smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1oc2cc(S(=O)(=O)Nc3cc[nH+]cc3)ccc2c2ccc(S(=O)(=O)Nc3cc[nH+]cc3)cc21 ZINC000009489583 553273222 /nfs/dbraw/zinc/27/32/22/553273222.db2.gz YGOPMQIIAUVCJV-UHFFFAOYSA-N 2 2 508.537 3.338 50 5 KGBALP