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)(CCCl)CCCC(=O)[O-] 142515114 717152509 /nfs/dbraw/zinc/15/25/09/717152509.db2.gz PGTDCDNXWZREED-UHFFFAOYSA-O 0 0 194.682 1.166 1 50 ADGFRN C[N+](C)(CCl)CCCC(=O)[O-] 142403437 717152582 /nfs/dbraw/zinc/15/25/82/717152582.db2.gz PLARUJSYWSZAMC-UHFFFAOYSA-O 0 0 180.655 1.124 1 50 ADGFRN