smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)Nc1ccc([O-])cc1[N+](=O)[O-]	37162955	343161297	/nfs/dbraw/zinc/16/12/97/343161297.db2.gz	CPGHUJSTFNZIGY-UHFFFAOYSA-N	-1	3	196.206	2.121	50	5		AEBAHM
Cc1oc2ccc([O-])cc2c1[N+](=O)[O-]	4019959	169009418	/nfs/dbraw/zinc/00/94/18/169009418.db2.gz	WVEXJWIFOHUZBE-UHFFFAOYSA-N	-1	3	193.158	2.355	50	5		AEBAHM
O=[N+]([O-])c1ccc2cc([O-])ccc2c1	71256657	171106515	/nfs/dbraw/zinc/10/65/15/171106515.db2.gz	QDQYVGHTDXWLCN-UHFFFAOYSA-N	-1	3	189.170	2.454	50	5		AEBAHM
Cc1cc(Cl)c([N+](=O)[O-])cc1[O-]	34154968	343112149	/nfs/dbraw/zinc/11/21/49/343112149.db2.gz	MODINVZWKNCELC-UHFFFAOYSA-N	-1	3	187.582	2.262	50	5	in-vitro	AEBAHM
O=[N+]([O-])c1coc2ccc([O-])cc12	165391	351273266	/nfs/dbraw/zinc/27/32/66/351273266.db2.gz	ZQPBTBWGCWHIGU-UHFFFAOYSA-N	-1	3	179.131	2.047	50	5	in-vitro	AEBAHM
O=[N+]([O-])c1ccc2c(Cl)[n-]nc2c1	4877343	351334472	/nfs/dbraw/zinc/33/44/72/351334472.db2.gz	IBTQINLHMGQUJU-UHFFFAOYSA-N	-1	3	197.581	2.125	50	5	in-vitro	AEBAHM
O=[N+]([O-])c1ccc2c(Cl)n[n-]c2c1	4877343	351334476	/nfs/dbraw/zinc/33/44/76/351334476.db2.gz	IBTQINLHMGQUJU-UHFFFAOYSA-N	-1	3	197.581	2.125	50	5	in-vitro	AEBAHM
O=[N+]([O-])c1ccc2nc(Cl)[n-]c2c1	8729711	351358681	/nfs/dbraw/zinc/35/86/81/351358681.db2.gz	GWSMACGSFHRVFA-UHFFFAOYSA-N	-1	3	197.581	2.125	50	5	in-vitro	AEBAHM
O=[N+]([O-])c1ccc2[n-]c(Cl)nc2c1	8729711	351358685	/nfs/dbraw/zinc/35/86/85/351358685.db2.gz	GWSMACGSFHRVFA-UHFFFAOYSA-N	-1	3	197.581	2.125	50	5	in-vitro	AEBAHM
O=[N+]([O-])c1cccc2n[n-]c(Cl)c12	14985937	351376794	/nfs/dbraw/zinc/37/67/94/351376794.db2.gz	GUGAGLJJSMABRQ-UHFFFAOYSA-N	-1	3	197.581	2.125	50	5	in-vitro	AEBAHM
O=[N+]([O-])c1cccc2[n-]nc(Cl)c12	14985937	351376802	/nfs/dbraw/zinc/37/68/02/351376802.db2.gz	GUGAGLJJSMABRQ-UHFFFAOYSA-N	-1	3	197.581	2.125	50	5	in-vitro	AEBAHM