smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1cnc2[nH]cnc2c1Cl	238563019	573893813	/nfs/dbraw/zinc/89/38/13/573893813.db2.gz	VMLHAIMBBCKLIF-UHFFFAOYSA-N	0	1	198.569	1.520	40	5		ADBBMN
CC(=O)c1cc([N+](=O)[O-])c(C)cc1O	88325204	573114427	/nfs/dbraw/zinc/11/44/27/573114427.db2.gz	FCBMJSQEZYLSAM-UHFFFAOYSA-N	0	1	195.174	1.811	40	5		ADBBMN
CC(C)(C)c1ncc([N+](=O)[O-])c(=O)[nH]1	26460989	166388401	/nfs/dbraw/zinc/38/84/01/166388401.db2.gz	KBNPNZBKJDZGBK-UHFFFAOYSA-N	0	1	197.194	1.388	40	5		ADBBMN
CNc1cc(O)ccc1[N+](=O)[O-]	31429966	168064921	/nfs/dbraw/zinc/06/49/21/168064921.db2.gz	RLGZWWJLIPEADI-UHFFFAOYSA-N	0	1	168.152	1.342	40	5		ADBBMN
COc1cc([N+](=O)[O-])c2cn[nH]c2c1	42689504	168240496	/nfs/dbraw/zinc/24/04/96/168240496.db2.gz	ACUQZJBBTADFHU-UHFFFAOYSA-N	0	1	193.162	1.480	40	5	in-vitro	ADBBMN
COc1ccc([N+](=O)[O-])c(O)c1OC	35193458	168260515	/nfs/dbraw/zinc/26/05/15/168260515.db2.gz	IAEIRTLIYHCYRE-UHFFFAOYSA-N	0	1	199.162	1.318	40	5		ADBBMN
Nc1cc([N+](=O)[O-])c(F)cc1O	258830394	169286738	/nfs/dbraw/zinc/28/67/38/169286738.db2.gz	FXJPJHWARSJNGF-UHFFFAOYSA-N	0	1	172.115	1.022	40	5		ADBBMN
Nc1cc([N+](=O)[O-])cc(F)c1O	39128319	169288716	/nfs/dbraw/zinc/28/87/16/169288716.db2.gz	IEUSTEIALPMDEF-UHFFFAOYSA-N	0	1	172.115	1.022	40	5		ADBBMN
O=C1COc2c1cccc2[N+](=O)[O-]	22116508	169379539	/nfs/dbraw/zinc/37/95/39/169379539.db2.gz	JXPZMKPGHINWQC-UHFFFAOYSA-N	0	1	179.131	1.170	40	5		ADBBMN
O=[N+]([O-])c1c[nH]c2nc[nH]c(=S)c12	18205609	171032713	/nfs/dbraw/zinc/03/27/13/171032713.db2.gz	ZMAIWNXBVJHOHB-UHFFFAOYSA-N	0	1	196.191	1.529	40	5		ADBBMN
O=[N+]([O-])c1c(F)ccc2[nH]cnc12	45238454	171122703	/nfs/dbraw/zinc/12/27/03/171122703.db2.gz	FDHMCFQJSGRRDR-UHFFFAOYSA-N	0	1	181.126	1.610	40	5		ADBBMN
CN1CCc2cc([N+](=O)[O-])ccc2C1	218744248	344415726	/nfs/dbraw/zinc/41/57/26/344415726.db2.gz	LXNOPQKFWGOYFU-UHFFFAOYSA-N	0	1	192.218	1.583	40	5		ADBBMN
CCc1nc(C)cc([N+](=O)[O-])c1O	251359	342932362	/nfs/dbraw/zinc/93/23/62/342932362.db2.gz	AOPOHYLIRQCTTL-UHFFFAOYSA-N	0	1	182.179	1.566	40	5		ADBBMN
CN(C)Cc1ccccc1[N+](=O)[O-]	1716744	342961584	/nfs/dbraw/zinc/96/15/84/342961584.db2.gz	FCAMUPIRWKNASD-UHFFFAOYSA-N	0	1	180.207	1.656	40	5		ADBBMN
Cc1c([N+](=O)[O-])cc(O)cc1[N+](=O)[O-]	32130297	343097676	/nfs/dbraw/zinc/09/76/76/343097676.db2.gz	HTAMNOAYOHLVPQ-UHFFFAOYSA-N	0	1	198.134	1.517	40	5		ADBBMN
Cc1cc([N+](=O)[O-])c2n[nH]cc2c1	34223952	343114261	/nfs/dbraw/zinc/11/42/61/343114261.db2.gz	NCAQVEMIIHGGDM-UHFFFAOYSA-N	0	1	177.163	1.780	40	5	in-vitro	ADBBMN
Cc1nc(Cl)c([N+](=O)[O-])c(=O)[nH]1	38540829	343189529	/nfs/dbraw/zinc/18/95/29/343189529.db2.gz	JQKZPYLOKMRABP-UHFFFAOYSA-N	0	1	189.558	1.052	40	5		ADBBMN
Cc1ccc([N+](=O)[O-])c(O)c1C	39133579	343203254	/nfs/dbraw/zinc/20/32/54/343203254.db2.gz	KXWOAPZXQJGYPU-UHFFFAOYSA-N	0	1	167.164	1.917	40	5		ADBBMN
O=[N+]([O-])c1c(O)cnc2[nH]ccc12	44712775	343268420	/nfs/dbraw/zinc/26/84/20/343268420.db2.gz	NGWVNUXLIKFJBM-UHFFFAOYSA-N	0	1	179.135	1.177	40	5		ADBBMN
Cc1c(NCN)cccc1[N+](=O)[O-]	199570828	344361289	/nfs/dbraw/zinc/36/12/89/344361289.db2.gz	ITJHUTSAELKURW-UHFFFAOYSA-N	0	1	181.195	1.231	40	5		ADBBMN
O=[N+]([O-])c1cccc2[n-][s+]nc12	5218067	351340736	/nfs/dbraw/zinc/34/07/36/351340736.db2.gz	KINGGQSTKQRGEE-UHFFFAOYSA-N	0	1	182.184	1.814	40	5		ADBBMN
O=c1[nH]oc2ccc([N+](=O)[O-])cc12	14980233	351375918	/nfs/dbraw/zinc/37/59/18/351375918.db2.gz	NPKARQNMFDJQQO-UHFFFAOYSA-N	0	1	180.119	1.442	40	5		ADBBMN
O=[N+]([O-])c1cccc(-c2cn[nH]n2)c1	16399933	351380393	/nfs/dbraw/zinc/38/03/93/351380393.db2.gz	NZVNNAOFCPPGGI-UHFFFAOYSA-N	0	1	190.162	1.380	40	5		ADBBMN
O=Cc1cnc2[nH]ccc([N+](=O)[O-])c1-2	16678080	351380625	/nfs/dbraw/zinc/38/06/25/351380625.db2.gz	QHIWEPWOESELKM-UHFFFAOYSA-N	0	1	191.146	1.284	40	5		ADBBMN
O=Cc1cnc2[nH]cc([N+](=O)[O-])cc1-2	44712791	351539898	/nfs/dbraw/zinc/53/98/98/351539898.db2.gz	HFIXKNUMEZNIIT-UHFFFAOYSA-N	0	1	191.146	1.284	40	5		ADBBMN