smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1c2c(O)ccc(O)c2C(=O)c2c([N+](=O)[O-])ccc(O)c21 ZINC000019832398 406886529 /nfs/dbraw/zinc/88/65/29/406886529.db2.gz PPXPCKBOIVQWQT-UHFFFAOYSA-N -2 2 301.210 1.487 40 10 DDCBLL O=C1NC(=S)NC(=O)C1=Cc1cc(Cl)cc(Cl)c1O ZINC000299839173 410641310 /nfs/dbraw/zinc/64/13/10/410641310.db2.gz QMSWBQJNRTWOMB-UHFFFAOYSA-N -2 2 317.153 1.613 40 10 DDCBLL