smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1nc2c(ncn2[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000027562869	556297219	/nfs/dbraw/zinc/29/72/19/556297219.db2.gz	LRWGRHODUMQEKS-FSLVRNTJSA-N	0	0	491.373	-1.271	40	5		JABBRN
O=C(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000027562872	556297213	/nfs/dbraw/zinc/29/72/13/556297213.db2.gz	LRWGRHODUMQEKS-MJRMRKOOSA-N	0	0	491.373	-1.271	40	5		JABBRN
O=C(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1nc2c(ncn2[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000027562875	556297222	/nfs/dbraw/zinc/29/72/22/556297222.db2.gz	LRWGRHODUMQEKS-ADTUEAJISA-N	0	0	491.373	-1.271	40	5		JABBRN
O=C(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1nc2c(ncn2[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000035088771	569674698	/nfs/dbraw/zinc/67/46/98/569674698.db2.gz	LRWGRHODUMQEKS-YYGKBEQOSA-N	0	0	491.373	-1.271	40	5		JABBRN
O=C(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1nc2c(ncn2[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000035088774	527248731	/nfs/dbraw/zinc/24/87/31/527248731.db2.gz	LRWGRHODUMQEKS-NBCLGQJJSA-N	0	0	491.373	-1.271	40	5		JABBRN
CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](CO)O[C@H]1Oc1ccc([N+](=O)[O-])cc1	ZINC000077311739	569705851	/nfs/dbraw/zinc/70/58/51/569705851.db2.gz	JQGZMRCVWYGGHU-PIRDJKQGSA-N	0	0	488.446	-2.231	40	5	in-vitro	JABBRN