smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C/C(=C\CO[P@](=O)([O-])O[P@@](=O)([O-])O)CC/C=C(\C)CNc1ccccc1 ZINC000013916185 560221015 /nfs/dbraw/zinc/22/10/15/560221015.db2.gz HODAIPJPJAZJEY-GGQZXFEVSA-N -2 1 405.324 3.998 1 0 in-vitro HHAFML C/C(=C\CO[P@](=O)([O-])O[P@](=O)([O-])O)CC/C=C(\C)CNc1ccccc1 ZINC000013916185 560221017 /nfs/dbraw/zinc/22/10/17/560221017.db2.gz HODAIPJPJAZJEY-GGQZXFEVSA-N -2 1 405.324 3.998 1 0 in-vitro HHAFML