SMILES
stringlengths
11
220
Source
stringclasses
16 values
C=CC(=C)n1c(N)nc2oncc21
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Nc1cc(O)sc1Oc1cocn1
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Nc1cc(Nc2nccs2)c(O)o1
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Nc1cc(Oc2cscn2)[nH]c1O
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Nc1snc2c1Oc1cc[nH]c1N2
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Nc1cc2c([nH]c3sc(N)cc32)s1
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O=c1cc2occc(=O)n2cn1
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C=COc1c(O)sc2n[nH]c(N)c12
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Nc1ncc(Nc2cccs2)s1
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Nc1cc(Oc2ncsn2)co1
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Nc1cc2sc(O)c(NC=O)n2c1
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Oc1c2[nH]ccc2n2ccsc12
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Nc1nc2c([nH]c3[nH]cc(O)c32)s1
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Nc1cc(O)cc2sc(O)c(N)c12
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Nc1oc2[nH]cc(OC=O)c2c1N
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Nc1cc(O)cn1-c1ccsc1
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Nc1c(O)sc2c(N)c(O)[nH]c12
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NC(=O)c1ccc(O)nc1C=O
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O=Cc1ncccc1C(=O)O
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Nc1cc2c3[nH]ncc3sn2c1
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Nc1c(O)[nH]c2sc(O)cc12
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C=COc1cn2ccc(N)c2s1
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Nc1nc2oc3sccc3n2c1N
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O=c1scc(Nc2cn[nH]c2)s1
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C=Cc1cnc2[nH]c(OC=O)nn12
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C=c1n(C(N)=S)c(=O)c2cccn12
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Nc1cc2c([nH]c3[nH]cc(O)c32)s1
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Nc1nc2cc(O)sc2c(O)c1N
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C=Cc1ccsc1-n1cncc1N
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Nc1cc2oc3sc(O)cc3n2n1
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Nc1ncn(-c2ccsc2O)c1N
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NC(=S)n1ccc2cocc2c1=O
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Nc1cc(N)c2c(O)c(O)sc2n1
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Nc1ncc(Nc2c[nH]cc2O)s1
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Nc1cc2cc(O)[nH]c2s1
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C=COc1c(O)[nH]c2nc(N)sc12
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C=C(N)c1c[nH]c2cc(O)sc12
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O=Cc1conc1Nc1nccs1
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Nc1cc2cc3snc(N)n3c2s1
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C=COc1sc2coc(N)c2c1O
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Nc1sc2occccoc2c1N
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Nc1cc(O)n2c1-c1c-2csc1N
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Nc1nsc2c1oc1ccc(O)n12
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Nc1sc(=O)oc1Nc1ccc[nH]1
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C=Cc1nnc2c3ccoc3sn12
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Nc1ccc(Nc2ccsc2O)s1
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Nc1nc2c(s1)Nn1cccc1O2
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Nc1cc(N)n(-c2csc(O)c2)c1
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C=Cc1c(O)[nH]c2c(N)c(O)sc12
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C=Cc1nnc2c3cc[nH]c3sn12
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Nc1[nH]c(O)c2sc(O)cc12
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O=Cc1ccn2sc3oncc3c12
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Nc1cc(Oc2cn[nH]c2)sc1O
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Nc1cc2c(C=CO)c[nH]c2s1
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C=c1n(C(N)=S)c(=O)c2cncn12
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Oc1ccc(Oc2ncon2)[nH]1
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O=c1ccn2c(=O)ccoc2c1
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C=Cn1c(=O)[nH]c2c(N)sc(N)c21
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O=C(O)c1cscc1-n1ccnc1
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Nc1cc2sc3oncc3n2c1O
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NC(=S)n1cnc2c(O)cncc21
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Nc1[nH]cc2[nH]c3sc(=O)[nH]c3c12
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O=COc1cn2c(O)c(O)cc2[nH]1
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Nc1ccc(-n2cc(O)sc2=O)[nH]1
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O=c1ccoc(-c2ncsn2)n1
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c1cc(N=c2nc[nH]cn2)ccn1
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Nc1nc2cc(O)sc2c(O)c1O
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C=Cn1c(O)c(O)c2c(O)occ21
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NC(=O)c1cc(N)n2c(O)csc12
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Nc1cc(=O)ncn1-c1cnsc1
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Nc1cnc(N)c2sc(=O)sc12
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C=COc1c(O)sc2[nH]ccc12
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Nc1c[nH]c2ccc(O)n12
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Nc1[nH]c(O)c2sc3[nH]cnc3c12
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Nc1c[nH]c2nc3sc(O)cc3n12
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NC(=O)n1ccc2cc(O)sc21
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Nc1nsc2[nH]n3ccc(O)c3c12
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Nc1csc(Oc2cccnn2)c1
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Nc1cc2c([nH]c3c(N)coc32)s1
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Nc1snc2c1-c1ccc(N)n1-2
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Nc1occ(Oc2cnsc2)c1N
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Nc1cn(-c2ccoc2O)c(=O)s1
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NC(=O)Nc1ccc2sc(N)cn12
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Nc1cc(Nc2cnc(N)s2)co1
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Nc1occc1Oc1cc(O)sn1
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C=CC(=O)Oc1cn2nccc2[nH]1
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Nc1nc2c([nH]c3cc(O)sc32)s1
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Nc1occc1-c1sc(=O)oc1N
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NC(=S)Nc1nc2ccccc2o1
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Nc1nc(-n2cccc2O)c(N)s1
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Nc1snc2c1-c1c(O)cc(O)n1-2
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Nc1ccc(Oc2cscc2N)[nH]1
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C=Cc1ncsc1-n1cncc1N
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Nc1cn2sc3cc[nH]c3c2n1
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O=Cc1cnc(-c2ncsn2)nc1
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Nc1ccc(O)c2c(N)c(O)sc12
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c1cn2sc3occc3c2n1
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Nc1cc2[nH]c3sc(N)cc3c2o1
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C=C(c1cnsc1)n1nccc1N
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Nc1nc2c(s1)c(O)c1occn12
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