smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1[n-]cnc2c1nc(N=NCc1ccc(O)cc1)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC000016400391 558789965 /nfs/dbraw/zinc/78/99/65/558789965.db2.gz LEZHQGBYWADURM-SNEZMTJISA-N -1 3 402.367 -1.117 40 30 HAEBHM CCCCCCCNC(=O)[C@H](O)[C@@H]1O[C@H](n2cc(F)c(=O)[n-]c2=O)[C@@H](O)[C@@H]1O ZINC000230027980 569383740 /nfs/dbraw/zinc/38/37/40/569383740.db2.gz DMXGKTWTDFFUGU-WKIHFJMMSA-N -1 3 403.407 -1.258 40 30 HAEBHM