smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#[N+]CC(=O)OC[C@H]1NC(=O)[C@@H](COC(=O)C[N+]#N)NC1=O ZINC000005371527 181235252 /nfs/dbraw/zinc/23/52/52/181235252.db2.gz FQOSBNGBQBYQIE-PHDIDXHHSA-N 2 0 310.226 -3.343 40 10 DACBRP N#[N+]CC(=O)OC[C@H]1NC(=O)[C@H](COC(=O)C[N+]#N)NC1=O ZINC000017063602 534974166 /nfs/dbraw/zinc/97/41/66/534974166.db2.gz FQOSBNGBQBYQIE-OLQVQODUSA-N 2 0 310.226 -3.343 40 10 DACBRP N#[N+]CC(=O)OC[C@@H]1NC(=O)[C@H](COC(=O)C[N+]#N)NC1=O ZINC000005371534 534974045 /nfs/dbraw/zinc/97/40/45/534974045.db2.gz FQOSBNGBQBYQIE-WDSKDSINSA-N 2 0 310.226 -3.343 40 10 DACBRP