smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH2+]CCn1cc(CCN(C)C)c2c1C(=O)c1cnccc1C2=O ZINC000071341652 203093451 /nfs/dbraw/zinc/09/34/51/203093451.db2.gz OJVFKYPJGLKZFZ-UHFFFAOYSA-N 1 1 326.400 0.982 1 10 ECCFMO