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)C[C@H]1c2cccnc2Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c21 ZINC000217996539 569455627 /nfs/dbraw/zinc/45/56/27/569455627.db2.gz OGLYFVWRFOPZRW-HNNXBMFYSA-N -2 2 431.400 4.067 50 70 biogenic IIIALL COC(=O)C[C@@H]1c2cccnc2Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c21 ZINC000217996455 569455633 /nfs/dbraw/zinc/45/56/33/569455633.db2.gz OGLYFVWRFOPZRW-OAHLLOKOSA-N -2 2 431.400 4.067 50 70 biogenic IIIALL