smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCC[NH+](CCCC)CC(C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])=C(C)NNC(=O)C[N+](C)(C)C ZINC000005809914 717101709 /nfs/dbraw/zinc/10/17/09/717101709.db2.gz UOAMPZWVUJHLKD-XGDNCFSYSA-O 2 0 522.627 3.158 40 50 KGGBRP CCCC[NH+](CCCC)CC(C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])=C(C)NNC(=O)C[N+](C)(C)C ZINC000005809915 717101956 /nfs/dbraw/zinc/10/19/56/717101956.db2.gz UOAMPZWVUJHLKD-CQKAXJAZSA-O 2 0 522.627 3.158 40 50 KGGBRP CCCC[NH+](CCCC)CC(C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])=C(C)NNC(=O)C[N+](C)(C)C ZINC000016957723 717112277 /nfs/dbraw/zinc/11/22/77/717112277.db2.gz UOAMPZWVUJHLKD-AHDHHBBCSA-O 2 0 522.627 3.158 40 50 KGGBRP CCCC[NH+](CCCC)CC(C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])=C(C)NNC(=O)C[N+](C)(C)C ZINC000017211465 717112229 /nfs/dbraw/zinc/11/22/29/717112229.db2.gz UOAMPZWVUJHLKD-VIHXGXMLSA-O 2 0 522.627 3.158 40 50 KGGBRP