smiles
stringlengths 7
778
|
|---|
Cc1ccc(NC(=O)c2ccccc2)cc1Nc1cccc2c1NC(=O)C2=Cc1ccc[nH]1
|
CCn1nc(C)cc1CC([NH3+])c1cn(C)cn1
|
[C-]#[N+]c1cnn(c2ncccn2)c1N=Nc1c(O)c(C(=O)Nc2cccc(C)n2)cc2ccccc12
|
CCCCCCCCCC[SH](=O)=O
|
CCn1ncc(NCc2ccc(C)cc2)c(Cl)c1=O
|
Cc1ccc2cc(CCNC(=S)Nc3cccc(C(F)(F)F)c3)c(=O)[nH]c2c1C
|
Cn1nc(C2CCN(CC#N)CC2)n(C2CC2)c1=O
|
Cc1ccc(NC(=O)CSCC(N)=O)cc1N
|
CCCCCCCCCC(C=O)=CC1CC1
|
CCCNC(=O)C(C)S(=O)c1cc(F)ccc1N
|
CCn1c(SC(C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)nc2cc(S(N)(=O)=O)ccc21
|
CC1CC(=O)N(C(C)(C[NH3+])C2CC2)C(=O)C1
|
O=C(c1c[nH]c2cccc(F)c12)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C(=O)C1
|
CC(C)C1=CC(O)(C(C)C)c2onc(c3c(Cl)cccc3Cl)c2C1=O
|
CC1CN(S(=O)(=O)c2ccc(C#CC[NH3+])cc2)CC(C)O1
|
CC1=C(CC(=O)[O-])C2=C(F)C(O)=C(C(=O)c3ccc(C(F)F)s3)CC2=N1
|
O=c1ccc(c2ccccc2)nn1CC1(O)CC[NH+](Cc2cccs2)CC1
|
CCCCCC1c2cc3c4c(C)c2OCOc2c1cc1c(c2C)OCOc2c(cc5c(c2CNC(=O)CCl)OCOc2c(cc(c(c2CNC(=O)CCl)OCO4)C3CCCCC)C5CCCCC)C1CCCCC
|
CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)c3ccco3)n2c2ccccc2OC)sc2c1CCC2
|
CC(C)(C)OC(=O)N1CCN(Cc2ccncc2)C2CS(=O)(=O)CC21
|
Cc1cc(C)c(NS(=O)(=O)c2c(Br)nnn2C)c(C)c1
|
CC1C(=O)NCC2C[NH+](Cc3ccccc3)CC21
|
Cc1noc(C)c1CN(C)C(=O)C=Cc1ccc(S(=O)(=O)NCc2ccco2)cc1
|
N#Cc1ccc(NCCC(O)S(=O)Cc2ccccc2)nc1C(F)(F)F
|
CCCC[NH+](CC)C(C(N)=S)c1ccccc1[N+](=O)[O-]
|
CC[NH+](CC)CCN(C)Cc1cccc(C(=O)Nc2ccc(OCC3CCCCC3)cc2C(=O)NN=Cc2ccc(C)c(C)c2)c1
|
COCCn1ncc(Br)c1C(O)c1cncc(F)c1
|
Cc1cc(n2c(CCl)nc3cc(Cl)ccc32)cc(C)c1Br
|
CCCCN(C(=O)C[NH+]1CC(c2ccc3c(c2)OCO3)C(C(=O)[O-])C1CCN1CCC(=O)N(C)C1=O)c1cccc(C[N+](C)(C)C)c1
|
Cc1c(C(=O)NCCc2ccc(Br)s2)cnn1c1ccccc1F
|
O=S(=O)(c1ccc([O-])cc1F)[N+]1(B(O)O)C=Cc2c(O)cccc21
|
c1ccc(n2ccc3c2ccc2c4cc5c(cc4n(c4ccccc4)c23)[nH]c2ccccc25)cc1
|
CCOCCOc1c2cc(COC(=O)c3ccc(C(=O)c4ccccc4)cc3)cc1Cc1cc(C(O)C3SCCCS3)cc(c1OCCOCC)Cc1cc(COC(=O)c3ccc(C(=O)c4ccccc4)cc3)cc(c1OCCOCC)Cc1cc(C(O)C3SCCCS3)cc(c1OCCOCC)C2
|
CC(COC(c1ccccc1)(c1ccccc1)c1ccccc1)Oc1c([N+](=O)[O-])ccc(F)c1F
|
Cc1nc(CNC(=O)CC(C)(O)c2ccccc2)oc1C
|
CCCCCCc1ccc(C(=O)n2c3ccccc3c3ccccc32)cc1
|
CC1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)Nc2ccc(c3nc4ccccc4[nH]3)cc2)C1=O
|
OC1CC2C(COCc3ccccc3)C(OCc3ccccc3)C[NH+]2C1
|
[NH3+]CCCCC([NH3+])C(O)=NC(CCCC[NH3+])C(O)=NC(Cc1c[nH]c2ccccc12)C(O)=NC(Cc1c[nH]c2ccccc12)C(O)=NC(CCCC[NH3+])C(O)=NC(Cc1c[nH]c2ccccc12)C(O)=NC(Cc1c[nH]c2ccccc12)C(O)=NC(CCCC[NH3+])C(O)=NC(CCCC[NH3+])C(O)=NC(Cc1c[nH]c2ccccc12)C(=O)[O-]
|
CC(C)c1cc(C(=O)OC2C3CCOC3C2(C)C)n[nH]1
|
CCS(=O)(=O)Nc1ccc(NC(=O)C(Cc2ccccc2)NC(=O)c2cccs2)cc1C
|
CC(C)(C)c1ccccc1NC(=O)C1CC=CCC1C(=O)[O-]
|
CC[NH+](CC)CCSCC(=O)NCC1[NH2+]CCc2ccccc21
|
N#CCc1cc2c(C#N)ccc(CCl)c2s1
|
CCOP(Cc1ccc(Nc2ncc(C(F)(F)F)c(Nc3ccc(c4cnn(CC(C)(C)O)c4)cc3C(=O)NC)n2)cc1)OCC
|
[NH3+]C(CCC(=O)NC(CSC1CC(=O)N(c2ccc(C(=O)c3ccccc3)cc2)C1=O)C(=O)NCC(=O)[O-])C(=O)[O-]
|
C=CCOC(=O)Cn1c(=O)sc2cccc(Cl)c21
|
C[NH2+]CC(C)(C)CC(=O)N1CCCC(C(O)(CCCCOC)c2ccccc2Oc2cccc(F)c2)C1
|
CCC(C[NH3+])C(=O)NC(C)c1cc(C)oc1C
|
C=CC=C(C=C)C=CC=C(C=C)c1ccc(c2ccc(N(C=CCC(C=C)c3ccccc3)C(C)=c3ccccc3=CC)cc2c2ccccc2)cc1
|
COc1ccc(CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC
|
O=C(Nc1cccc(SC(C(=O)Nc2ccc(O)c(C(=O)[O-])c2)c2ccccc2)c1)c1ccc(F)cc1
|
C#CCCOc1ccc([N+](=O)[O-])cc1
|
N#CC1(C2(O)CCC(=O)CC2)CCCC1
|
CS(=O)(=O)Nc1ccc(C(=O)c2cccc(Cl)c2F)cc1
|
CC(C)n1cc(NC(=O)C2CSCC[NH2+]2)cn1
|
C[NH+]1CCC(CCNc2ccc(C#N)cc2F)CC1
|
CS(=O)(=O)N1CCCC1C(=O)NC1CCC(c2ccccc2)CC1
|
Cc1ccc(C(=O)NNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1
|
CCN(CC1CCCO1)c1nnc(C[NH2+]CC(C)C)o1
|
CCOC(=O)c1cnn(c2nc(OC)c3c(cnn3C(C)c3cc(Cl)ccc3F)n2)c1
|
CC[NH+]1CCN(C(=O)NC2CCN(C(=O)c3ccc(n4cccc4)cc3)CC2)CC1
|
C[NH2+]C(CCSc1nncn1C)C(=O)OC
|
CC(C)C1(C)CC(=O)N(c2ncccc2Br)C1=O
|
C[NH2+]Cc1cn(S(=O)c2cccnc2)c2cc(Cc3ccc(C)cc3)ccc12
|
O=C(Cc1cccc([N+](=O)[O-])c1)NCCC1CC[NH2+]C1
|
O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1ccccc1C(F)(F)F
|
COc1ccc(CNC(=O)c2cccc(Br)n2)cc1
|
CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NC(c2ccccc2)c2c(O)ccc3ccccc23)c1
|
COC(=O)C1(c2ccsc2)CC1c1ccccc1
|
C=CSCCOCCSCCO
|
CC(C)(C)[NH2+]Cc1cncc(OCC(F)F)n1
|
[C-]#[N+]c1cccc(c2cc3c4ccccc4c(c4cccc(C#N)c4)cc3c3cc4c(cc23)-c2cccc3c2c-4ccc3c2ccccn2)c1
|
Nc1ncc(c2ccncc2Br)s1
|
COC(=O)C1CC(n2nnc(c3ccc(F)cc3F)n2)CN1C(=O)OC(C)(C)C
|
CC(CO)(CO)NC(=O)CCCOc1ccccc1
|
CCOC(CN(CCc1ccccc1)C(=O)c1cc(Sc2cnc(Nc3ccccn3)s2)ccc1C)OCC
|
Cc1nn(c2ccccc2)c(n2cc(Br)cn2)c1CBr
|
CCCCn1c2cc(C(=O)CCC)sc2cc1c1ccc(CCC2CCCC2)cc1C(F)(F)F
|
O=C(NC1CCC(n2c(=O)c3cc(F)cnc3n(C3CCSCC3)c2=O)CC1)c1ccccc1Cc1ccccc1
|
N#Cc1cccc(OCC2CCN(C(=O)Nc3nccs3)CC2)n1
|
CC(C)(C)c1ccccc1NS(N)(=O)=O
|
CC(CNC(=O)OC(C)(C)C)[NH2+]C(C)c1ccc(Cl)c(Cl)c1Cl
|
CCCOc1ccc(C(N)C(C)S(C)(=O)=O)cc1
|
CC(C(=O)NC1CCCc2cn[nH]c21)[NH+]1CCC(Cc2ccccc2)CC1
|
Cc1ccc(CN(C)c2ncc(C[NH3+])c(C)n2)cc1
|
O=[N+]([O-])c1ccc(S(=O)(=O)c2nnc(CCCCCc3nnc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])n3c3ccccc3)n2c2ccccc2)c([N+](=O)[O-])c1
|
CCNc1ccc(C(=O)Nc2ccc(C)c(Br)c2)cn1
|
N#Cc1ccc2c(c1)nc(Cc1ccncc1)n2C1CC1
|
O=C(Nc1ccc2c(c1)CCN2C(=O)c1cccs1)c1cc(Cl)ccc1[N+](=O)[O-]
|
CCC1COCCN1c1cc[nH+]cc1N
|
OC(c1c(Cl)cccc1Br)C1C2CCCCC21
|
Cc1ccc(C(NN)C2=COCCC2)c(C)n1
|
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCCOC(=O)c1ccccc1
|
O=C(NCc1ccc(C(=O)N2CCOCC2)cc1)NCc1ccccc1F
|
CC1CC=CN2C(=C1c1ccccc1)c1c(C(=O)Nc3cccnc3N3CCn4cccc4C3)[nH]c3cc(Cl)cc(c13)C2c1ccc(Cl)cc1
|
CCOc1nc(NC)nc(c2ccc(F)cc2Cl)n1
|
CC(NC(=O)N1CCCC(NC(=O)C=Cc2cccc(F)c2)C1)c1ccccc1
|
Cc1nc(Sc2ccc(C(C)[NH3+])cn2)oc1C
|
COCCONC(=O)C1CCC2CN1C(=O)N2O
|
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