smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1cccc(CC)c1[N-]S(=O)(=O)c1cccc(C(=O)OC)c1 ZINC000218218017 241306551 /nfs/dbraw/zinc/30/65/51/241306551.db2.gz XWBOVSGACNDPKZ-UHFFFAOYSA-N -1 1 347.436 3.399 40 70 EGIBMM