smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)N1CCN2c3ccc(NC=C4C(=O)NC(=O)NC4=O)cc3CC3(C(=O)N(C)C(=O)N(C)C3=O)[C@@H]2C1 ZINC000009233416 553224406 /nfs/dbraw/zinc/22/44/06/553224406.db2.gz ZHGMBVLEBALTRK-KRWDZBQOSA-N 0 1 523.506 -1.022 50 10 KACAMN CC(=O)N1CCN2c3ccc(NC=C4C(=O)NC(=O)NC4=O)cc3CC3(C(=O)N(C)C(=O)N(C)C3=O)[C@H]2C1 ZINC000009233419 553224387 /nfs/dbraw/zinc/22/43/87/553224387.db2.gz ZHGMBVLEBALTRK-QGZVFWFLSA-N 0 1 523.506 -1.022 50 10 KACAMN