smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NS(=O)(=O)c1ccc(CCNC(=O)CCN2CCC(NS(=O)(=O)c3cccs3)CC2)cc1 ZINC000514402947 1066226940 /nfs/dbraw/zinc/22/69/40/1066226940.db2.gz UEYXCHDFQFNSEA-UHFFFAOYSA-N 0 3 500.668 0.887 20 0 KCADHN