smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1ccc(N2C(=O)NC(=O)C(=O)C2=O)cc1	ZINC000001666458	132314474	/nfs/dbraw/zinc/31/44/74/132314474.db2.gz	OWZLYLVDNRVMRI-UHFFFAOYSA-N	0	2	233.183	-0.579	40	10		BBCBLN
Nc1n[n-]c([N+](=O)Nc2nc(N)n[nH]2)n1	ZINC000016382819	344304593	/nfs/dbraw/zinc/30/45/93/344304593.db2.gz	NEUDVQGJZYASGZ-YPKPFQOOSA-N	0	2	210.161	-0.987	40	10		BBCBLN
Nc1n[nH]c(N[N+](=O)c2n[n-]c(N)n2)n1	ZINC000016382819	344304591	/nfs/dbraw/zinc/30/45/91/344304591.db2.gz	NEUDVQGJZYASGZ-YPKPFQOOSA-N	0	2	210.161	-0.987	40	10		BBCBLN
[N-]=[N+]=NC1(N=[N+]=[N-])C(=O)NC(=O)NC1=O	ZINC000095670615	187326763	/nfs/dbraw/zinc/32/67/63/187326763.db2.gz	HVWNWWZDGXPLIN-UHFFFAOYSA-N	0	2	210.113	-0.331	40	10		BBCBLN
Nc1c(=O)[nH]n(-c2ccc([N+](=O)[O-])cc2)c1O	ZINC000222552533	386052334	/nfs/dbraw/zinc/05/23/34/386052334.db2.gz	BQLCZXKFPFHMST-SSDOTTSWSA-N	0	2	236.187	-0.700	40	10		BBCBLN
Nc1c(=O)[nH]n(-c2ccc([N+](=O)[O-])cc2)c1O	ZINC000222552601	386053463	/nfs/dbraw/zinc/05/34/63/386053463.db2.gz	BQLCZXKFPFHMST-ZETCQYMHSA-N	0	2	236.187	-0.700	40	10		BBCBLN
COc1ccc(-n2[nH]c(=O)c(N)c2O)cc1	ZINC000222552853	175140070	/nfs/dbraw/zinc/14/00/70/175140070.db2.gz	VIDOFUBNEPRUIQ-MRVPVSSYSA-N	0	2	221.216	-0.600	40	10		BBCBLN
COc1ccc(-n2[nH]c(=O)c(N)c2O)cc1	ZINC000222552913	175140088	/nfs/dbraw/zinc/14/00/88/175140088.db2.gz	VIDOFUBNEPRUIQ-QMMMGPOBSA-N	0	2	221.216	-0.600	40	10		BBCBLN