smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(Cl)cc([N+](=O)[O-])c1O	37263073	168759394	/nfs/dbraw/zinc/75/93/94/168759394.db2.gz	AQCYSHAXKXQEFZ-UHFFFAOYSA-N	0	2	187.582	2.262	50	5	in-vitro	AEBALN
Cc1cc([N+](=O)[O-])c(O)cc1Cl	34089383	168783212	/nfs/dbraw/zinc/78/32/12/168783212.db2.gz	SETJTGJUNMPFCU-UHFFFAOYSA-N	0	2	187.582	2.262	50	5		AEBALN
Cc1cc([N+](=O)[O-])cc(Cl)c1O	35575511	168785306	/nfs/dbraw/zinc/78/53/06/168785306.db2.gz	KORZLRSUPBWADT-UHFFFAOYSA-N	0	2	187.582	2.262	50	5		AEBALN
O=[N+]([O-])c1ccc2ccccc2c1O	35052388	171058158	/nfs/dbraw/zinc/05/81/58/171058158.db2.gz	MUCCHGOWMZTLHK-UHFFFAOYSA-N	0	2	189.170	2.454	50	5	in-vitro	AEBALN
O=[N+]([O-])c1c(O)ccc2ccccc12	36377924	171060935	/nfs/dbraw/zinc/06/09/35/171060935.db2.gz	SSHIVHKMGVBXTJ-UHFFFAOYSA-N	0	2	189.170	2.454	50	5	in-vitro	AEBALN
O=[N+]([O-])c1cc(O)c(F)cc1Cl	59685133	171101437	/nfs/dbraw/zinc/10/14/37/171101437.db2.gz	DIIWMWNVGLVEFJ-UHFFFAOYSA-N	0	2	191.545	2.093	50	5		AEBALN
Cc1ccc(O)c([N+](=O)[O-])c1Cl	169725146	344351753	/nfs/dbraw/zinc/35/17/53/344351753.db2.gz	VCBOOMGORINFOQ-UHFFFAOYSA-N	0	2	187.582	2.262	50	5		AEBALN
O=[N+]([O-])c1cc(O)c(Cl)cc1F	167398	342930829	/nfs/dbraw/zinc/93/08/29/342930829.db2.gz	NAWVMCKMQMJQMF-UHFFFAOYSA-N	0	2	191.545	2.093	50	5		AEBALN
Cc1cc(O)c([N+](=O)[O-])cc1Cl	35799625	343139751	/nfs/dbraw/zinc/13/97/51/343139751.db2.gz	JBMGJOKJUYGIJH-UHFFFAOYSA-N	0	2	187.582	2.262	50	5		AEBALN
CCc1cc([N+](=O)[O-])c(O)cc1F	95080317	343679636	/nfs/dbraw/zinc/67/96/36/343679636.db2.gz	LKVUTLLMYSLBCI-UHFFFAOYSA-N	0	2	185.154	2.002	50	5	in-vitro	AEBALN
CC(C)Oc1ccc([N+](=O)[O-])c(O)c1	169725144	344351711	/nfs/dbraw/zinc/35/17/11/344351711.db2.gz	FTVBULCXIBJLDX-UHFFFAOYSA-N	0	2	197.190	2.088	50	5		AEBALN
O=[N+]([O-])c1cc(O)c(F)c(Cl)c1	306603375	345479286	/nfs/dbraw/zinc/47/92/86/345479286.db2.gz	MLMASDVKWUWQEW-UHFFFAOYSA-N	0	2	191.545	2.093	50	5		AEBALN
O=[N+]([O-])c1ccc(O)c2ccccc12	35193837	351449635	/nfs/dbraw/zinc/44/96/35/351449635.db2.gz	AUIRNGLMBHIITH-UHFFFAOYSA-N	0	2	189.170	2.454	50	5	in-vitro	AEBALN