smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)N(C)CC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000216794538 568467723 /nfs/dbraw/zinc/46/77/23/568467723.db2.gz NTTSFIPXKPZZBP-LJQANCHMSA-N 1 3 415.582 1.741 50 70 HDIAHO CC(C)N(C)CC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000216794538 568467724 /nfs/dbraw/zinc/46/77/24/568467724.db2.gz NTTSFIPXKPZZBP-LJQANCHMSA-N 1 3 415.582 1.741 50 70 HDIAHO