smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCO[C@@H](CN(C)C)C1	ZINC000116783511	382559539	/nfs/dbraw/zinc/55/95/39/382559539.db2.gz	JSPBUODAQKRFDZ-NSHDSACASA-N	0	3	311.342	-0.111	10	5		DBBEHN
CN(C)C[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1	ZINC000246692723	382696366	/nfs/dbraw/zinc/69/63/66/382696366.db2.gz	IOACDQJSZUVNLM-CHWSQXEVSA-N	0	3	313.358	-0.585	10	5		DBBEHN
NS(=O)(=O)c1ccc(NC[C@H]2CNCCO2)c([N+](=O)[O-])c1	ZINC000116883652	374920583	/nfs/dbraw/zinc/92/05/83/374920583.db2.gz	LOAIZVFBLGVYJH-MRVPVSSYSA-N	0	3	316.339	-0.358	10	5		DBBEHN
Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCO[C@H](CN(C)C)C1	ZINC000116783509	382559823	/nfs/dbraw/zinc/55/98/23/382559823.db2.gz	JSPBUODAQKRFDZ-LLVKDONJSA-N	0	3	311.342	-0.111	10	5		DBBEHN
CN(C)C[C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)CCO1	ZINC000116792666	382559709	/nfs/dbraw/zinc/55/97/09/382559709.db2.gz	ZVASHCUXTQIXNO-GFCCVEGCSA-N	0	3	311.342	-0.030	10	5		DBBEHN
CN(C)C[C@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1	ZINC000246692738	382696483	/nfs/dbraw/zinc/69/64/83/382696483.db2.gz	IOACDQJSZUVNLM-OLZOCXBDSA-N	0	3	313.358	-0.585	10	5		DBBEHN
CN(C)C[C@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1	ZINC000174786022	380826771	/nfs/dbraw/zinc/82/67/71/380826771.db2.gz	IOACDQJSZUVNLM-STQMWFEESA-N	0	3	313.358	-0.585	10	5		DBBEHN
CN(C)C[C@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)CCO1	ZINC000116792668	382559975	/nfs/dbraw/zinc/55/99/75/382559975.db2.gz	ZVASHCUXTQIXNO-LBPRGKRZSA-N	0	3	311.342	-0.030	10	5		DBBEHN
CN(C)C[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1	ZINC000174786015	380827109	/nfs/dbraw/zinc/82/71/09/380827109.db2.gz	IOACDQJSZUVNLM-QWHCGFSZSA-N	0	3	313.358	-0.585	10	5		DBBEHN
NS(=O)(=O)c1ccc(NC[C@@H]2CNCCO2)c([N+](=O)[O-])c1	ZINC000116883650	374921059	/nfs/dbraw/zinc/92/10/59/374921059.db2.gz	LOAIZVFBLGVYJH-QMMMGPOBSA-N	0	3	316.339	-0.358	10	5		DBBEHN