smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(C)CC(=O)N/N=c1\cc(C(=O)Nc2ccc(N=O)cc2C#N)oc2cc(O)ccc21 ZINC000018022049 717112787 /nfs/dbraw/zinc/11/27/87/717112787.db2.gz CUVJMSPMNWOASB-UHFFFAOYSA-O 0 0 449.447 2.298 40 50 IEGBRN