smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N@H+](C)CC(=O)N1CCC([NH+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000216813330 568467994 /nfs/dbraw/zinc/46/79/94/568467994.db2.gz MDRIIUBUGKPUCZ-GOSISDBHSA-N 2 0 401.555 1.353 50 70 HDIARP CC(C)[N@H+](C)CC(=O)N1CCC([NH+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000216794538 568467716 /nfs/dbraw/zinc/46/77/16/568467716.db2.gz NTTSFIPXKPZZBP-LJQANCHMSA-N 2 0 415.582 1.741 50 70 HDIARP