smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCN1C(=O)NC(=O)C(=CNCCN2CC[NH2+]CC2)C1=O ZINC000019359483 182118557 /nfs/dbraw/zinc/11/85/57/182118557.db2.gz VGHGDZFMLHXUHN-QXMHVHEDSA-N 1 1 323.397 -0.756 50 10 DBCAMO CCCCN1C(=O)NC(=O)C(=CNCCN2CC[NH2+]CC2)C1=O ZINC000100792051 379839184 /nfs/dbraw/zinc/83/91/84/379839184.db2.gz VGHGDZFMLHXUHN-VAWYXSNFSA-N 1 1 323.397 -0.756 50 10 DBCAMO C[NH+](C)CCNC=C1C(=O)NC(=O)N(Cc2ccco2)C1=O ZINC000002248617 382213330 /nfs/dbraw/zinc/21/33/30/382213330.db2.gz FLGOZIPTMRHKHH-FLIBITNWSA-N 1 1 306.322 -0.107 50 10 DBCAMO C[NH+](C)CCNC=C1C(=O)NC(=O)N(Cc2ccco2)C1=O ZINC000100768963 379839129 /nfs/dbraw/zinc/83/91/29/379839129.db2.gz FLGOZIPTMRHKHH-DHZHZOJOSA-N 1 1 306.322 -0.107 50 10 DBCAMO