smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+][C@@H](OP(=O)([O-])[O-])C(=O)[O-] 9970438 169248290 /nfs/dbraw/zinc/24/82/90/169248290.db2.gz WAOSMHXGNYKMCF-SFOWXEAESA-N -2 1 171.045 -1.535 1 0 AAAFML [NH3+][C@H](OP(=O)([O-])[O-])C(=O)[O-] 9970439 169269189 /nfs/dbraw/zinc/26/91/89/169269189.db2.gz WAOSMHXGNYKMCF-PVQJCKRUSA-N -2 1 171.045 -1.535 1 0 AAAFML O=C([O-])N[C@H]1NC(=O)[N-]C1=O 15121709 290727235 /nfs/dbraw/zinc/72/72/35/290727235.db2.gz ZVPZUQFSFYTXRC-PVQJCKRUSA-N -2 1 159.101 -1.581 1 0 biogenic,in-vitro AAAFML