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)CCCN1CCN(c2cc(=O)[nH]cn2)C[C@@H](O)C1 ZINC000217803111 395840908 /nfs/dbraw/zinc/84/09/08/395840908.db2.gz FLYSXVKPNFMYJG-ZDUSSCGKSA-N 2 0 309.414 0.007 50 70 DCIARP [NH3+][C@@H]1CCN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000160189108 197391964 /nfs/dbraw/zinc/39/19/64/197391964.db2.gz VWZTYOPUJRVZGE-CQSZACIVSA-N 2 0 303.410 0.153 50 70 DCIARP C[N@@H+]1CCCN(CC(=O)N2CCC[C@@H](c3ncc[nH]3)C2)CC1 ZINC000216846945 416327392 /nfs/dbraw/zinc/32/73/92/416327392.db2.gz JPIMKDXJQCGSGV-CQSZACIVSA-N 2 0 305.426 0.753 50 70 DCIARP