smiles
stringlengths 7
778
|
|---|
C=CCCCCCC[N+](C)(CCCNC(=O)OC(C)(C)C)CCCNC(=O)OC(C)(C)C
|
Cc1cccc(NC(=O)c2cc3ccccc3o2)c1
|
CC(C)C[NH2+]CC(C)n1cc(c2ccccc2)cn1
|
CCC(C)(Oc1cccc2c(CC(C)[NH2+]CC(O)c3cccnc3)c[nH]c12)C(=O)[O-]
|
C[NH2+]CC(O)COc1cccc(c2nc(NC3CCOC3)c(C)c(N3CC4(CC[NH2+]CC4)c4ccccc43)n2)c1
|
CCCN(NCC(O)c1cccc(Cl)c1)c1ccc(c2occc2C(=O)[O-])cc1
|
CCCC(C)Nc1cc(Br)ccc1C(F)(F)F
|
Cc1c(NC(=O)CNC(=O)NCc2ccc(F)cc2)cccc1C(=O)N1CCCC1
|
Cc1ccc(O)c(N=Nc2ccccc2[N+](=O)[O-])c1
|
CC[NH+](C)CC(C)c1ccc(C2C(O)CC(C)C3NC(=O)C4SC=CC4C32)cc1
|
CCC(CC)(CNC(=O)CC=Cc1ccc(C)cc1)C(=O)[O-]
|
O=S(=O)(CCC1CC1)NC1(c2c(F)cccc2F)CCC1
|
CCCCCc1ccc(N=Cc2ccc(c3ccccc(c4ccc(C=Nc5ccc(CCCCC)cc5)cc4)c3=O)cc2)cc1
|
CCN(CC)c1ccc(C(=O)c2ccc(OC)cc2)cc1
|
N#CC1(NC(=O)CN(Cc2ccccc2)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)CCCC1
|
CCOc1ccc(Nc2ncnc(NCCc3cccs3)c2N)cc1
|
CCCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1cccc(OC)c1
|
CC1CC([NH2+]CCCCn2ccnc2)CS1
|
CCCn1cc(OC(C)CCC(=O)[O-])cn1
|
CN(Cc1cnn(c2ccccc2)n1)C(=O)C1CCCC1C[NH3+]
|
COc1cccc(C(C[NH3+])N2CCCN(C)C(=O)C2)c1
|
NS(=O)(=O)c1ccc(n2nc(C[NH+]3CC=CCC3)nc2Cc2c(F)cccc2F)c(F)c1
|
O=C(NCc1ccccc1)c1cc(NCCn2ccnn2)cc[nH+]1
|
O=C(NC(NC1CCC1)=[NH+]C1CC(c2cc(F)cc(F)c2)NN1)c1ccc(Cl)cc1
|
Cc1ccccc1n1nccc1NC(=O)N1CCOC2(CCCCC2)C1
|
CC[NH+](C)CCOC1CCC23CC24CCC2(C)C5C(C)CC(C(OC(C)=O)C(C)(C)O)OC5C(O)C2(C)C4CCC3C1(C)C
|
CC(C)NS(=O)(=O)c1ccc(NC(=O)C(C)Nc2ccc(NC(=O)c3ccco3)cc2)cc1
|
OCC1[NH2+]CC1CC(F)F
|
O=C([O-])N1CC(c2ncc(Cl)cn2)C1
|
CCOC(=O)CC(O)C[NH+](C)CCc1ccccc1
|
CCCCCCCC([NH3+])c1c(CCC)c(CCC)cc2ccccc12
|
CCN(C(=O)C(C)Sc1nnc(c2ccncc2)n1CC)c1ccccc1
|
OCCNc1cccc2ccncc12
|
Cc1cccc(C)c1C(C)c1ccccc1
|
COc1c(NC(=O)c2ccc(C)c(Oc3cc(C[NH+]4CCOCC4)ncn3)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O
|
COCCCNC(=S)Nc1cc(Br)ccn1
|
COCCNC(NCC(C)(C)c1cccc(OC)c1)=[NH+]CC(=O)N(C)C
|
CCCCCCOc1ccc(C=Nn2cnnc2SCc2ccc(C)cc2C)cc1OC
|
Cc1cc(C(=O)c2ccccc2)cnc1N(C)C
|
COc1csc2ccc(CO)c(O)c12
|
Cc1cc(C)n(c2ccc3c(c2)OCO3)n1
|
CCOCCNC(=O)c1nc(C(C)C)ncc1NC
|
N#CCCc1ccc(OC2CCc3cc(Cl)ccc32)cc1
|
C=CC(C)(C)C(O)CCCCCC
|
COC(=O)c1c(OC2CCCCC2O)cccc1C(OC)OC
|
CC(O)CN(C(=O)C1CCN(c2ccc(Cl)cn2)CC1)C(C)C
|
CCNC(=NCC(c1cccs1)[NH+](C)C)NCCc1nc(C(F)(F)F)cs1
|
CO[P+]([O-])(OC)C(=O)CCC(NS(=O)C(C)(C)C)c1ccccc1
|
[NH3+]C(CO)c1cccc2c[nH+]c(Br)n12
|
COCC(C)C(O)Cc1ccc(F)cc1Br
|
C(CCC1CC[NH2+]C1)C[NH2+]C1CCC1
|
C=C(CC)CC([NH3+])C1CC2CCC(C1)[NH+]2C
|
O=S(=O)(Nc1cccc(Br)n1)c1cccc(Br)c1
|
Cc1cc(C(NC(=O)c2csc(C)c2C)C(=O)[O-])ccc1F
|
CC(C)(C)C1CCCN1c1ccccc1
|
CC(C)(CNC(=O)CCl)C(N)=O
|
CC(C)(C)OC(=O)C(n1nc(I)c2cccnc21)C(C)(C)C
|
FC(F)(F)c1ccc(CNc2ccc3ccnc-3[nH]2)cc1
|
O=C(c1cccc(n2cnnn2)c1)N1CC(Oc2nc3c(Cl)cccc3s2)C1
|
N#CC=CC=CC1CCC(C2CCC(CCCCc3ccc(F)cc3)CC2)CC1
|
CCOC(C)n1cc(c2cccc3c2ccn3COCC[Si](C)(C)C)cn1
|
COc1cc(C[NH2+]CC2C[NH+](C)CCO2)cc(Cl)c1OC
|
Cc1cc(OC2CC2)ccc1OC(C)C
|
Cc1cccc(OC(C)C(=O)N(Cc2ccccc2F)C2CC2)c1
|
Cc1ccc(n2ccc(=O)nc2SCC(=O)[O-])cc1Br
|
CON(C)C(=O)COc1cc(C(=O)Nc2ccc(N3CCCC3)c(C(F)(F)F)c2)ccc1F
|
CS(=O)(=O)c1cccc(C(=O)NC2CN3C(N)=NC(CN4C(=O)CCC4=O)C4[NH+]=C(N)NC43C2(O)O)c1
|
Cc1[nH]n(c2ccccc2)c(=O)c1C(CC(=O)c1ccc(Br)cc1)C(=O)NCC1CCC(Nc2nc(N(C)C)c3ccccc3n2)CC1
|
Fc1cccc(NCCNc2ccc(C(F)(F)F)nn2)n1
|
Cc1ccc(SC2=C(Nc3ccc(F)c(F)c3F)C(=O)N(c3ccc(C(C)(C)C)cc3)C2=O)cc1
|
CCC(Cl)C(C)Nc1cc(C)[nH+]c(C)c1
|
Cn1cc(CC[NH+]2CCC(N3CCS(=O)(=O)CC3)CC2)cn1
|
COc1cccc(COCC(C)c2nc3c(N)ncn(Cc4ccc(OC)c(OC5CCCC5)c4)c-3n2)c1
|
c1cc2c(cn1)CN(c1nccc(Nc3ccc4[nH]ncc4c3)n1)C2
|
COC(=O)C(=O)c1ccc(C)c(Cl)c1O
|
COc1ccc(NC(=O)Nc2nnc(c3cccnc3)s2)cc1
|
COc1cc(F)cc(C[NH+]=C(NCCc2ccco2)NCC(=O)N(C)C)c1
|
CCCS(=O)c1csc(C(=O)[O-])c1S(N)(=O)=O
|
CC1[NH2+]CCCC1NC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1
|
Cn1c(N2CCCN(c3ccccn3)CC2)nc2c(F)cccc21
|
O=C(c1ccc([N+](=O)[O-])s1)N(CCCl)CC(F)F
|
[NH3+]C(CCC(=O)NC(CSC(CC(=O)CC(SCC(NC(=O)CCC([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-])c1nccc(SCCl)n1)c1cc(SCCl)ncn1)C(=O)NCC(=O)[O-])C(=O)[O-]
|
CCCCCCCCCCCCNC(=O)CCC(NC(=O)CCCCCN1C(=CC=C2C=C([N+](=O)[O-])C=CC2=O)Cc2ccccc21)C(=O)NCCCCCCCCCCCC
|
O=C([O-])C1CCC[NH+]1C1CC1
|
CCNC(=O)c1cc(Nc2ccc3c(c2)n(CCC(C)(C)O)c(=O)n3C)ccn1
|
CCc1ccc(n2nnc3ccccc3c2=N)cc1
|
O=C1[N-]C(=O)C(=Cc2ccnc(NC3CCC(C[NH2+]Cc4cccnc4c4ccsc4)CC3)n2)S1
|
Cc1cc(=O)c2cc([N+](=O)[O-])ccc2n1C
|
COc1ccc(N)cc1NC(=O)CCS(C)=O
|
CC(F)C(=O)C(=C([NH3+])c1ccc(Cl)cc1F)C(O)c1cccnc1
|
CC1(C)SCc2ccccc2C1[NH3+]
|
CC1C[NH+]=C(NCCNC(=O)c2ccccc2)N1
|
Cc1ccc(c2c3ccccc3c(c3cccc4ccccc43)c3ncccc32)c(C)c1
|
CC(Cc1c[nH]c2c(OC(C(=O)[O-])c3ccccc3)cccc12)[NH2+]CC(O)c1cccnc1
|
CC1CCC(C)C(=NNC(N)=S)C1
|
O=C(c1cc2c(s1)CCSC2)N(CCCl)C1CC1
|
CCc1ccc(C2C(N)=[NH+]C(=O)N2CC)cc1
|
Cc1cscc1CNc1cc(C#N)ccc1N
|
O=C1c2c(oc3ccccc3c2=O)C(c2cccc(Cl)c2)N1Cc1ccco1
|
COc1cccc(c2cc(OC)c(C(=O)N3Cc4ccc(C(=O)N(C)CCc5ccccn5)n4Cc4ccccc43)cc2Cl)c1
|
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