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)(CCO)CC(=O)NN 31847298 717120247 /nfs/dbraw/zinc/12/02/47/717120247.db2.gz JACRIHGYZMGYAC-UHFFFAOYSA-O 1 0 162.213 -1.955 10 50 AAGERO C[N+]1(CC(=O)NN)CCOCC1 31847288 717120383 /nfs/dbraw/zinc/12/03/83/717120383.db2.gz NHNXSVNUOQOZDX-UHFFFAOYSA-O 1 0 174.224 -1.547 10 50 AAGERO