SMILES
stringlengths
11
220
Source
stringclasses
16 values
O=c1ccoc(-c2ncon2)c1
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Nc1nc(N)c(-c2cocc2O)s1
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C=Cc1cc2sn3cnnc3n2c1
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Nc1cc2occocnn2c1N
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Oc1cc2ocnnc[nH]c2s1
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NC(=S)n1c(=O)[nH]c2cccnc21
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C=Cc1ncnc2cc(C=O)oc12
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Nc1csc(N)c1Oc1ccsn1
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Nc1cnc(-c2cscc2N)cn1
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Nc1cn2sc3scc(N)c3c2n1
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Oc1csc2c1cc1ccsn12
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Nc1cc2oc3sc(O)cc3c2[nH]1
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O=Cc1nc(Oc2cccs2)no1
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Nc1ncc(-n2cccc2N)cn1
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Oc1[nH]c2nc3occn3c2c1O
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Nc1occ2[nH]c3oc(=O)sc3c12
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Nc1n[nH]c2c1cc1sc(O)cn12
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Nc1[nH]ccc1Nc1c[nH]c(=O)s1
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Nc1sc2[nH]c(O)cc2c1OC=O
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O=c1ccoc(-c2ccno2)c1
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NC(=S)n1cc(O)c2scnc21
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Nc1nc2c([nH]c3c(O)[nH]cc32)s1
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C=CN1C(=O)c2c(N)ncnc21
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C=COc1cc(O)n2cnsc12
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c1cc2c3[nH]ccc3sn2c1
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c1cc2cnocnc-2ccnn1
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Oc1[nH]ncc1Oc1cccnn1
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Nc1[nH]ccc1-c1sc(=O)oc1O
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Nc1occc1-c1cocc1C=O
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NC(=S)Nc1coc2ccc(N)n12
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C=CC(=C)n1cnn2cc(N)cc12
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NC(=O)n1ccc(=O)c(C=O)c1
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Nc1cc2nc3c(O)csn3c2o1
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Nc1cc2[nH]c3cc(N)sc3n2c1
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O=Cc1csnc1Oc1c[nH]cn1
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NC(=O)c1c(O)ncnc1C=O
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Nc1c[nH]c(O)c1-c1c[nH]c(=O)s1
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c1cnc2cnncc2c1
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C=COc1cn2ncn(C=O)c2n1
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Nc1nc2c(oc3c[nH]c(N)c32)s1
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Nc1c(O)c[nH]c1Oc1ccsn1
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O=Cc1cscc1-n1cccc1
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C=C(C=O)Oc1cccnc1N
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C=Cc1ccn2sc3ncnn3c12
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Nc1oc(O)c(O)c1-c1cc[nH]c1
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Oc1cc(-c2nccnn2)c[nH]1
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NC(=O)c1coccc1=O
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NC(=S)n1cnc(-c2ccon2)c1
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C=COC(=C)c1cc2ccsn2c1
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C=Cc1nc(=O)c(=O)[nH]c(=O)[nH]1
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O=c1ccc2noc(O)c2cn1
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Nc1cc(-c2cc(O)sc2O)c[nH]1
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Nc1cc(Nc2c[nH]c(=O)s2)c[nH]1
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Nc1ccn2c1sc1oc(=O)[nH]c12
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NC(=S)Nc1cn2ccc(N)c2o1
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Nc1c[nH]c(Oc2ccsc2)c1O
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C=COc1c(N)sc2c(N)ccn12
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O=Cc1conc1Oc1ncc[nH]1
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C=C(C=O)Oc1cc(=O)cc[nH]1
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Nc1ncnc(=O)c2c[nH]c(O)c12
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O=c1[nH]cc(-c2cc[nH]c2O)s1
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C=Cc1nnc(C=O)c2ccsc12
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Nc1c2cc[nH]c2n2ccsc12
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C=COc1csc2c(N)sc(=O)n12
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Nc1[nH]cc2[nH]c(=O)c(=O)oc12
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C=C(C(=O)O)n1ccc2ncoc21
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Nc1scc2c1-c1ccc(N)n1-2
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C=Cc1nc(=O)c2c(O)ncn2o1
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O=COc1cc2nc(=O)ccn2o1
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NC(=S)Nc1cc2ocnc2cn1
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O=Cc1coc2[nH]c(=O)[nH]c2c1=O
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Nc1nc(-c2cocn2)c(O)s1
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NC(=O)c1cc2cnncc2cn1
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Nc1c[nH]c2c1[nH]c1sc(O)cc12
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NC(=O)c1c(N)[nH]c2sc(O)cc12
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O=Cc1nncc2sccc12
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C=COc1cc(=O)nc2ncon12
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S=C(Nc1cnsc1)n1cccc1
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Nc1cc2c(O)c(O)[nH]n2c1O
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Nc1ccc(Nc2ncc[nH]2)s1
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NC(=O)c1ccc2cncnc2n1
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Nc1nocc1-c1coccc1=O
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Nc1c[nH]c(Oc2ccc(O)s2)n1
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C=c1ccn(C=O)c(=S)[nH]c(=C)o1
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Nc1cc(O)n(-c2csc(N)n2)c1
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Nc1ccoc1Nc1ccsc1O
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Nc1sccc1Oc1cscn1
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Oc1cn(-c2cocn2)c(O)c1O
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C=CC(=O)n1ccc(O)cc1=O
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Nc1cn2cc(OC=O)[nH]c2c1O
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Nc1cc2c(NC=O)c(O)sc2[nH]1
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Nc1cc(=O)ccn1-c1cnsc1
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Nc1c(NC=O)cn2cc(O)sc12
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Nc1csc(Nc2ncccn2)c1
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C=CC(=C)n1cnc2n[nH]c(N)c21
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C=Cc1cc2c3cnoc3sn2c1
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NC(=S)n1cnc2ccccc21
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C=COc1csn2cc(O)cc12
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Nc1nc(O)cn1-c1ccccn1
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Nc1ccc2sc3[nH]c(=O)sc3n12
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