smiles
stringlengths 7
778
|
|---|
Cc1csc(C(C)n2c(=S)[nH]c3cccnc32)n1
|
CN(CC(=O)[O-])c1nc2ccc(Br)cc2s1
|
CCN(CCC(=O)[O-])C(=O)CC12CC3CC(CC(C3)C1)C2
|
O=C(NC1CC[NH2+]CC1C(=O)c1ccccc1Cl)c1ccc(n2cccc2)cc1
|
C=CC1CC1(NC(=O)C1CC2CC1C(=O)NC(C(C)(C)C)C(=O)OCC=CCOc1ccc3c(c1)C(=NO2)c1ccccc1-3)C(=O)NS(=O)(=O)C1CC1
|
O=C1CC(c2cccc(n3ccnn3)c2)=Nc2ccc(C(F)F)cc2N1
|
COCCCC[NH2+]CCCCCCCCCCCCC(C)=O
|
Nc1ccc(S(=O)Cc2csc3ccccc23)cc1
|
CC1C(=O)N(C)CN1c1nc(S(C)(=O)=O)ncc1Br
|
COCC[NH+](CCCl)CCCl
|
C[NH+](C)CC1CCCN1c1cc[nH+]c(N)c1
|
COc1ccc(Br)cc1c1nnc(C2CC2)o1
|
O=C(CSc1nnc(c2cc(c3cccs3)nc3ccccc32)o1)N1CCC(Cc2ccccc2)CC1
|
O=C(Nc1ccc2ncsc2c1)c1cc(Br)cc(Br)c1
|
Cc1ccc(S(=O)(=O)c2c(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)n(CC3CCCO3)c3nc4ccccc4nc23)cc1
|
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2oc(=O)[nH]c2c1
|
OC1(c2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)CCC2(CC1)OCCO2
|
Cc1cc(C[NH2+]CC(C)C)ccc1SCCS(C)(=O)=O
|
CS(=O)(=O)N1CCC(NC(=O)N2CCC(C3CCOC3)C2)CC1
|
N#Cc1c2c(sc1n1ncnc1c1cccs1)CCCCC2
|
Cn1nc(C2CC[NH2+]CC2)nc1NC(=O)CNC(=O)CC1CCCCC1
|
COc1cccc(C[NH2+]C2CC2)c1OCc1sccc1Br
|
O=C(C[NH+]1CCc2ccc(C(F)(F)F)cc2C1)NC1C[NH+](C2CCOCC2)CC1OCc1cccnc1
|
OC1(C[NH2+]C2CCc3c(F)cccc32)CCOCC1
|
CC(CCCCC(C)C(O)c1ccccc1)C(O)c1ccccc1
|
CC1(C)OCC(CNS(=O)(=O)c2ccc(C(=O)[O-])o2)O1
|
CC(C)c1cccc(C(C)C)c1N=Cc1cc(c2ccc(C(F)(F)F)cc2)ccc1O
|
C[NH+](Cc1ccccc1)C1=C(c2ccc(F)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)C1=O
|
CN(C)c1ccc(C=C2C(=O)NC(=S)N(Cc3ccco3)C2=O)cc1
|
C=C(CC)Cn1ccnc1c1cccs1
|
CC(C)[NH2+]Cc1ccccc1Oc1cc(Br)ccc1F
|
Cc1c(NC(=O)C(C)Sc2ccc(NC(=O)c3cccc4cccc(C(=O)[O-])c34)cc2)c(=O)n(c2ccccc2)n1C
|
CCC[NH2+]C1(C(=O)[O-])CCN(C(=O)c2nn(c3ccc(Cl)cc3Cl)c(Oc3ccc(Cl)cc3)c2C#N)CC1
|
Cc1ccc(F)cc1CC(O)c1ccc(C(F)(F)F)cc1
|
CC1(C)OC(=O)C(C(Nc2cnc3ccccc3c2)=[NH+]c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)=C([O-])O1
|
COc1ccc(C2C(c3cc(Cl)c(OC)c(OC)c3)=C(O)C(=O)N2c2ccc(OCC(C)C)cc2)cc1OC
|
CCC[NH2+]C(C1=COCCC1)c1cccc(OC)c1OC
|
Cc1ccccc1C[NH+]1CCCN(C(=O)C[NH+]2CCOC(C(=O)C3CC3)C2)CC1
|
Clc1ccccc1CC12CCC(CC1)C[NH2+]C2
|
CSc1ncc(C(=O)NCCC[NH+]2CCOCC2)c(c2ccccc2)n1
|
COC(=O)C1C2C3=C4C5C(Br)C6C7=C(C8C(Br)C3C3C4C(C(=O)OC)C7C83)C1C6C52
|
CC(O)c1ccc(Oc2ccc(CCO)cc2)cc1
|
CCCCC(=O)OCC(C)OC(=O)C([NH3+])Cc1ccc(OC(=O)CC(C)CC)c(OC(=O)CC(C)CC)c1
|
CC1CCCN(C(=O)C2=CSC34CC=CC=C3N=CC=C24)NC1
|
COc1ccc(C(C)NC(=O)c2ccccc2CCc2ccccc2)cc1
|
CCC1(C(=O)NC(CO)C(C)C)CCC[NH2+]1
|
NC(=O)C1CCCC[NH+]1Cc1ccc(I)cc1
|
Cc1ccc(C(=O)Nc2ccc(F)cc2F)cc1NC(=O)C1CCCN1C(=O)C1CC[NH+](C(C)C(=O)Nc2ccc(C(=O)NCc3ccc(F)cc3)cc2C)CC1
|
CC(C)N(CC[NH3+])S(=O)(=O)c1ccccc1
|
O=C(c1ccccc1)N1CCC2(CC1)Nc1ccccc1-n1cccc12
|
CC(C=O)NC(=O)C(CCO)NC(=O)C(CCCC[NH3+])NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C([NH3+])CCCC[NH3+]
|
CS(=O)(=O)N1CC[NH+](CC(=O)NN)CC1
|
O=C(Nc1ccc(F)nc1)c1noc(C2CCC[NH2+]2)n1
|
CCN(CC)C(=S)SCC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2
|
COC(=O)C1c2cc(OCCc3nc(c4ccccc4)oc3C)ccc2CC[NH+]1Cc1ccc(F)cc1
|
CC1(C)C(=O)N(Cc2cc(F)cc(C(=O)[O-])c2)S1(=O)=O
|
C#CCC[NH+](C)Cc1cscn1
|
CNC(=O)c1ccc(NC2CCN(C(=O)OC(C)(C)C)CC2)cc1
|
COc1cc([S-])cc(C(=O)C(C)Br)c1
|
O=C(CNC(=O)c1ccc(Cl)cc1Cl)NC(c1ccccc1)c1nccs1
|
COc1ccccc1NC(C)(C(=O)[O-])C(C)C
|
COC(=O)c1cc(N)cc(Cl)c1NC(C(N)=O)C(C)C
|
Cc1ccccc1CC(C)NC(=O)CSc1n[nH]c(=S)s1
|
CC(C)(C)OC(=O)c1ccc(NCC(O)CO)nc1
|
NC([NH3+])(NC=O)c1ccccc1
|
CC1(C)OB(c2ccc(N)c(C3COC3)n2)OC1(C)C
|
CCc1ccc(N(C)C(=O)c2ccc3cn[nH]c3c2)cc1
|
CCc1ccc2c(c1)Oc1c(OC)cc(OC)cc1-c1nscc1-2
|
CC1CC(C)(C)N(CCO)c2ccccc21
|
CCOC(=O)c1cn[nH]c1S(=O)(=O)N(CC)c1ccc(C)cc1C
|
CC(CCCO)(CCCO)S(=O)(=O)[O-]
|
Cn1c(=O)c2c3c4ccccc(cccc3oc2[n+](C)c1=O)C4
|
Nc1ncc(CCc2ccc(Cl)cc2)c(N2CC[NH+](CCO)CC2)n1
|
Cc1cccc(OCCN(C)C(=O)c2cc(N)c[nH]2)c1
|
O=S(=O)(NCc1cc(Br)cnc1Cl)c1ccc(F)cc1
|
CS(=O)(=O)CC(=O)N1CCCCC([NH3+])C1
|
C[NH+]=C(NCCCOCc1ccco1)NCc1cccc(C(N)=O)c1
|
COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)CCN1C(=O)c2ccccc2C1=O
|
CCC(C)C(NC(=O)C(CCC(=O)[O-])NC(=O)C1CCC[NH2+]1)C(=O)NC(CC(C)C)C(=O)NC(CC(=O)[O-])C(=O)NC(C(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(C(=O)[O-])C(C)O)C(C)C
|
Nc1c(N2CCCCC2)ncnc1n1ccnc1
|
Cn1ncc(Cl)c1CNC(=O)c1cccc(C#N)c1
|
CCC(=O)c1cc(C)ccc1OCC[NH+]1CCOCC1
|
O=S(=O)(Nc1ccc(Oc2cccnc2)cc1)c1cccnc1
|
CCCc1nc(c2cc(Br)ccc2F)c(N)n1C
|
Cc1cccc(CNc2cnnc(Nc3ccc(N(C)C)cc3)n2)c1
|
O=C(NC1CCC(O)CC1)c1ccc(C#CCO)c(F)c1
|
CC(C)CN(CC1CCC[NH2+]1)c1ncc([N+](=O)[O-])cn1
|
BNC(C(=O)N1CCCC1c1[nH]c(c2ccc(c3ccc(c4c[nH+]c(C5CCCN5C(=O)C(NB)c5ccccc5)[nH]4)cn3)cc2)c[nH+]1)c1ccccc1
|
CCC1CCCCC1C(NN)C1CSCCO1
|
Cc1cccc(NCc2ccc3cc[nH]c3c2)c1C
|
Cc1cc(OC(F)(F)F)cc(C)c1c1cccc2c1CCC2Oc1cc2c(cn1)C(CC(=O)[O-])CS2
|
COc1cccc(NC(=O)COC(=O)c2ccc(S(=O)(=O)N(C)OC)cc2)c1
|
CCn1cnnc1c1cccc(NC(=O)c2sccc2C)c1
|
CC(C)Cc1cc(C[NH3+])nc(S(C)(=O)=O)n1
|
CC([NH3+])C(c1cccc(Cl)c1)N(C)C
|
C[NH+]1CCC(CCNC(=O)C2CCC[NH2+]2)C1
|
CC(=O)C[NH+]1CCN(c2nc(N3CCOC(C)(C)C3)nc(n3c(C(F)F)nc4ccccc43)n2)CC1
|
COCCOCCOC(=O)C(C)NC(=O)C(C)N=C(C)C
|
Cc1ccc(Cl)cc1N1CCN(c2ccc3nnc(c4ccsc4)n3n2)CC1
|
C[NH2+]C(C)(CC(C)N(CC(F)(F)F)C1CC1)C(N)=O
|
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