smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CS(=O)(=O)[N-][C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000005880687	170150083	/nfs/dbraw/zinc/15/00/83/170150083.db2.gz	PONRZCGYVXGRIU-VHSXEESVSA-N	-1	3	290.297	-0.462	40	5		CBBBHM
Cn1cnc([N+](=O)[O-])c1Sc1c[nH]c(=O)[n-]c1=O	ZINC000013283543	351336774	/nfs/dbraw/zinc/33/67/74/351336774.db2.gz	XRSAJUMCMWAUKZ-UHFFFAOYSA-N	-1	3	269.242	-0.144	40	5		CBBBHM
NC(N)=N[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000006224647	351323451	/nfs/dbraw/zinc/32/34/51/351323451.db2.gz	WYQHUBOILRBWPH-UHFFFAOYSA-N	-1	3	293.692	-0.075	40	5		CBBBHM
O=c1[nH]c2cc3nc4[nH]c(=O)[n-]c(=O)c4nc3cc2[nH]1	ZINC000000972851	285198897	/nfs/dbraw/zinc/19/88/97/285198897.db2.gz	HSNGJGFYJZJWPA-UHFFFAOYSA-N	-1	3	270.208	-0.259	40	5		CBBBHM
CS(=O)(=O)[N-][C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000005880688	170149779	/nfs/dbraw/zinc/14/97/79/170149779.db2.gz	PONRZCGYVXGRIU-UWVGGRQHSA-N	-1	3	290.297	-0.462	40	5		CBBBHM
NC(N)=N[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000013808146	170596557	/nfs/dbraw/zinc/59/65/57/170596557.db2.gz	FWMVNDTWIJETQQ-UHFFFAOYSA-N	-1	3	259.247	-0.729	40	5		CBBBHM
CS(=O)(=O)[N-][C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000005880690	170150035	/nfs/dbraw/zinc/15/00/35/170150035.db2.gz	PONRZCGYVXGRIU-ZJUUUORDSA-N	-1	3	290.297	-0.462	40	5		CBBBHM
CS(=O)(=O)[N-][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000005880689	170149986	/nfs/dbraw/zinc/14/99/86/170149986.db2.gz	PONRZCGYVXGRIU-NXEZZACHSA-N	-1	3	290.297	-0.462	40	5		CBBBHM