smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000005579310 207108558 /nfs/dbraw/zinc/10/85/58/207108558.db2.gz UZKSIVGPWQRGOU-UHFFFAOYSA-N 0 2 365.374 -0.106 1 5 FBBFLN