SMILES
stringlengths
11
220
Source
stringclasses
16 values
Nc1ccn2oc3sc(=O)oc3c12
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Nc1[nH]c2[nH]cc(OC=O)c2c1N
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Nc1occc1Nc1ncccn1
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Nc1c[nH]c(Oc2cnsc2)c1
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C=C(c1cnsc1)n1cnc(N)c1
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C=COc1nsc2c(N)c(N)cn12
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Nc1nc(O)c(Nc2ccoc2)s1
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O=C(c1cccnc1)c1nccs1
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Nc1ncc(Nc2cc(O)cs2)[nH]1
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Nc1cnn(-c2sccc2O)c1N
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C=Cc1nnc2c(c1N)OC2=O
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Nc1cc(O)sc1Oc1ccno1
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Nc1cc(Nc2sccc2N)sn1
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Nc1c[nH]c(N)c1-c1coc(=O)s1
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Oc1cc2cccc(O)n2c1O
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C=c1occ[nH]c(=S)n2cnnc12
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Oc1cc2ccsn2c1
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C=c1cnncc(=C)c(=O)c1=O
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Nc1ccc(Oc2ncc(O)s2)s1
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NC(=S)Nc1nsc2ccoc12
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NC(=S)n1cnc2cc(O)ccc21
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O=c1[nH]c(Oc2ncccn2)co1
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Nc1csn2c1nc1cc(O)[nH]c12
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C=C(C=O)c1nc(=O)ccc(=O)[nH]1
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O=c1ncn2c(n1)-c1ncccc1-2
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Nc1csc(Oc2cscn2)n1
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Nc1cc(Oc2c[nH]cn2)c(N)s1
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O=Cc1nnc2ocnc(O)c1-2
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C=Cc1cnc2c3ccoc3sn12
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O=Cc1nncc2sncc12
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Nc1[nH]c(=O)n2c1sc1occc12
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C=C1C=Nc2c(C=O)cncc21
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Nc1noc2c1c(O)c1sccn12
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Nc1cscc1-c1ccoc1C=O
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Nc1nc2[nH]n3cccc3c2s1
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Nc1ccsc1Oc1ncsn1
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O=Cc1nnc[nH]oc2cscc12
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O=C1Oc2nncc3cccc1c23
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C=c1nc[nH]c2cccn2c(=S)[nH]1
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NC(=O)c1cc2oncc(=O)c2s1
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Nc1cc2c([nH]1)Oc1nscc1O2
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C=CC(=O)c1cncc2oncc12
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Nc1nc2oc3c[nH]c(O)c3c2s1
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O=Cn1cnc2cc3ccsn3c21
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C=c1oc(=O)c(=C)c(=O)c(=C)c1=C
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Nc1c(Oc2ccsn2)coc1O
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Nc1ncnc(=O)c2scc(O)c12
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C=COc1c(O)c(N)n2cnsc12
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Nc1cc(-c2coc(C=O)c2)cs1
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Nc1ccn2ocnc(=O)c12
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C=Cc1ccc(Oc2cscn2)[nH]1
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Nc1cc2n(c1)c(N)c1sccn12
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Oc1ncn2c1sc1[nH]ccc12
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C=Cc1ncnc(O)c2ncnc1-2
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O=c1cnc2cncnc2c(=O)o1
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Nc1sc(O)c(O)c1-c1cnoc1
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Nc1sc(O)c2c1-n1c-2c[nH]c1=O
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C=Cc1cnc2c3ncoc3sn12
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O=Cc1coc2ccsc2c1=O
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C=Cn1ncc(=O)c2nccnc21
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O=Cc1nncc2oncc12
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NC(=S)n1cnc2ccoc2c1=O
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Nc1c(O)sc2nn3cccc3n12
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Nc1ccc(Nc2cocn2)s1
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NC(=O)c1[nH]c2sc(N)cc2c1N
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Nc1cc2[nH]c(N)c(OC=O)n2c1
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C(=Cc1ccc[nH]1)Oc1cscn1
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c1ncc2cc3cnoc3nc2n1
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Nc1ccc(Nc2csc(O)c2)[nH]1
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O=CNc1cnc2ncncc2c1
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Nc1cccn1-c1cnoc1
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C=CC(=O)c1csc2occ(N)c12
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O=c1cc(O)n2cccc2cn1
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NC(=O)c1c(O)sc2scc(N)c12
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Oc1cnc2sc3scnc3n12
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C=COc1nsc2cc(N)c(N)n12
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C=CC(=O)n1ccc(=O)cc1O
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Nc1[nH]cnc(=O)c1C(=O)C=O
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Nc1cc2c([nH]c3sc(N)cc32)o1
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Nc1cccc(N)c1-c1cscn1
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C=Cn1cnc(=O)c2nccnc21
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Nc1cc2oc3sc(=O)oc3c2[nH]1
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OC=Cc1cc2cc(O)sc2[nH]1
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Nc1ccc2n1Nc1nscc1O2
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Nc1ccn(C(=O)c2cscn2)c1
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Nc1cccn1-c1sc(=O)oc1O
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C=C(c1c[nH]cn1)n1ccnc1N
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c1ncc2nc3ocnc3cc2n1
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Nc1ccc2oc(OC=O)cn12
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C=Cn1cnncc2scnc2o1
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C=Cc1nsc2ncn(C(N)=S)c12
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Nc1ncnc(=O)c2ccncc12
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Nc1cc2sc(OC=O)cn2c1O
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O=Cc1cc2c3ncoc3sn2c1
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Nc1csn2c1nc1cc[nH]c12
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Nc1cnn2c1oc1cc(O)sc12
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O=CNc1ccc(=O)[nH]c(=O)n1
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O=c1cc(-c2nnco2)ocn1
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O=Cc1cnccc1-c1nccs1
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C=COc1nsc2c(O)c(N)cn12
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