smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)c1ccccc1[N+](=O)[O-]	ZINC000102582284	472582678	/nfs/dbraw/zinc/58/26/78/472582678.db2.gz	ZWUBIHQHUMOAJC-RYUDHWBXSA-N	-2	3	329.316	2.603	50	5		EFBAHL
Cc1ccc([N-]C(=O)c2c(C(=O)[O-])cccc2[N+](=O)[O-])c([N+](=O)[O-])c1	ZINC000004459945	210195615	/nfs/dbraw/zinc/19/56/15/210195615.db2.gz	RUTRIPZHMCLWJH-UHFFFAOYSA-N	-2	3	345.267	2.762	50	5		EFBAHL
Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)c1ccc([N+](=O)[O-])cc1	ZINC000102582265	219212636	/nfs/dbraw/zinc/21/26/36/219212636.db2.gz	URMHWACRBKBXAZ-RYUDHWBXSA-N	-2	3	329.316	2.603	50	5		EFBAHL
O=C([O-])c1ccccc1[N-]c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000104233707	219363009	/nfs/dbraw/zinc/36/30/09/219363009.db2.gz	WGTKBFIDYWKWJS-UHFFFAOYSA-N	-2	3	348.227	2.853	50	5		EFBAHL
Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)c1ccc([N+](=O)[O-])cc1	ZINC000248044265	474250317	/nfs/dbraw/zinc/25/03/17/474250317.db2.gz	URMHWACRBKBXAZ-ITGUQSILSA-N	-2	3	329.316	2.603	50	5		EFBAHL
Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)c1cccc([N+](=O)[O-])c1	ZINC000247993218	474241123	/nfs/dbraw/zinc/24/11/23/474241123.db2.gz	BOAHLJCNLSTQQN-ITGUQSILSA-N	-2	3	329.316	2.603	50	5		EFBAHL
O=C([O-])c1ccc([N-]c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	ZINC000104233813	219363356	/nfs/dbraw/zinc/36/33/56/219363356.db2.gz	IFFWELKVXWIAJA-UHFFFAOYSA-N	-2	3	348.227	2.853	50	5		EFBAHL
Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000004600304	471469553	/nfs/dbraw/zinc/46/95/53/471469553.db2.gz	XKPSPSYYHAENDZ-UHFFFAOYSA-N	-2	3	343.343	2.558	50	5		EFBAHL
Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)c1cccc([N+](=O)[O-])c1	ZINC000018208034	211990613	/nfs/dbraw/zinc/99/06/13/211990613.db2.gz	BOAHLJCNLSTQQN-RYUDHWBXSA-N	-2	3	329.316	2.603	50	5		EFBAHL
Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)c1ccccc1[N+](=O)[O-]	ZINC000248060156	281702783	/nfs/dbraw/zinc/70/27/83/281702783.db2.gz	ZWUBIHQHUMOAJC-ITGUQSILSA-N	-2	3	329.316	2.603	50	5		EFBAHL
Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)c1cccc([N+](=O)[O-])c1	ZINC000102582283	219212026	/nfs/dbraw/zinc/21/20/26/219212026.db2.gz	BOAHLJCNLSTQQN-VXGBXAGGSA-N	-2	3	329.316	2.603	50	5		EFBAHL
Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)c1ccccc1[N+](=O)[O-]	ZINC000017029369	471953025	/nfs/dbraw/zinc/95/30/25/471953025.db2.gz	ZWUBIHQHUMOAJC-VXGBXAGGSA-N	-2	3	329.316	2.603	50	5		EFBAHL
Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)c1ccc([N+](=O)[O-])cc1	ZINC000102582273	219212615	/nfs/dbraw/zinc/21/26/15/219212615.db2.gz	URMHWACRBKBXAZ-VXGBXAGGSA-N	-2	3	329.316	2.603	50	5		EFBAHL