smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc3c(ccn3C)c2)c(O)cc1O[P@@](=O)([O-])O ZINC000043202882 563119435 /nfs/dbraw/zinc/11/94/35/563119435.db2.gz JNWFIPVDEINBAI-UHFFFAOYSA-N -1 2 444.384 3.020 10 0 IGAELM CC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc3c(ccn3C)c2)c(O)cc1O[P@](=O)([O-])O ZINC000043202882 563119437 /nfs/dbraw/zinc/11/94/37/563119437.db2.gz JNWFIPVDEINBAI-UHFFFAOYSA-N -1 2 444.384 3.020 10 0 IGAELM