smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(C[C@H]1SC(=O)NC1=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000096916380 209161808 /nfs/dbraw/zinc/16/18/08/209161808.db2.gz MNMITHSSVTZWCX-MRVPVSSYSA-N 0 2 352.353 1.885 1 5 FDBFLN COc1c(O)c2c(=O)oc3c(OC)c(O)cc4c(=O)oc(c1OC)c2c43 ZINC000015216480 220149642 /nfs/dbraw/zinc/14/96/42/220149642.db2.gz BLICLJSLKJVPKA-UHFFFAOYSA-N 0 2 360.274 1.927 1 5 FDBFLN