SMILES
stringlengths
11
220
Source
stringclasses
16 values
C=COc1cc2cc(O)c(O)n2[nH]1
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Nc1cn2c(nc3cc(O)cn32)s1
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C=COc1c(N)[nH]c2sc(N)cc12
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Oc1[nH]c2nc3cc[nH]n3c2c1O
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Nc1cc2c([nH]c3cc(O)[nH]c32)s1
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C=c1c(=O)[nH]cnoc2cncn12
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Nc1cc2[nH]cc(NC=O)n2c1O
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C=CC(=O)Oc1coc2cncn12
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NC(=S)n1cnc2ccncc21
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Nc1c[nH]c(Oc2cscn2)c1N
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Nc1cc(N=c2[nH]cc[nH]2)sc1O
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C=Cc1conc(C(N)=O)c1=O
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Nc1cc(N)n2c1sc1cc[nH]c12
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Nc1csc(O)c1Oc1ccsn1
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Nc1[nH]c(O)c(O)c1-c1cocn1
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Nc1ncc2n1cc1scc(O)n12
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Oc1cc2c3[nH]ncc3sn2c1
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C=Cc1ccn(-c2ccsc2)c1N
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Nc1nc2c([nH]c3cc(O)[nH]c32)s1
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Nc1ccn2c1sc1[nH]ccc12
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Nc1ccn2c1sc1[nH]cc(O)c12
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Nc1cn2c(nc3c[nH]c(O)c32)s1
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Nc1[nH]cc2c(OC=O)c(O)sc12
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C=c1oc2cncn2ncoc1=O
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Nc1nc2[nH]c3cc(O)cn3c2s1
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Nc1cc2c(O)c(O)[nH]c2s1
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Nc1ccc(O)n1-c1ccc(O)s1
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NC(=O)c1nscc1-n1cccc1
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C=Cn1c(O)c(O)c2c(O)[nH]cc21
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Nc1cc2occ(OC=O)n2c1O
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Nc1cc2c([nH]1)[nH]c1sc(=O)sc12
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O=c1cc(O)n2c(O)ccc2[nH]1
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C=Cc1nnc2c(O)c(O)sn12
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Nc1nc2c([nH]c3c(N)coc32)s1
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Nc1cn(-c2csc(=O)s2)cc1N
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O=CNc1c(O)sc2[nH]ccc12
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Nc1nc(=O)c2c(=O)[nH]ccc2[nH]1
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C=COc1c(N)sc2[nH]cc(N)c12
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Nc1[nH]c(O)c2sc3occc3c12
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Nc1[nH]cc2oc3nsc(O)c3c12
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Nc1cc2c([nH]c3cc(N)sc32)s1
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Nc1cc2n(cc3sc(O)cn32)n1
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Nc1cc2c([nH]c3cc(O)sc32)s1
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S=C(Nc1ccsc1)n1ccnc1
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Nc1cc(O)sc1Oc1cnoc1
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C=COc1c(N)sc2c[nH]c(N)c12
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O=Cc1csnc1Oc1ccco1
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Nc1cc2oc3oc(=O)sc3n2c1
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Nc1c[nH]c2nc3cc(O)sc3n12
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Nc1cc2c([nH]1)[nH]c1cc(O)sc12
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Nc1c[nH]cc1Nc1ncc(O)s1
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Nc1cc2c([nH]c3c(N)csc32)s1
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Nc1cc(Oc2cc[nH]c2)sc1O
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Nc1cc(O)n(-c2cscc2N)c1
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C=COc1sc2c[nH]c(N)c2c1O
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O=Cc1conc1Nc1ncco1
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Nc1nscc1-n1cc(O)cc1N
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Nc1scc(Oc2cscn2)c1N
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Nc1cc(Nc2cnc(N)s2)cs1
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Nc1ccn2c1sc1[nH]cc(N)c12
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Nc1cc2nc3scc(O)n3c2[nH]1
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C=COc1c(N)sc2[nH]c(N)nc12
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Nc1cc(=O)c2cc(O)sc2[nH]1
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O=Cc1cc2c3[nH]cnc3sn2c1
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Nc1c[nH]c2[nH]c3sc(=O)sc3c12
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NC(=S)n1ccn2cccc2c1=O
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NC(=S)n1cnc2c(=O)ccoc21
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Nc1sc(O)cc1Oc1ccc[nH]1
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Nc1ccn2c1oc1nsc(N)c12
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O=Cc1cocc1Nc1ccco1
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Nc1csc2c1[nH]c1ccc(O)n12
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O=Cc1cocnnc[nH]1
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Nc1[nH]c(N)c2c1sc1[nH]ccc12
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Nc1cc2[nH]c3oc(=O)sc3n2c1
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Nc1cc(Oc2cnco2)sc1O
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Nc1c(Oc2cocn2)coc1O
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Nc1nc(Nc2ccoc2)c(O)s1
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Nc1cocc1Nc1csc(=O)s1
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O=c1[nH]cc2sc3[nH]ccc3n12
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Nc1ccn2c1sc1[nH]c(=O)oc12
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Nc1c(O)cc(N)c2sc(O)cc12
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C=CC(=C)n1c(N)nc2[nH]cnc21
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Nc1cc2[nH]c(O)c(OC=O)n2c1
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O=Cc1cscc1Oc1ccco1
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Oc1cc(Nc2cccs2)ns1
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Nc1[nH]cc2[nH]c3oc(=O)sc3c12
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Nc1cccn1-c1cscc1O
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Nc1cc2c(OC=O)c(N)[nH]c2s1
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Nc1cc2c(nc3sc(O)cn32)o1
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Nc1cc2sc(=O)sc2c(O)c1N
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Nc1cc2[nH]c3sc(=O)oc3c2[nH]1
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Nc1cc2sc3oncc3n2c1N
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Nc1cccn1-c1csc(=O)s1
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Nc1sc(=O)sc1-c1c[nH]c(O)c1
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O=CNc1ncncc1C=O
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C=C(C=O)c1cc(O)cc(O)c1
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Nc1nc(Nc2ccsc2)c(O)s1
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O=c1ccoc(O)c1-n1cccc1
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Oc1[nH]c2c([nH]c3cccn32)c1O
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Nc1cc2c(NC=O)c(O)[nH]c2s1
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