smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)CCCNC(=O)NCc1cc(O)c([O-])c(Br)c1Br ZINC000013450081 562987265 /nfs/dbraw/zinc/98/72/65/562987265.db2.gz LYBIWQWLDSLCDP-UHFFFAOYSA-N -1 1 440.088 2.375 1 10 IECFMM