smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [O-]/N=C/c1cc[n+](COC[n+]2ccc(/C=N/O)c(F)c2)cc1F ZINC000040408558 183062364 /nfs/dbraw/zinc/06/23/64/183062364.db2.gz UBIAJVNIKSKXSK-UHFFFAOYSA-P 2 1 324.287 0.788 1 30 DCEFMP