smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1cc(=O)[n-]cc1[N+](=O)[O-]	34079257	169283536	/nfs/dbraw/zinc/28/35/36/169283536.db2.gz	ZPJIDQYWANWLCL-UHFFFAOYSA-N	-1	3	155.113	-0.135	50	5	in-vitro	ABBAHM
Nc1cc[n-]c(=O)c1[N+](=O)[O-]	15021887	169290277	/nfs/dbraw/zinc/29/02/77/169290277.db2.gz	RGLDNSAKBSIEHN-UHFFFAOYSA-N	-1	3	155.113	-0.135	50	5	in-vitro	ABBAHM
O=C([O-])[C@@H]1CC1[N+](=O)[O-]	5157293	169348536	/nfs/dbraw/zinc/34/85/36/169348536.db2.gz	ZWYGYMZMGJZSMM-GBXIJSLDSA-N	-1	3	131.087	-0.264	50	5	in-vitro	ABBAHM
O=C([O-])[C@@H]1CC1[N+](=O)[O-]	5157273	169349728	/nfs/dbraw/zinc/34/97/28/169349728.db2.gz	ZWYGYMZMGJZSMM-PWNYCUMCSA-N	-1	3	131.087	-0.264	50	5	in-vitro	ABBAHM
O=C([O-])[C@H]1CC1[N+](=O)[O-]	5157126	169353843	/nfs/dbraw/zinc/35/38/43/169353843.db2.gz	ZWYGYMZMGJZSMM-HRFVKAFMSA-N	-1	3	131.087	-0.264	50	5	in-vitro	ABBAHM
O=C([O-])[C@H]1CC1[N+](=O)[O-]	5157085	169354764	/nfs/dbraw/zinc/35/47/64/169354764.db2.gz	ZWYGYMZMGJZSMM-STHAYSLISA-N	-1	3	131.087	-0.264	50	5	in-vitro	ABBAHM
Nc1[n-]c(=O)ccc1[N+](=O)[O-]	21985741	171041339	/nfs/dbraw/zinc/04/13/39/171041339.db2.gz	JFGLOZOVAGYLKU-UHFFFAOYSA-N	-1	3	155.113	-0.135	50	5	in-vitro	ABBAHM
Cc1n[n-]c(=O)c(N)c1[N+](=O)[O-]	3878065	342985747	/nfs/dbraw/zinc/98/57/47/342985747.db2.gz	XGVDCQRICPNGEW-UHFFFAOYSA-N	-1	3	170.128	-0.019	50	5		ABBAHM
CC(C)([C@H](N)C(=O)[O-])[N+](=O)[O-]	39058285	351487042	/nfs/dbraw/zinc/48/70/42/351487042.db2.gz	SVQLBNMIYIBLOU-GSVOUGTGSA-N	-1	3	162.145	-0.546	50	5	in-vitro	ABBAHM
CC(C)([C@@H](N)C(=O)[O-])[N+](=O)[O-]	141249449	351745178	/nfs/dbraw/zinc/74/51/78/351745178.db2.gz	SVQLBNMIYIBLOU-VKHMYHEASA-N	-1	3	162.145	-0.546	50	5	in-vitro	ABBAHM