smiles
stringlengths 7
778
|
|---|
CCCCCc1c(c2ccc3c(c2)OCCO3)c(C(N)=O)c(C)n1CCC(C)C
|
O=C(NC(CN1CCCC1=O)c1ccccc1)c1ccc(n2cncn2)c([N+](=O)[O-])c1
|
CC1=C(C(=O)Nc2ccc(C)cc2C)C(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)n2ncnc2N1
|
Cc1noc(C)c1S(=O)(=O)Nc1cccc(C(=O)N(C)C)c1
|
CC(C)C[NH+](C)Cc1ccccc1C(N)=[NH+]O
|
CCOCC[NH+](CCOCC)Cc1ccc(C#CCO)s1
|
CCn1c(=O)c2c(nc3n2CCCN3c2ccc(Cl)cc2)n(C)c1=O
|
Nc1ccc2oc(c3nc(C[NH3+])cs3)nc2c1
|
Cc1ccc(OS(=O)(=O)Nc2ccccc2C)cc1
|
OC1CC(Nc2ncc(c3ccc4nc5n(c4n3)C3(CCOc4ccccc43)COC5)cn2)C1
|
N#CC(C(=O)Nc1ccc(S(=O)(=O)c2ccccc2Cl)cc1)=C(O)C1CC1
|
CC(C#N)CN(C)c1nc(F)c(F)cc1F
|
COc1ccc(c2noc(CCC(=O)Nc3nnc(SCCC(=O)Nc4cccc(Cl)c4)s3)n2)cc1OC
|
CCCn1cc(C(NN)C(CC)(CC)[NH+](C)C)cn1
|
O=C([O-])C1CCC2COCCC2C1
|
CCC(CC)CN(CC)C1(C[NH3+])C2CC3CC(C2)CC1C3
|
COc1ccc(CC2NC(=O)N(Cc3ccc4[nH]cc(CC([NH3+])OC(=O)C=CC(=O)OC([NH3+])Cc5c[nH]c6ccc(CN7C(=O)NC(Cc8ccc(OC)cc8)C7=O)cc56)c4c3)C2=O)cc1
|
CCC1C[NH2+]C(C)(CC)CN1Cc1ccc(Br)cc1
|
[N-]=[N+]=NCCCCCCCCOc1cc(C=O)nc(C=O)c1
|
Cc1ccc(NC(=O)c2ccccc2NC(=O)CCNC(=O)C2CC[NH+](C(C)C(=O)Nc3cccc(C(N)=O)c3C)CC2)c(F)c1
|
COc1ccc(CN2CC(c3nc4ccccc4n3CCOc3cccc4ccccc34)CC2=O)cc1
|
CNc1ccccc1C(=O)NC(C)c1cc(C)ccc1C
|
O=c1nc(c2ccccc2)[nH]c2c1CC[NH+](Cc1c(F)ccc(F)c1Cl)C2
|
C[Si](C)(C)CCOCOc1ccc(C(O)CNC(=O)COc2ccc(Br)cc2)cc1N(COCC[Si](C)(C)C)S(C)(=O)=O
|
COc1ccc(CCC(=O)OC(C)C(=O)Nc2ccc3c(c2)OCCO3)cc1OC
|
CCn1nc(C)c2nc(CCl)n(Cc3cncs3)c21
|
CCCCCCCCCC(=O)C(C)(C)C(=O)c1ccccc1
|
Cc1cc(n2c(=O)occ2c2cc(F)c(S(C)(=O)=O)cc2F)ccc1C#N
|
N#Cc1c(Br)cccc1NC1CCS(=O)C1
|
CCOCCOC(=O)Cc1cc(S(N)(=O)=O)ccc1OC
|
Cc1nscc1C(=O)OCCOc1ccc(Cl)cc1Cl
|
CSC1(CNc2nnc(C)c3ccccc23)CC1
|
C[NH2+]Cc1ccc(S(=O)(=O)N(C)CC2CCC[NH+]2C)cc1
|
Cc1ccc2nc(c3ccc(N4C(=O)C5CCC(C)CC5C4=O)cc3)cc(C(=O)OCC(=O)c3ccc(C)c(C)c3)c2c1
|
COCCCN1C(=O)C(c2ccc(C)c(C)c2)=C([NH+]2CCN(C)CC2)C1=O
|
N#Cc1cccc(NC(=O)N2CCCC3(CC[NH2+]CC3)CC2)c1
|
CCOCc1c(Cl)c(C)cc2c1C=C(C(=O)[O-])C(C(F)(F)F)O2
|
CCCC(CC[NH3+])CCC[NH+]1CC(C)N(C)C(C)C1
|
Cc1cc(NC(=O)c2cccc(S(=O)(=O)N3CC[NH+](C)CC3)c2)n(c2cccc(Cl)c2)n1
|
CC(C)Oc1ccccc1NC(=O)Cc1ccc2c(c1)ncn2C
|
CCn1ccnc1C=CC(=O)NCC(C)(O)c1ccc(F)cc1F
|
COc1ccc(c2cc(C(=O)Nc3ccc(F)cc3C)[nH]n2)cc1S(=O)(=O)N(C)C
|
CCCc1ccc(C(=O)CSc2cnccn2)cc1
|
CS(=O)(=O)c1ccc(Oc2cc(F)cc(Br)c2)c2c1C1(CC2)OCCO1
|
CCOc1ccccc1C(=O)NN1C(=O)c2cc(Br)ccc2NC1c1ccc2c(c1)OCO2
|
N#CC(C#N)=CCC1CCCCCC1
|
CNc1cc(C(=O)NCCS(C)(=O)=O)cc(C(C)C)n1
|
c1csc(CC[NH2+]CCc2ccncc2)c1
|
CCC(CC)(C(=O)[O-])N1C(=O)C(C(C)C)Oc2ccc(N)nc21
|
COc1ccc2c(Cc3cc(C)cc(=O)n3[O-])cccc2c1
|
CCOc1ccc(N(CCC#N)C(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)cc1
|
C[NH2+]CC(=O)NC1CCC(NC(=O)c2cc3c(C)nn(C4CCCCC4)c3s2)CC1
|
O=C1C=Cc2n[nH][n+](=O)c3c2C1C(CN1CCC(NCc2cc4c(cn2)OCCS4)CC1)CC3
|
N#Cc1cc(Cl)cc(Oc2c(C(F)(F)F)ncn(Cc3cnc(c4ccccc4F)[nH]c3=O)c2=O)c1
|
CC(Cc1ccccc1)[NH+]1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)CC1
|
CCCC[NH+]1CCC(CNc2ccccc2)C1
|
CC(C)=CCNC(=O)Nc1ccc(C(=O)[O-])cc1Br
|
COc1cc(C=O)ccc1OCc1sc(c2ccccc2)nc1C
|
CCc1cccc(C)c1NC(=O)C(C)NC(=O)C1CC[NH+](C(C)C(=O)Nc2ccc(Cl)c(C(=O)Nc3ccccc3C)c2)CC1
|
COCC(OC)(OC)O[As]
|
COC(=O)NC1CC2C=CCC(C2)C1
|
C=CCCCN(C)C(NCc1ccccc1[N+](=O)[O-])=[NH+]C
|
CCOc1ccc2oc(C(=O)OCC(=O)NC(=O)NC(C)CC)c(C)c2c1
|
O=C(Cn1c(=O)oc2ccccc21)NCCSC1CCOCC1
|
CCC(C)C(NC(=O)C(CCC[NH+]=C(N)N)NC(=O)C(CC(=O)[O-])NC(=O)C([NH3+])CCCC[NH3+])C(=O)[O-]
|
Cc1cccc(N2C(=S)NC(c3ccccn3)C2c2cccn2c2nc3ccccc3s2)c1
|
CC1CN(Cc2ncnn2C(C)C)CCS(=O)(=O)C1
|
O=C(c1ccc(OCCSc2ccccc2)cc1)N1CCOCC1
|
c1ccc2c(CC3CCCC3)nccc2c1
|
C#CC(C)[NH2+]C1c2ccccc2-c2ccccc21
|
COC(=O)c1ccc2c(c1)CCC1C2C(O)CC2(C)C(c3cncc(F)c3)=CCC12
|
COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccco3)C2c2ccc(O)c(Cl)c2)c1
|
CC(C)N(C(=O)c1cnn(c2ccccc2)n1)C1CC1
|
CC(=O)c1ccc(N)nc1Br
|
CC1CCC(C(=O)N2CC[NH+]3CCCCC3C2)CC1[NH3+]
|
O=C1c2ccc(F)cc2C(=O)N1CC(O)CC1CCCC1
|
O=C(Nc1ccc(N2C(=O)Cc3ccc([S-])cc3C2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1
|
CS(=O)CCC[NH2+]C1CCc2cc(Br)ccc21
|
FC(F)=C(F)N1CCCCCC1
|
CC(Cc1ccccc1F)NC(=O)N1CCC(O)CC12CCC2
|
O=C1CC(c2ccc[nH]c2=O)CN1
|
CC1CCCC(CC[NH2+]Cc2ccccc2OC(F)F)C1
|
COC(=O)C1CN(S(=O)(=O)c2ccc(C)cc2)c2ccccc2CN1S(=O)(=O)c1ccc(OC)cc1
|
CCOc1ccc(C2c3[nH]c4ccccc4c3CCN2C(=O)CSc2ccccc2)cc1
|
C[NH+]1CCN(c2ccc(Nc3nc(N)c(c4cc(N5CCCC5)ccc4C=O)s3)cc2F)CC1
|
Cc1onc(c2ccccc2)c1c1nnc(CSc2nc(N)c3c4c(sc3n2)CC(C)CC4)o1
|
Cc1c(NC(=O)C[NH+]2CCC(C(=O)NCCC(=O)Nc3ccc(Cl)cc3C(=O)N3CCCC(C)C3)CC2)cccc1C(=O)NC1CCCCC1
|
CC(C)([NH3+])Cn1c2ccccc2nc1c1ccccc1
|
CNC(=O)NC(=O)C[NH2+]CCCC(=O)[O-]
|
CN1CCN(C(=O)CCc2cccc(F)c2)CC1=O
|
CC(=O)NC1C(OCCOCCOCCOCC(=O)NCCCCC(NC(=O)COCCOCCOCCOC2OC(CO)C(O)C(O)C2NC(C)=O)C(=O)NC([NH2+]CCCNC(=O)COCCOCCOCCOC2OC(CO)C(O)C(O)C2NC(C)=O)C(=O)NCCOCCC(=O)[O-])OC(CO)C(O)C1O
|
Cc1cc(F)ccc1NC(=O)c1cccc(C)c1NC(=O)C1CCCN1C(=O)C1CC[NH+](C(C)C(=O)Nc2cccc(C(=O)Nc3ccccc3)c2C)CC1
|
CCCCCNC(=O)c1ccc(C(=O)Nc2ccc(Br)cc2)cc1
|
CC[NH+](Cc1cccc(C)n1)CC(CC)(CC)CO
|
Cc1nc(Cc2noc(CCCc3csc(N)n3)n2)cs1
|
CCC(O)(CC)c1ccc(F)cc1NCCC(C)(C)NC(=O)[O-]
|
O=C(NCc1ccc(OCC(F)(F)F)cc1)c1cncc(Br)c1
|
CC[NH2+]CC(C)(C[NH+](Cc1ccccc1)C(C)C)c1ccccc1
|
CC(Nc1ncnc(c2ccc(OC(F)(F)F)cc2Cl)c1N)C1CC1
|
CCC(C)c1ccc(OCC(=O)NNC(=O)c2ccc(OC(C)C)c(Br)c2)cc1
|
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