smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)Cn1ncc2c1nc[nH+]c2Nc1ccc(N)cc1 ZINC000096914180 185391139 /nfs/dbraw/zinc/39/11/39/185391139.db2.gz GTNYKVQDWOZGTQ-UHFFFAOYSA-N 1 2 312.333 1.715 1 10 DDCFLO CCn1c2[s+]cnn2c(O)c(Cc2ccc(Cl)cc2)c1=O ZINC000101329018 193811589 /nfs/dbraw/zinc/81/15/89/193811589.db2.gz VIHCNYAKSWGBOJ-NSHDSACASA-N 1 2 322.797 1.950 1 10 DDCFLO