smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)ccc1OCC(=O)N1CCOCC1 ZINC000409012938 560665679 /nfs/dbraw/zinc/66/56/79/560665679.db2.gz RYDJYAHHNKNHHP-UHFFFAOYSA-N -1 1 405.432 -0.153 40 10 HBCBMM