc1ncn(c2cc(F)cc(F)c2)n1
|
Fc1cccc(Cl)c1c1c(Cl)nc2ncnn2c1N1CCN(c2ccccc2Cl)CC1
|
COc1ccc(Nc2ccc(C(=O)Nc3ccc(Cl)cc3C)cn2)cc1OC
|
O=C([O-])c1cc(Oc2ccc(C(Cl)(Cl)Cl)cc2Cl)ccc1[N+](=O)[O-]
|
CCn1cc(C(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)cn1
|
CCn1nc(c2c(c3ccccc3)nn3ccc(OC)cc23)ccc1=O
|
O=C(c1cccc2cnccc12)N1CCC(N2CC[NH2+]CC2)C1
|
Cc1nc2c(c(C(=O)[O-])c1Br)CCCC2
|
CCOC(=O)OC1CCCCC1SC(=O)c1ccccc1
|
CCNC(NCC1(CC(C)C)CCCC1)=[NH+]Cc1ccc(S(N)(=O)=O)cc1
|
N#CC(Nc1ccccc1F)c1ccccc1C(F)(F)F
|
Cc1cccnc1C(NC(=O)N1CCC(O)C(C2CCCC2)C1)C(C)C
|
Cc1ccc(NCc2cc(Cl)ccc2F)cc1[N+](=O)[O-]
|
CCC(Sc1nc2ccccc2c2nc(CCC3C(C)NNC3C)nn12)C(=O)Nc1ccc(F)cc1
|
C[NH+]1CCN(c2ccccc2CCN2C(=O)c3ccc(c4ccc(C5(O)CCCC5)cc4)cc3C2=O)CC1
|
CCCOc1ccccc1OCC(=O)NCc1ccc(C(=O)OC)cc1
|
CC1CCC(Nc2cnc(C(=O)[O-])cn2)c2ccccc21
|
C[NH2+]C(c1ccc(OC)cc1)c1cc(F)ccc1C
|
O=C(Nc1cnn(Cc2ccc(F)cc2Cl)c1)c1cc(c2ccco2)[nH]n1
|
COc1ccc(C=NNC(=O)CC(NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1Br
|
Cc1cccc(S(=O)(=O)NCc2nc3ccccc3nc2C)c1
|
O=C(Nc1ccccc1)Nc1cccc(NC(=O)c2cnn(c3ccc(Cl)cc3)c2C(F)(F)F)c1
|
CCC=CCC=CCC=CCCCCCCCC(=O)OCC(COP(=O)([O-])[O-])OC(=O)C=CC=CCCCCCCCCCCCCC
|
COc1ncnc(N(C)C)c1N(Cn1cccn1)C(=O)CCl
|
CCNC(=O)CCC(=O)NCC(O)c1ccc(C(C)(C)C)cc1
|
CCc1ccccc1C(O)c1ccc2nc(C)ccc2c1
|
CC1OC(OC2C(COC(=O)c3ccccc3)OC(OCC3OC(OC(=N)C(Cl)(Cl)Cl)C(OC(=O)c4ccccc4)C(OC(=O)c4ccccc4)C3OC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C2OC(=O)c2ccccc2)C(OC(=O)c2ccccc2)C(OC(=O)c2ccccc2)C1OC(=O)c1ccccc1
|
CC1CCC(C)N(c2ncnc(OC(C)C)c2N)C1
|
Cn1cnnc1C(C)(C)CC(=O)[O-]
|
CCc1cc(NC2CC(Cl)C2)cc[nH+]1
|
Nc1ccn(OCOCP(=O)([O-])[O-])c(=O)n1
|
CC=CC=CC=CN=C(C=C([NH3+])c1ccc(c2ccccc2)cc1)c1cc(c2ccc(c3cccnc3)cc2)cc(c2cc3ccccc3c3ccccc23)c1
|
CCCC1CCC(C([NH3+])c2ccc(C)cc2C)CC1
|
Cc1ccc2c(c1)C(C)(C)C1(C=Cc3ccc(C(C)C)cc3)NC(=O)CCN21
|
CCOC(=O)c1cccc2nc(C=CC(=O)OC)n(CCC#N)c12
|
Cc1c(Cl)cccc1Nc1ncc(C(=O)N2CCCC2)cn1
|
CN(C)C(=O)c1cccc(c2ccc(C3C4C[NH2+]CC3N4C(=O)NC3CCCC3)cc2)c1
|
COc1ccccc1OCC(=O)Nc1cccc(NC(=O)C(NC(=O)c2cccc(C)c2)C(C)C)c1
|
CCCC(C)CC[NH+]=C1NSc2sc(Cl)cc2N1
|
Cc1cc(NCc2ccn(C3CCCC3)n2)nc(c2cccc([N+](=O)[O-])c2)n1
|
CCC1(C)C=C2CCC3C(C)(O)CCCC3(C)C2CC1
|
CCNC(=[NH+]CC(C)(C)NS(C)(=O)=O)N1CC[NH+](CC(C)C)CC1
|
CC1(C)OCC2(CC34CCC5C(C)(C(=O)OC6OC(CO)C(O)C(O)C6O)CCCC5(C)C3CCC2C4)O1
|
CCn1ncc(NC(=O)Cn2nc(C)c(Cl)c2C)c1C(=O)N(C)C
|
Fc1cccc(NCC2CC[NH2+]CC2)n1
|
C[NH2+]Cc1cc(Oc2ccc3c(ccn3C(=O)Nc3ccc(OC)c(C(F)(F)F)c3)c2)ncn1
|
CCCCNC(=S)Nc1cc(OC)ncn1
|
CCC(CSC)[NH+](C)CCN1CC[NH2+]CC1
|
O=C([O-])c1cc(CSc2ncccc2C(=O)[O-])ccn1
|
CC(=O)Nc1cc(NC(=O)COCCOc2ccccc2)ccc1Cl
|
CCOc1ccc(c2nc(NC(=O)Cc3ccc(Cl)cc3Cl)sc2C)cc1
|
CCC[NH2+]C1CCCN(CC2C[NH+](C)CCO2)C1=O
|
Cc1ccccc1C(=O)NCCCn1cc(Cl)ccc1=O
|
CCCNc1c(CSc2cccc(Br)c2)c(C)nn1C
|
O=C(Nc1cc(Cl)c(S(=O)(=O)Cl)c(Cl)c1)C1CC1
|
O=C(Nc1ccccc1C(=O)NC1CC1)c1cc(c2ccco2)on1
|
C[NH2+]Cc1cncn1CCc1cccc(OC)c1
|
CC([NH2+]C1CCOCC1)c1nc2c(c3ccc(c4ccccc4)nc3)cnn2c(N)c1Br
|
NNC(Cc1ccc(F)c(Cl)c1)c1ccc(F)cc1I
|
O=S(=O)(c1cccc(C(F)(F)F)c1)N1C2CCC1CC(Oc1cccnc1)C2
|
CC(C)n1ncc2c(C(=O)NCCc3ccc(O)c(O)c3)cc(c3ccco3)nc21
|
CCSc1nc2n(n1)C(c1ccco1)C=C(c1ccc([N+](=O)[O-])cc1)N2
|
CCC1CCC1C(Cl)=C1CCC1
|
CCC(O)c1ccccc1N(C)CCOC(C)C
|
COc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)C3CCCC3)CC2)cc1
|
COC(=O)C(Cc1ccc(OCCN(C)c2ccccn2)cc1)(C(=O)OC)C(=O)OC
|
CCCCCO[Si](N[Si](OC)(OC)OCCCCC)(OC)OC
|
CCCCC1(CC)CC[NH2+]C1(C)C
|
CCOc1cccc(NC(=O)NCC(O)c2ccco2)c1
|
CCC[NH2+]C(COCC1CCCCO1)C(=O)OC
|
CC(=O)c1cc(F)cc(C[NH+](C)Cc2ccoc2)c1O
|
CC(C)Nc1ccc(NS(=O)(=O)c2cccc(Cl)c2)cn1
|
CC(CCC(=O)[O-])(CC1CCCCC1)C1(C)CC2CCCC(CO)(C2)C1
|
COc1cc(C2c3[nH]c4ccccc4c3CC3C(=O)N(Cc4ccco4)CC(=O)N32)cc(OC)c1OC
|
O=C([O-])Cc1c(Cl)ncc(O)c1C(F)F
|
CCN(CC(N)=O)C(=O)NCC1(CC(=O)[O-])CCC1
|
CCCCCCCN=C(C)C
|
COc1ccc(C)cc1NC(=O)CCN(c1ccc(F)c(F)c1)S(C)(=O)=O
|
C[NH+]=C(NCCC(=O)Nc1cccc(C)n1)NC1CCS(=O)(=O)C1
|
CCC(C)C[NH+](CC)C1CCc2ccc(OC)cc2C1O
|
COC(=O)OCC1OCOC1c1ccccc1
|
CCCC1CCCCN1c1cc(N)nc(N)n1
|
COc1ccc(C[NH2+]C(C)c2nncn2C)c(F)c1
|
OCCc1cnn(c2ccccc2Br)c1Cl
|
CN1CCC(=O)Nc2cc(C(=O)NCCN3CC[NH2+]CC3)ccc21
|
CCN(CCO)C(=O)c1cccc(C(N)=[NH+]O)c1
|
O=C(CCCCC(=O)Nc1ccc(Br)c(Cl)c1)Nc1ccc(Br)c(Cl)c1
|
C[NH+]=C(NCCc1c[nH]c2cc(C)ccc12)NCC1CCN(S(C)(=O)=O)CC1
|
CC(C)([NH3+])CCC(=O)Nc1ccncc1Br
|
CNc1ccc(C(=O)OC2CCOC2)cc1
|
O=C(Nc1ncccc1OCc1ccncc1)c1cccnc1
|
CC[NH2+]Cc1cncc(OCC2CC2)n1
|
Cc1nc(I)sc1C(=O)NCc1ccccc1Cl
|
CNC(=O)NC(=O)CSc1ccc2c(c1)CCC2
|
O=c1oc2c(c([O-])c1C(c1cccc(NS(=O)(=O)c3ccccc3)c1)C1CC1)CCCCCC2
|
O=C(C1=COCCO1)N(Cc1ccccn1)c1nc2c(Cl)cccc2s1
|
COCCCN(C)C(=O)C12CCC(=O)N1c1ccccc1S2
|
Cc1cnn(Cc2ccccc2c2nc(CCl)cs2)c1
|
ClCCSCC1Cc2ccccc21
|
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