smiles
stringlengths 7
778
|
|---|
Cc1cc(F)cc(c2cncc3[nH]c(c4n[nH]c5ccc(c6cncc(NC(C)C)c6)cc54)cc32)c1
|
O=C1CSC2(C(=O)N(Cc3noc(CCl)n3)c3ccccc32)N1c1ccccc1
|
[NH3+]C1(Cc2ccc(Br)cc2F)Cc2ccccc2C1
|
CCOC(=O)C(C#N)=CNN
|
c1ccc2c(c1)ccc1cc(c3ccc4ccc(c5cc6ccc7ccccc7c6c6c7ccccc7ccc56)cc4c3)c3ccc4ccccc4c3c12
|
CC[NH2+]Cc1cc(C[NH+](CC)CC(CC)CC)c(C)s1
|
COC(=O)c1ccc(C(=O)OCC(=O)Nc2ccccc2SCC#N)cc1
|
CC(=O)c1c(C)[nH]c(C(=O)C(C)Sc2nc(C)c(C)n2C2CCCC2)c1C
|
CCC(NC(=O)c1ccnc(NN)c1)C1CCCCC1
|
Cn1c(Br)[nH+]cc1c1ccc2cnccc2c1
|
C[NH+](Cc1ncccn1)C1CCN(C(=O)C2(C)CCC(=O)NC2)C1
|
CCc1ccc(CNC(=O)c2ccc(CSc3nc4ccncc4n3Cc3ccccc3F)cc2)cc1
|
COCCNC(=O)C(C)N(CCC[NH3+])c1ccccc1
|
NC(=O)C(NC(=O)NC1CCc2c(Cl)cccc21)C(N)=O
|
COCCn1c(=NC(=O)c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)sc2cc(NC(C)=O)ccc21
|
Cn1c(C2(c3ccc(Cl)cc3)CCC2)nnc1c1ccc(OC2CC2)cc1
|
CN(C)C(=O)c1cc(NC(=O)CCCCCC[NH3+])ccc1F
|
CC1CN(C(=O)C([NH3+])CCc2ccccc2)CCCO1
|
NC(=O)c1cc(N)cnc1NCCOCC1CC1
|
Cn1cc(c2[nH+]c3nc(C(=O)N4CCC([NH+](C)C)CC4)[nH]c3c(N3CCOCC3)c2F)cn1
|
CCC(C)NC(=O)C1CSCN1C(=O)C1CCc2nncn2C1
|
CCCCCCC(=O)NCCCC(NC(=O)CCCCCC)C(=O)[O-]
|
Cc1nc(C(C)NC(=O)c2ncccc2OCC(F)(F)F)cs1
|
C=[SiH]OC1CCC2=CC(=O)C(C(C)=O)CC2(C)C1C
|
CCn1ccc2cccc(N)c21
|
CC(C)C(=O)Nc1ccc(C2=NNC(=O)CC2)cc1
|
Fc1ccc(CC(CCl)(CCl)c2ccccc2Br)cc1
|
COC(=O)C(=Cc1ccc(c2ccccc2Cl)s1)NC(=O)c1ccccc1
|
CCOc1nc(Cl)nc(Nc2cc(OC)c(Br)cc2Br)n1
|
OC(c1ccc(OC2CC2)cc1)C1CCCCC1
|
CCCCc1ccc(Nc2ncnc(NCCC)c2[N+](=O)[O-])cc1
|
CCCC(S)CCCCC(=O)NCCOC(=O)C(C)(CC)CC(C)(C)C(=O)OCC[N+](C)(C)CC(=O)[O-]
|
CCC(C)[NH2+]CC(=O)NC(C)(CO)c1ccccc1
|
COc1cccc2cc(C(=O)NCc3ccco3)c(=Nc3ccccc3F)oc12
|
Cc1ccc(=O)n(CC[NH+]2CCN(C(=O)c3cscn3)CC2)n1
|
CC1CN(C(=O)C(F)(F)C(F)F)CCC1O
|
CNc1ncccc1S(=O)(=O)NCCCSC
|
CN(C)C(=O)Cn1cc(c2cnc(C(C)(c3ccc(c4cnc(N)nc4)cc3)C3CC3)s2)cn1
|
S=c1c([SeH])c([SeH])c1=S
|
O=C([O-])C1CCCCC1C(=O)c1ccc(F)c(F)c1
|
CCC(C#N)=C(Cl)C12CC3CC(CC(C)(C3)C1)C2
|
CC[NH2+]C1CCOCC1Sc1n[nH]c(=O)n1C
|
[CH]1c2cccc(c2)[CH]c2cc(cc(c3ccc(Cc4ccccc4)cc3)c2)[CH]c2cc(cc(c3ccc(Cc4ccccc4)cc3)c2)[CH]c2cccc1c2
|
C=CCn1c(C)nnc1SCc1ccccc1C(=O)N1CCN(c2ccccc2F)CC1
|
COCCC(=O)N1CCC(Nc2ccc(Cl)cn2)CC1
|
C=C(Br)COc1cc(F)cc(F)c1
|
CN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2)cc1
|
Cn1ncc(Br)c1c1cccc(Nc2nc3ccccc3[nH]2)c1
|
CCCOCCCNC(=O)C1C[NH2+]Cc2ccccc21
|
NC(=O)CC([NH3+])C(=O)NC1CCC(=O)NC1
|
CCC(C#N)C(=O)NCC1CC1C
|
COC(=O)CCNC(=O)Nc1ccc2oc(C(F)(F)F)nc2c1
|
Cc1ccc(c2nc(C(=O)N3CCOC4(CCCOC4)C3)cs2)c(C)c1
|
CSc1ccc(CCC=O)cc1C(=O)[O-]
|
CSc1nc(Cl)cc(Nc2ccc(C)nc2)n1
|
CC(C)c1cc(CCl)cc(N(C)c2ccc(F)cc2)n1
|
CCOc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OCC(=O)[O-]
|
COc1c(OC)c2c(nnn2c2cccc(O)c2)c2c1=NN=2
|
Cc1cc(N2CCCC(NC(=O)N3CCC([NH+](C)C)C3)C2)n(C)n1
|
Cc1csc(NC(=O)NCc2ccc(CO)cc2)n1
|
O=C(OCc1nc(c2ccc(F)cc2)no1)c1ccccc1Cl
|
[NH3+]C(c1cc([N+](=O)[O-])ccn1)C1CC1
|
[NH2+]=C1C(=Cc2ccc(c3cc(Cl)ccc3Cl)o2)C(=O)[NH+]=C2SC(Cc3ccccc3)=NN12
|
CC(C)CCCC[NH2+]C1CCCC1(C)C
|
CCCNc1cc(C(=O)Nc2ccn(C)n2)cc(CC)n1
|
Cc1cccc2[nH]c(c3ccc(c4ccc(C[NH2+]C(C)C)cc4)cc3)nc12
|
CN(C(=O)OC(C)(C)C)C1(C(=O)[O-])CC2CCC1C2
|
Cc1ccc(NC2COCC2C(=O)[O-])c([N+](=O)[O-])c1
|
CCOCn1c([Se]c2cc(F)cc(F)c2)c(C(C)C)c(=O)[nH]c1=S
|
CCCCO[Sn](C)(CCCC)CCCC
|
CC[Si](C)(C)C1CC(=O)c2cc(C)ccc21
|
CCCC(CCO)C[NH2+]C(C)c1ccc2c(c1)CCO2
|
CC(Nc1ccc2[nH]ccc2c1)c1c(F)cccc1F
|
N#Cc1ccc(C(=O)N([NH2+]C2CC2)C(=S)NC2CCCCC2)cc1
|
O=C(Cc1csc(NC(=O)c2cccs2)n1)NCCc1cccc(Cl)c1Cl
|
CC(C)CCN(C)c1nccc(C(N)=[NH+]O)n1
|
CC(=O)N(CC(=O)Nc1ccc(N2CCCCC2)cc1)c1c(F)cccc1F
|
N#CCc1cc(OC(F)(F)F)nc(C(F)(F)F)c1I
|
Cc1ccc2c(c1)C(C)(C)c1cc(c3ccc(C=Cc4ccc(C)s4)s3)ccc1-2
|
CN1CCC(N(C)C(=O)NC2CCn3cc[nH+]c3C2)C1=O
|
CC(=O)C(C)(C)CCC(=O)NC(C)C
|
CCOc1ccc(OCC)c(NC(=O)CCCCCl)c1
|
NC1=[NH+]N=C(c2ccncn2)CC1
|
CC(=O)CC(C)[NH+]1CCCC2CCCCC21
|
N#CCCc1ccc(I)cc1C(F)(F)F
|
CCN(Sc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1cc(C)c(C)c(C(=O)OC)c1
|
CCC(C)CCCCCC1=C(C)CC=C1
|
N#Cc1ccc(S(=O)(=O)N2CC3C4C=CC(O4)C3C2)cc1Br
|
[NH3+]CC#Cc1ccc(S(=O)(=O)N2CC3CCCC3C2)cc1
|
CC[NH+](Cc1c(F)cccc1F)CN1C(=O)C(=O)N(CCC2=CCCCC2)C1=O
|
CC(C)CC(NC(=O)C(Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)NC(=O)C(C)NC(=O)C1CCCN1C(=O)C1CCCN1C(=O)C(NC(=O)C(CO)NC(=O)C(CCC(N)=O)NC(=O)C(NC(=O)C(NC(=O)C(C)[NH3+])C(C)O)C(C)O)C(C)O)C(=O)[O-]
|
[NH3+]Cc1ccc(c2ccc(Cl)c(Cl)c2)o1
|
O=C([O-])CCCc1nc2scc(C3CCOC3)c2c(=O)[nH]1
|
NNc1ncccc1S(=O)(=O)NCCc1cccc(F)c1
|
COC(=O)c1cnc(c2cccc(C(F)(F)F)c2)c(N)c1
|
CN1C(=O)CC(C(=O)Nc2ccc(Br)cc2Cl)C1c1cccnc1
|
Cc1sc2c(C)cccc2c1S(=O)(=O)N1CCn2cnnc2C1C
|
O=C(c1ccco1)N1CCN(C(=O)C2CCC(C(=O)N3CCCC3)CC2)CC1
|
COc1ccccc1C(O)c1cc(Br)c(Br)s1
|
O=C([O-])c1sc(CCc2ccccc2)nc1c1ccccc1
|
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