smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(C)CCO[P@@](=O)([O-])OCCCCCCCCCCCCCCCCCl ZINC000040896472 717128034 /nfs/dbraw/zinc/12/80/34/717128034.db2.gz LJQXOJNYPGLJSR-UHFFFAOYSA-O 0 0 443.029 6.526 1 50 IKGFRN