smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1nccn1C[C@H]1O[C@@H](n2ccnc2[N+](=O)[O-])[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000005724169	210638565	/nfs/dbraw/zinc/63/85/65/210638565.db2.gz	WEJXWSFQNJZJHV-FHNUBNKASA-N	0	0	370.278	-1.424	1	5		FABFRN
O=[N+]([O-])c1nccn1C[C@@H]1O[C@@H](n2ccnc2[N+](=O)[O-])[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000005724170	204222165	/nfs/dbraw/zinc/22/21/65/204222165.db2.gz	WEJXWSFQNJZJHV-CVPUBMOQSA-N	0	0	370.278	-1.424	1	5		FABFRN
O=[N+]([O-])c1nccn1C[C@H]1O[C@@H](n2ccnc2[N+](=O)[O-])[C@H](O)[C@@H](O)[C@H]1O	ZINC000017217470	211182724	/nfs/dbraw/zinc/18/27/24/211182724.db2.gz	WEJXWSFQNJZJHV-SOYHJAILSA-N	0	0	370.278	-1.424	1	5		FABFRN
O=[N+]([O-])c1nccn1C[C@H]1O[C@@H](n2ccnc2[N+](=O)[O-])[C@H](O)[C@H](O)[C@@H]1O	ZINC000017217473	211183638	/nfs/dbraw/zinc/18/36/38/211183638.db2.gz	WEJXWSFQNJZJHV-VVULQXIFSA-N	0	0	370.278	-1.424	1	5		FABFRN
C[N+](C)(C)C[C@@H](Cn1cnc2c1nc(N)[nH]c2=O)OC[P@@](=O)([O-])O	ZINC000026973174	717114038	/nfs/dbraw/zinc/11/40/38/717114038.db2.gz	NUTFBPHQMGGSOQ-MRVPVSSYSA-O	0	0	361.319	-1.072	1	5		FABFRN
C[N+](C)(C)C[C@H](Cn1cnc2c1nc(N)[nH]c2=O)OC[P@@](=O)([O-])O	ZINC000026973181	717114167	/nfs/dbraw/zinc/11/41/67/717114167.db2.gz	NUTFBPHQMGGSOQ-QMMMGPOBSA-O	0	0	361.319	-1.072	1	5		FABFRN
CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CC2)cc1C(=O)NC[C@@H](O)CO	ZINC000026991995	204858141	/nfs/dbraw/zinc/85/81/41/204858141.db2.gz	ILQGOGISNAREPA-MRVPVSSYSA-N	0	0	359.360	-1.099	1	5		FABFRN
O=C(NC(=O)c1ccc([N+](=O)[O-])cc1)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000038965469	205044362	/nfs/dbraw/zinc/04/43/62/205044362.db2.gz	TXVZHPDFTXBTMX-BZNQNGANSA-N	0	0	371.302	-2.166	1	5	in-vitro	FABFRN
O=[N+]([O-])c1nccn1C[C@@H]1O[C@H](n2ccnc2[N+](=O)[O-])[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000169314935	206250683	/nfs/dbraw/zinc/25/06/83/206250683.db2.gz	WEJXWSFQNJZJHV-SVSWQMSJSA-N	0	0	370.278	-1.424	1	5		FABFRN
O=[N+]([O-])c1nccn1C[C@H]1O[C@H](n2ccnc2[N+](=O)[O-])[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000169314937	206250610	/nfs/dbraw/zinc/25/06/10/206250610.db2.gz	WEJXWSFQNJZJHV-ZJDVBMNYSA-N	0	0	370.278	-1.424	1	5		FABFRN