smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1NC(=O)C(=CNn2cnnc2)C(=O)N1 ZINC000014138003 342877569 /nfs/dbraw/zinc/87/75/69/342877569.db2.gz VSWQNAMLDINSDG-UHFFFAOYSA-N 0 2 222.164 -1.929 40 10 BACBLN