SMILES
stringlengths
11
220
Source
stringclasses
16 values
NC(=O)c1cn2sc(O)cc2n1
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Nc1nc2c(s1)Oc1c[nH]cc1O2
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O=c1ncoc(O)c1-n1cccc1
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O=C(O)c1csnc1-n1cccc1
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Nc1cc(Nc2cc(O)c[nH]2)ns1
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Nc1c(O)ccc2c(O)c(O)sc12
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C=C(c1ccsc1)n1ccnc1N
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Nc1[nH]c(=O)sc1-c1ccoc1O
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Nc1cn(-c2cc(O)sc2O)cn1
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O=c1ccoc(-c2nnco2)n1
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Nc1csc2c1[nH]c1sc(O)cc12
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C=CC(=O)Nc1cc(=O)cc[nH]1
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NC(=S)n1ccc2n[nH]cc2c1=O
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Nc1ccc(Nc2ncsc2O)s1
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Nc1n[nH]c2sc(O)cc12
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O=C(c1cncnc1)c1ccon1
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C=Cn1c(O)c(N)c2sc(=O)sc21
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C=c1oc(=C)c2c(O)sc(O)c12
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Nc1cscc1Oc1cnccn1
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NC(=O)Nc1cc2cc(N)[nH]c2s1
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C=c1oc(=O)n2cc(C=O)nc12
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Nc1coc(Nc2cc(O)sn2)c1
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O=c1sc2[nH]c3c[nH]cc3c2s1
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Nc1cc2c([nH]c3ccnn32)s1
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Nc1ccn2c1[nH]c1csc(O)c12
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C=COc1nc(N)n2c(O)csc12
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Nc1sc(O)c2c1-c1ncc(O)n1-2
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O=c1[nH]cc(Nc2ccc[nH]2)s1
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Oc1[nH]ccc1-c1c[nH]c(O)c1O
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Oc1cc2nc3ncoc3n2s1
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O=C(O)c1sncc1-n1ccnc1
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NC(=O)c1cccnc1C=O
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C=COc1c(N)[nH]c2sc(=O)oc12
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Oc1[nH]cc2c1Nc1[nH]ccc1N2
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Nc1cc(Oc2cocn2)sc1O
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NC(=O)c1ccn2cc(O)sc12
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C=Cc1nc2sc(O)cn2c1N
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Nc1oc(O)c(O)c1-c1ccc[nH]1
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Oc1cccn1-c1ncsn1
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Nc1sc(O)c2c1-c1cnc(N)n1-2
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O=C(O)c1c(O)[nH]c2cc(O)cn12
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O=Cc1ccsc1Oc1ccco1
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O=c1sc2[nH]c3cc[nH]c3c2s1
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Nc1[nH]cc(O)c1Oc1ccon1
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Oc1cc(O)n(-c2ccsc2)c1
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O=Cc1cncc(-n2cccc2)n1
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Nc1cc(Nc2cc(O)sn2)c[nH]1
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Nc1nocc1-c1cc(C=O)on1
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Nc1cn2c(nc3c(O)[nH]cc32)s1
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O=Cc1cc2c3ocnc3sn2c1
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NC(=O)c1csc2oncc(=O)c12
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Nc1cc2c(OC=O)c(N)sc2[nH]1
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C=Cn1c(O)c(O)c2c[nH]c(N)c21
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Nc1nc2c(O)c3cc[nH]n3c2s1
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O=CN(C=O)c1nc2c[nH]cc2[nH]1
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Nc1ccn2c(O)c(O)sc12
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C=COc1sc2c(N)ccn2c1O
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Nc1ncc(Nc2cocc2O)s1
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Nc1cc2[nH]c3sc(=O)oc3c2o1
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O=c1[nH]c(-n2cccc2)c(O)s1
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C=Cc1cc2c3[nH]ncc3sn2c1
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Nc1nc2cc(O)sc2[nH]1
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Nc1ncc(Nc2ccsc2N)s1
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Nc1ncc2[nH]c3occ(O)c3n12
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C=Cc1cc(=O)c(C(N)=O)no1
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NC(=O)c1cc(O)c2sc(N)cn12
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C=COc1c(O)[nH]c2sc(N)nc12
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Nc1ncc(Nc2ccc(O)s2)o1
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Nc1snc2c1Oc1[nH]ccc1N2
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Nc1cc(Nc2csc(=O)s2)c[nH]1
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Oc1[nH]cc(N=c2[nH]cc[nH]2)c1O
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Nc1cc(Oc2cncs2)[nH]c1O
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Nc1[nH]ccc(=O)c1-c1ncsn1
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Nc1cc2cc(O)sc2c(N)c1N
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Nc1cc(-c2[nH]c(=O)sc2O)c[nH]1
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Nc1sccc1-n1cc(O)sc1=O
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Nc1cc2sc(O)c(OC=O)c2[nH]1
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NC(=O)c1c(N)[nH]c2sc(N)cc12
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C=COc1c(O)c(O)n2cn[nH]c12
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C=Cc1ccncc1NC(N)=S
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Nc1cc2c([nH]c3cc[nH]c32)s1
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Nc1nocc1-c1nscc1C=O
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NC(=O)c1c(N)cc2sc(O)cn12
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Nc1nc2[nH]c3cccn3c2s1
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C=Cc1c(N)[nH]c2c(N)c(O)sc12
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C=CC(=C)n1ccc2scc(N)c21
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Nc1cscc1-c1conc1C=O
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Nc1ncn2c1-c1c(O)sc(N)c1-2
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C=Cc1nc(=O)cc(N)o1
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Nc1cn2c(sc3[nH]ccc32)c1N
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Nc1nc2c([nH]c3cc[nH]c32)s1
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O=Cc1nocc1-n1cc[nH]c1=O
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NC(=O)Oc1ccc2sc(O)cn12
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Nc1ncc(Nc2ccoc2N)s1
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Nc1[nH]cc(Oc2cnsc2)c1O
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Nc1cc(Nc2ncc(O)s2)co1
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C=C(c1cscn1)n1cnc(N)c1
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Nc1cc(O)sc1Oc1ccc[nH]1
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Nc1c(Oc2cnsc2)coc1O
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Nc1c(O)c(O)cn1-c1cnsc1
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