smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1NN(c2nn[nH]n2)C(=O)C1=Cc1ccccc1 ZINC000334163502 353020639 /nfs/dbraw/zinc/02/06/39/353020639.db2.gz VDVCBIIEVBIPCL-VURMDHGXSA-N -2 2 256.225 -0.339 50 10 CBCALL