SMILES
stringlengths
11
220
Source
stringclasses
16 values
Nc1cc2[nH]c(OC=O)cn2c1O
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Nc1cc(O)c2sc3[nH]ccc3n12
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C=CC(=O)Nc1nc(=O)cc[nH]1
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Nc1ccc2[nH]c3scc(O)c3n12
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C=COc1sc(N)nc1N
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Nc1ccc(N)s1
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Nc1cccn1-c1ccsc1
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O=c1ccn2c(=O)ncoc2n1
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Nc1cc(Nc2nccs2)c(O)[nH]1
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Nc1sc(=O)sc1-n1ccnc1
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Nc1ccc(Oc2ncccn2)s1
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Nc1sc(O)c2c1-n1c(N)cnc1-2
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Nc1nc(-c2cc[nH]c2)c(N)s1
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Nc1sc(O)c2c1-c1[nH]ncc1-2
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Nc1sc2c(O)[nH]c(N)c2c1O
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C=Cc1c(N)nn2c(N)c(O)sc12
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C=CN(C(N)=S)c1ccncc1
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O=Cc1conc1-n1cc[nH]c1=O
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Nc1cc(O)sc1Oc1ccoc1
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Nc1sc(N)c2c1-c1c[nH]cc1-2
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C=Cc1cc2n(c1)sc1nncn12
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NC(=S)Nc1cc2nccnc2o1
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Oc1[nH]c2c(oc3cc[nH]c32)c1O
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Nc1ccn2c1[nH]c1oc(=O)sc12
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Nc1occc1Nc1ncc(O)s1
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Nc1occc1Nc1csc(=O)s1
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Nc1cc(O)sc1Oc1c[nH]cn1
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C=COc1c(N)[nH]c2nc(N)sc12
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Nc1c[nH]c(=Nc2ccoc2)s1
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Nc1cc2sc3oc(=O)sc3n2c1
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C=COc1cn2ccc(O)c2s1
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Oc1sccc1N=c1[nH]cc[nH]1
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O=C(O)n1c(=S)[nH]c2cnccc21
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Nc1cnnc(-c2ncccn2)c1
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Nc1[nH]cc2sc3oc(=O)sc3c12
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Nc1nccc2oc(=O)c(=O)oc12
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NC(=S)Nc1nccc2oncc12
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O=c1[nH]cc(Oc2ncccn2)[nH]1
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Nc1ccn2c1sc1sc(=O)oc12
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NC(=O)Nc1cc2cc(O)sc2[nH]1
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NC(=S)Nc1cc2ncncc2o1
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Nc1cc2c(O)c(N)[nH]c2s1
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Nc1cscc1-n1cnc(=O)cn1
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Nc1ccn2c1Oc1nscc1N2
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Nc1sc(N)c2c1-c1ccnn1-2
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Nc1ncc2sc3[nH]c(O)cc3n12
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NC(=O)c1ncc2c(n1)C(=O)O2
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O=Cc1nc(=O)ccn1C=O
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C=Cc1c(N)[nH]c2sc(=O)oc12
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Nc1cc2nc3occ(O)n3c2s1
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Nc1cn(-c2cc(O)sn2)cc1N
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Nc1[nH]sc2nc3ccncc3c1-2
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Nc1sc(O)cc1-n1cncc1N
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Nc1cnc(N)n1-c1ccsc1O
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NC(=S)n1ccn2ccnc2c1=O
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S=C(Nc1cnco1)n1ccnc1
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Nc1cnn2c1[nH]c1cc(O)sc12
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Oc1ccc(Nc2cn[nH]c2)s1
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C=Cc1ncc2cnc(N)nc2n1
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Nc1nc2c(s1)Oc1cocc1N2
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Nc1cc2[nH]c3sc(N)nc3c2o1
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O=c1cc[nH]c2nc[nH]c(=O)c12
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Nc1cc2c([nH]1)[nH]c1sc(N)cc12
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O=C(c1cncnc1)c1ccsn1
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Nc1[nH]c(O)cc1Nc1nccs1
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Nc1c[nH]cc1Nc1coc(=O)s1
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NC(=O)c1csnc1-n1ccnc1
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Nc1sc(=O)oc1-n1cccc1N
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Oc1cn2c(O)ccc(O)c2c1O
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Nc1cc(Oc2cncs2)[nH]c1N
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Nc1cn2sc3c(O)c[nH]c3c2n1
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Nc1[nH]ccc1-c1c(O)csc1O
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Nc1cc(=O)nc(-c2ccsn2)o1
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NC(=S)n1cnc(=O)c2cscc21
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NC(=S)n1cnc(=O)c2c[nH]cc21
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C=CC(=O)Oc1cc2[nH]ccc2[nH]1
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Nc1c(O)sc2c1cc1[nH]ncn12
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Nc1cc2c([nH]c3scc(N)c32)s1
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C=c1ccn(C(N)=S)ccoc1=C
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Nc1[nH]cc2c1-c1c(N)sc(O)c1-2
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Nc1scc(-n2cncc2N)c1O
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C=C(c1cscc1N)n1cncn1
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C=COc1c(N)sc2[nH]cc(O)c12
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Nc1sc(=O)sc1-n1cccc1O
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Nc1cc(N)n2c1-c1c-2csc1N
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Nc1cc2c([nH]c3c(O)csc32)s1
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Nc1ncc(Nc2[nH]ccc2O)s1
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Nc1cc2c([nH]c3[nH]c(=O)[nH]c32)s1
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O=Cc1nnccc[nH]o1
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Nc1nc(O)c(O)n1-c1ccsc1
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Nc1nc2c(s1)c(O)c1[nH]ccn12
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C=C(n1cccn1)n1cncc1N
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Nc1cc2oc3oc(=O)sc3c2[nH]1
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Nc1[nH]c(=O)sc1-c1cc[nH]c1O
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Nc1n[nH]cc1-c1cocc1C=O
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NC(=CO)c1c[nH]c2sc(N)nc12
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Oc1[nH]cc2[nH]c3occ(O)c3c12
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O=c1ncnc2n1-c1ccncc1-2
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C=COc1nsc2cc(O)c(N)n12
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O=c1ccn2sc(O)cc2n1
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