smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1[N-]C(=O)C(=CNCCNC=C2C(=O)[N-]C(=O)NC2=O)C(=O)N1 ZINC000006191575 668592468 /nfs/dbraw/zinc/59/24/68/668592468.db2.gz VWVNXQZIDPGTDK-UHFFFAOYSA-N -2 3 336.264 -3.335 50 10 EACAHL