smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(CN=Nc2nc3c(ncnc3N)n2[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)ccc1OCc1ccccc1 ZINC000008964834 553194750 /nfs/dbraw/zinc/19/47/50/553194750.db2.gz DKTLXRGFGHOKLO-GPISRHIDSA-N 0 1 521.534 1.054 40 30 KDEBMN COc1cc(CN=Nc2nc3c(ncnc3N)n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)ccc1OCc1ccccc1 ZINC000008964835 553194762 /nfs/dbraw/zinc/19/47/62/553194762.db2.gz DKTLXRGFGHOKLO-ZUAIKAEWSA-N 0 1 521.534 1.054 40 30 KDEBMN COc1cc(CN=Nc2nc3c(ncnc3N)n2[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)ccc1OCc1ccccc1 ZINC000008964836 553194754 /nfs/dbraw/zinc/19/47/54/553194754.db2.gz DKTLXRGFGHOKLO-WYIOBNEKSA-N 0 1 521.534 1.054 40 30 KDEBMN COc1cc(CN=Nc2nc3c(ncnc3N)n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)ccc1OCc1ccccc1 ZINC000008964837 553194788 /nfs/dbraw/zinc/19/47/88/553194788.db2.gz DKTLXRGFGHOKLO-DAPGCOCZSA-N 0 1 521.534 1.054 40 30 KDEBMN 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