SMILES
stringlengths
11
220
Source
stringclasses
16 values
Nc1cn2cc3sc(O)cn3c2n1
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C=Cn1ncc(=O)cc1N
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O=Cc1cnc2ncoc2n1
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C=Cn1c(N)cc(=O)cc1N
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O=Cc1coc(Oc2ccc[nH]2)c1
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Nc1cc(=O)c2cnsc2c(=O)[nH]1
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O=c1ncc2ncccc2[nH]c1=O
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C=Cn1cnc2ncc(C=O)nc21
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O=COc1cn2cc(O)c(O)c2[nH]1
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C=Cc1ncnc(=O)c(=O)[nH]1
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C=C(C=O)Oc1[nH]nc2occc12
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Nc1cc(O)sc1Nc1cccs1
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Nc1nc(-c2cc(=O)cco2)no1
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O=Cc1ccnc2nc(O)ccc12
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C=Cc1csnc1-n1ccc(N)c1
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C=Cn1c(=O)ccc(=O)c(=C)c1=C
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Nc1noc2c1sn1cc(O)cc21
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NC(=S)NC(=O)c1cccnc1
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Nc1cc2[nH]c3nc(N)sc3c2o1
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O=C1NC(=O)c2nccnc21
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C=C(C=O)c1ccc(C=O)cn1
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C=CC(=O)c1coc2c(N)[nH]nc12
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Nc1cc2c(O)c(O)sc2cc1O
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C=CC(=O)n1cnn2c(O)cnc12
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Nc1cccc(-c2cscn2)c1N
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O=Cc1ncc(-n2cccc2)nn1
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Nc1[nH]c2sc(O)cc2c1N
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C=Cc1c(N)[nH]c2sc(O)c(O)c12
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C=COc1sc(N)cc1O
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O=Cc1ccc(-c2ccsn2)nn1
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Oc1cnc(-n2cccc2)nn1
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O=C(Oc1cc[nH]c1)c1ncns1
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O=Cn1c(=O)ccc2cccnc21
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O=Cc1ccn2sc3ocnc3c12
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O=CNc1nncc2cnccc12
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Nc1[nH]cc(Nc2cnsc2)c1O
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C=CC(=C)n1c(O)cc2cc[nH]c21
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c1ncc2cc3ncoc3nc2n1
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Oc1occ2c1cc1sncn12
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Nc1cc2c([nH]c3oc(O)cc32)s1
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C=C(C=O)Oc1n[nH]c2cc[nH]c12
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Nc1cc(-n2ccnc2)c(O)s1
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C=COc1ncn2sccc12
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Nc1nsc2occ(C=O)c(=O)c12
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Nc1csn2c1nc1c(O)c[nH]c12
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Nc1occc1Oc1cscn1
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O=Cc1cnc2o[nH]c(O)c-2c1=O
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NC(=O)c1cc(=O)c2ncsc2o1
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Nc1cnccc1Oc1ncsn1
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O=Cc1ccccc1-c1nncs1
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Nc1ccc2nscc2c(=O)n1
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c1cn2sc3cc[nH]c3c2n1
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Nc1coc(-c2cscc2C=O)c1
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Nc1sc2c(N)[nH]cc2c1NC=O
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O=Cc1nncc2ccsc12
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Oc1ccncc2ccnc1-2
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C=COc1sn2cc(N)nc2c1N
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c1cccc2nc[nH]ncc-2cc1
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C=C(c1c[nH]cn1)n1cncc1N
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Nc1nc2oc3ccc(N)n3c2s1
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NC(=S)Nc1coccc1=O
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C=CC(=O)c1ccc(C=O)nc1
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NC(=S)n1cccc1-n1ccnc1
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Nc1[nH]c2sc(O)cc2c1O
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Nc1nc(-c2[nH]ccc2O)c(O)s1
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Nc1cc2c(s1)c(O)c1nc[nH]n12
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O=c1ccoc(-c2cscn2)c1
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O=c1cc(O)n2cncc2cn1
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Nc1cc2c(s1)Nc1conc1O2
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O=Cc1nccc2c(=O)ccoc12
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Oc1cn2sc3[nH]ccc3c2n1
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O=Cc1cscc1-c1csc(=O)[nH]1
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C=COc1cnc2cccnc2n1
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NC(=O)c1cc(=O)ncn1C=O
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Nc1ccc2n1Nc1csnc1O2
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Nc1[nH]c(N)c2c1sc1ocnc12
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Nc1cc(O)cn1-c1cc(O)sn1
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C=Cn1c(O)c(N)c2sc(N)nc21
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Nc1cc(O)c(-n2cncc2O)s1
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O=Cc1cn(C=O)ccc1=O
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S=C(Nc1ccon1)n1cccc1
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Nc1nc(O)c(-c2c[nH]cc2O)s1
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C=Cn1ncc(=O)cc1NC=O
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Nc1cccn1-c1cc(O)cs1
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O=Cc1nnc(-c2ccsn2)s1
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Nc1ccn(-c2ccsn2)c1O
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Nc1cn(-c2ccncc2)c(N)n1
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Nc1cc2c([nH]c3scnc32)s1
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Nc1ccc2nccnc2n1
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NC(=S)n1cncc1-c1ccon1
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NC(=O)Nc1[nH]c2cc[nH]c2c1O
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C=COc1cn2c(N)cc(O)c2s1
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Nc1cc2c(O)c[nH]c2s1
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Nc1ncc2oc3c[nH]c(O)c3n12
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Nc1nc2c([nH]c3c[nH]c(O)c32)s1
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Nc1cscc1Oc1cnncn1
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Nc1nc2c(s1)Oc1cc[nH]c1N2
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C=C(C=O)c1nccc(N)n1
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Nc1cc2[nH]c3oc(=O)sc3c2s1
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Nc1cc(-n2cnnc2C=O)cs1
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