smiles
stringlengths 7
778
|
|---|
CCOc1cncc(C2CCCC2C[NH2+]C(C)C)c1
|
CCc1ccc(CC(=O)C(OC)C2CCCCC2)s1
|
Nc1nc(SCc2cc(Cl)c3c(c2)OCO3)n[nH]1
|
CCN(C(=O)Cc1cccs1)c1ccc(F)c(F)c1
|
CCC(Sc1cccc(NC(=O)Cc2ccccc2)c1)C(=O)Nc1nc(c2cccs2)cs1
|
CC1=C(C#N)c2cccc3c2C1(C)C(C#N)=C(c1ccccc1)C3
|
CC1=CC(C)(C)N(C)c2cc(F)c(C=O)cc21
|
Cc1ccc(C(C)n2ncc(Cl)c2N)c(C)c1
|
CCCNc1ccc(S(=O)(=O)NCCCC(N)=O)cn1
|
Cc1ccc(NCC(=O)c2ccc(F)cc2)cc1Nc1ncc(c2ccncc2)o1
|
O=C1OCCC1n1nnc(c2ccccc2)c1I
|
Cc1ccc(C(=O)N(C)C2CCC(O)CC2)cc1C
|
CCC1CCCCC1NS(=O)(=O)c1ccc(N)cc1Cl
|
CCCNC(=O)c1sc(N(C)CCOC)c(C(N)=O)c1N
|
CCCOc1ccc(C(=O)c2ccccc2)cc1OCCC
|
CC(C)(C)c1ccc(OC(c2ccc3cc(C(=O)[O-])ncc3c2)C2CCCC2)cc1
|
O=C1C=C(OC2CCCC2)CO1
|
CCOCC(=O)N1Cc2cncn2C(C(=O)NCC2CC2)C1
|
C[NH2+]Cc1cc(Cl)ccc1N1CCNC(=O)C1
|
C=C(Br)CNC(C)CC#N
|
CCC(C)(C)Cn1c(=S)[nH]c2sc3c(c2c1=O)CCC3
|
CC(C)(C#N)CNCCC1CCC1
|
CC(C)OC(=O)CCc1ccc(n2ncn(c3ccc(C(N)=[NH2+])cc3)c2=O)cc1
|
CCCCCCCCCC(=O)Nc1cc(NC(=O)OC(C)(C)C)cc(C(=O)OCC)c1
|
Cc1[nH]nc2cc(C[NH3+])cnc12
|
CCCC1(S(=O)(=O)NC(=O)C2(NC(=O)C3CC4(CN3C(=O)[O-])C(C)(C)C43CCC3C(C)(C)C)CC2CC)CC1
|
O=C(Nc1ccc(n2cnc3ccccc32)nc1)c1ccccc1OCc1cscn1
|
CCCCC(=O)Nc1c(C(=O)[O-])n(Cc2cccc(Cl)c2)c2cc(c3ccc(C(F)(F)F)cc3)ccc12
|
CC(C)(CCO)CNc1ccc2c(c1)[nH]c1c(C(N)=O)ccc(Br)c12
|
CC1(C)Cc2cccc(OP(Oc3cccc4c3Oc3c(cccc3OP(Oc3cccc5c3OC(C)(C)C5)Oc3cccc5c3OC(C)(C)C5)C4)Oc3cccc4c3OC(C)(C)C4)c2O1
|
CC(C)C(NC(=O)c1ccccn1)C(=O)NC(COCc1ccc(Br)cc1)C(O)CC(=O)NCc1ccc(C#N)cc1
|
Cc1ccc(CN2CC(C(=O)NCc3cn4cc(Cl)ccc4[nH+]3)CC2=O)cc1
|
Cc1noc(NS(=O)(=O)c2ccsc2N)c1Cl
|
CCOC1=NCC(C)(C)C(C)=C1
|
O=C(NCC(CCO)c1ccccc1)c1ccc(C(F)(F)F)cc1
|
COc1cc2oc(C(=O)[O-])c(C(C)C)c2c(OC)c1OC
|
C[NH+](Cc1c[nH]c2ccc(Br)cc12)C1CCC[NH2+]CC1
|
CCc1ccc(c2ncc(CC)s2)cc1
|
CC[NH2+]C(c1cccc(S(C)(=O)=O)c1)c1cc(C)c(Br)s1
|
CNC(=O)c1cccc(NC(=O)C(NC(=O)C2CC[NH+](CC(=O)Nc3ccc(C(=O)N4CCOCC4)cc3C)CC2)C(C)C)c1C
|
O=C([O-])C1CCCC(C(=O)[O-])N1C(=O)OCC1c2ccccc2-c2ccccc21
|
COCC(C(=O)[O-])C(Sc1nc2ccccc2[nH]1)C(=O)[O-]
|
NC(=O)CCC(NC(=O)C(CCC[NH+]=C(N)N)NC(=O)C(Cc1ccccc1)NC(=O)C([NH3+])CCC[NH+]=C(N)N)C(=O)[O-]
|
COc1cc2nc(c3ccccc3F)n(C3CCCCC3)c2cn1
|
C=CCC(=O)OC1CC2OCC2(OC(C)=O)C2C(OC(=O)c3ccccc3)C3(O)CC(OC(=O)C(O)C(NC(=O)c4ccccc4)c4ccccc4)C(C)=C(C(OC(=O)c4ccccc4)C(=O)C12C)C3(C)C
|
CCSc1nc(N2CCOCC2)c2cnn(CCNC(=O)c3cc(c4ccc(F)cc4)nn3C)c2n1
|
COC(C[NH3+])C(=O)Nc1ccc(N2CCCC2)cc1
|
CCC(=O)Nc1ccc(C(=O)COC(=O)C=Cc2ccc(OC(F)F)cc2)cc1
|
COC(=O)C=Cc1ccc(c2[nH+]cc3cnccn32)s1
|
Cc1ccoc1C(=O)NC(CC(=O)[O-])CC(C)(C)C
|
Cc1ncc(CC2(C[NH3+])CCOCC2)s1
|
CC(C)COCCc1ccc(OCC(O)C[NH2+]CCn2nnc3cc(C4=NNC(=O)CC4)ccc32)cc1
|
CC=C[Si](C)(C)CCC=NCCCCCCCC
|
CC([NH3+])Cc1cc(Br)cc2cnn(C)c12
|
CCC([NH2+]CC1(O)CCOC1)c1ccc(F)cn1
|
O=C(NCC1CC(O)C1)c1ccc(Cl)o1
|
CC(C)(C[NH3+])C1CCc2cccnc21
|
CCOc1ccccc1NC(=O)COc1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1
|
CCC(C)NS(=O)(=O)c1ccc2c(c1)NCC(C)(C)O2
|
O=C([O-])Oc1cc(C2CC2)c2nc(N3CC[NH2+]CC3)c(F)cn2c1=O
|
CCCCC(CCC)[NH2+]C(C)Cc1ccc(O)cc1
|
C[NH2+]C1CN(C(C)C)c2cc(OC)ccc21
|
Cn1cncc1C(NC(=O)COC(C)(C)C)C1=Cc2cccnc2C([NH+]2CCN(C(=O)OC(C)(C)C)CC2)c2ccc(Cl)cc21
|
CC[NH2+]C(c1nccn1C)C(C)(C)c1ccc(F)cc1
|
CCc1ccc(C)c(NC(=O)Nc2cc(C)ccc2C)c1
|
O=C(CCC(=O)N1CCSc2ccccc21)NCC1CC[NH+](Cc2cccs2)CC1
|
COc1cc2c(C#N)cc3c(OC)c(OC)c(OC)cc3c2cc1OC
|
COc1c(Cl)cc(C(C)C)c(C=O)c1c1ccc(F)cc1
|
C[NH2+]C(COc1ccc(C(C)(C)C)cc1)C(=O)[O-]
|
COc1cc2c(c3oc4cccc(O[Si](C)(C)C)c4c(=O)c13)C1C=COC1O2
|
CCOCCCNC(=O)C1CC(=O)N(C(C)C)C1
|
COCC(NC(=O)COc1cccc(OCC(C)C)c1)C(=O)[O-]
|
CC(C)(CCc1ccccc1)Nc1cc(Cl)c(Cl)cc1N
|
Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=NOC(=O)c1ccco1
|
COCCCSCCCC(C)([NH2+]C1CC1)C(=O)OC
|
CCCCOC(C)C(=O)N(C)Cc1ccccc1C
|
Cc1ccc(Nc2cc(NC3CCCCC3)nn3ccnc23)nc1
|
Cc1cc(NC(=O)NCC[NH+]2CCC(N(C)S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)cc(C)n1
|
CCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1cc(Cl)c(O)c(OCC)c1
|
CC1CC(C)C[NH+](CCNC(=O)Cn2cnc3c(cnn3C)c2=O)C1
|
CC(O)(c1cccs1)C1(C[NH3+])CCC1
|
COCC[NH2+]CC1OCCCO1
|
O=C(Cc1ccc(Br)cc1)OCc1nc(c2ccc(F)cc2)no1
|
N#CC(=Cc1ccc(c2ccc(Cl)cc2)o1)C(=O)Nc1cccc([N+](=O)[O-])c1
|
Cc1cc(C(=O)CO)c(C)n1CC1CCCO1
|
C[NH+]1CCC(CNc2ncccc2[N+](=O)[O-])CC1
|
Cc1cc2cc(CNc3cnn(CC(=O)NCCO)c3)oc2cc1C
|
CCCCC1NSc2cc(S(=O)(=O)NC(CCCP(=O)([O-])CC(=O)[O-])c3ccccc3)c(Cl)cc2N1
|
CS(=O)(=O)N1CCCc2cc(NC(=O)c3c(F)cccc3F)ccc21
|
O=[N+]([O-])c1cccc(Cl)c1NCCc1ccccc1
|
CCC([NH2+]CC(C)C[NH3+])c1nccs1
|
CCC[NH2+]Cc1cn(Cc2cncc(C)c2)nn1
|
NC(=O)N1CCCC(C(=O)N2CC([NH3+])C(c3ccccc3)C2)C1
|
Cc1cnc(NN)nc1NCCCC(C)CO
|
CCCCOc1ccc(c2ccc(OCC(=O)OCC)c(OCC(=O)OCC)c2)cc1F
|
CC(CC=CC#CC(C)(C)C)C(=O)CCCCOc1cccc(c2ccsc2)c1
|
Nc1ccc(C(=O)NCC2CCC(O)C2)cc1F
|
CC([NH3+])C1CCC[NH+](CC(=O)Nc2sccc2C(N)=O)C1
|
CN(Cc1ccccc1)C(=O)C[NH+]1CCC(OCCCO)CC1
|
CN(C(=O)COc1ccc(C=O)cc1)C1CCCCC1
|
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