smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1nc2nc3nc(=O)[n-]c(=O)c3nc2c(N)[nH]1	ZINC000001628370	342706338	/nfs/dbraw/zinc/70/63/38/342706338.db2.gz	OSMDMYJRPDXLDJ-UHFFFAOYSA-N	-1	0	246.190	-1.474	40	5		BABBRM
Cn1c([O-])c([N+](=O)[O-])c(=O)n(C)c1=O	ZINC000001654170	180623120	/nfs/dbraw/zinc/62/31/20/180623120.db2.gz	LNCMPHONLFYCDM-UHFFFAOYSA-N	-1	0	201.138	-1.302	40	5		BABBRM
Cn1c(=O)c([N+](=O)[O-])c2[n-]ncn2c1=O	ZINC000100169615	384621574	/nfs/dbraw/zinc/62/15/74/384621574.db2.gz	MNDBHAVQFBUIIQ-UHFFFAOYSA-N	-1	0	211.137	-1.371	40	5		BABBRM
Cc1n[n-]c2c([N+](=O)[O-])c(=O)[nH]c(=O)n12	ZINC000100366418	384636617	/nfs/dbraw/zinc/63/66/17/384636617.db2.gz	WXJYZGSSKDWWJT-UHFFFAOYSA-N	-1	0	211.137	-1.072	40	5		BABBRM
NC(=O)c1cn(CC(=O)[O-])nc1[N+](=O)[O-]	ZINC000238850670	181308364	/nfs/dbraw/zinc/30/83/64/181308364.db2.gz	CLRSRVTYUVGDAG-UHFFFAOYSA-N	-1	0	214.137	-1.025	40	5		BABBRM
NC(=O)c1nn(CC(=O)[O-])cc1[N+](=O)[O-]	ZINC000238855891	181313825	/nfs/dbraw/zinc/31/38/25/181313825.db2.gz	TWNABUOYKWLIFX-UHFFFAOYSA-N	-1	0	214.137	-1.025	40	5		BABBRM
O=C([O-])c1[nH]nc([N+](=O)[O-])c1[N+](=O)[O-]	ZINC000409419127	384491764	/nfs/dbraw/zinc/49/17/64/384491764.db2.gz	VVIOCVCYTHCMDZ-REOHCLBHSA-N	-1	0	202.082	-1.239	40	5		BABBRM
O=C([O-])c1[nH]nc([N+](=O)[O-])c1[N+](=O)[O-]	ZINC000409419128	182427650	/nfs/dbraw/zinc/42/76/50/182427650.db2.gz	VVIOCVCYTHCMDZ-UWTATZPHSA-N	-1	0	202.082	-1.239	40	5		BABBRM