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)c1ccc(Cl)cc1[N+](=O)[O-]	33606646	573509589	/nfs/dbraw/zinc/50/95/89/573509589.db2.gz	AOTRFBGCYAXAPY-UHFFFAOYSA-N	0	0	199.637	3.372	40	5		AGBBRN
CC(C)c1ccc([N+](=O)[O-])cc1Cl	35940147	166634382	/nfs/dbraw/zinc/63/43/82/166634382.db2.gz	SLMAPOBCEMOCRB-UHFFFAOYSA-N	0	0	199.637	3.372	40	5		AGBBRN
CCCCC(CCCC)[N+](=O)[O-]	1577835	166845276	/nfs/dbraw/zinc/84/52/76/166845276.db2.gz	MBYBDERQJISYFN-UHFFFAOYSA-N	0	0	173.256	3.012	40	5		AGBBRN
Cc1ccc(C(C)C)c([N+](=O)[O-])c1	1609928	168803212	/nfs/dbraw/zinc/80/32/12/168803212.db2.gz	CUZSBBKOVCAUGC-UHFFFAOYSA-N	0	0	179.219	3.027	40	5		AGBBRN
Cc1ccc2ccc([N+](=O)[O-])cc2c1	6071520	168855754	/nfs/dbraw/zinc/85/57/54/168855754.db2.gz	XJUSCPOBHFZRKU-UHFFFAOYSA-N	0	0	187.198	3.056	40	5		AGBBRN
Cc1csc2ccc([N+](=O)[O-])cc12	1701067	168921890	/nfs/dbraw/zinc/92/18/90/168921890.db2.gz	ZHFCNWVBMJIBPC-UHFFFAOYSA-N	0	0	193.227	3.118	40	5		AGBBRN
Oc1cccc2c1ncc1ccccc12	16545112	169459016	/nfs/dbraw/zinc/45/90/16/169459016.db2.gz	XXCLAJNAENJKLS-UHFFFAOYSA-N	0	0	195.221	3.094	40	5		AGBBRN
O=c1cccc2[nH]c3ccccc3cc1-2	4429090	169459555	/nfs/dbraw/zinc/45/95/55/169459555.db2.gz	XIVOUNPJCNJBPR-UHFFFAOYSA-N	0	0	195.221	3.094	40	5		AGBBRN
O=[N+]([O-])/C=C/c1ccc2ccccc2c1	1703289	171001251	/nfs/dbraw/zinc/00/12/51/171001251.db2.gz	FSQRAMKGHLSZCT-BQYQJAHWSA-N	0	0	199.209	3.087	40	5		AGBBRN
Cc1c([N+](=O)[O-])ccc2ccccc12	1564649	342947865	/nfs/dbraw/zinc/94/78/65/342947865.db2.gz	PZVVTJCDVSSMPC-UHFFFAOYSA-N	0	0	187.198	3.056	40	5		AGBBRN
CCC(C)(C)c1ccc([N+](=O)[O-])cc1	1687000	342958264	/nfs/dbraw/zinc/95/82/64/342958264.db2.gz	LLLHRFJRKDQEIY-UHFFFAOYSA-N	0	0	193.246	3.282	40	5		AGBBRN
Cc1c([N+](=O)[O-])sc2ccccc12	1700968	342960164	/nfs/dbraw/zinc/96/01/64/342960164.db2.gz	MGHQQPWSCOIVIE-UHFFFAOYSA-N	0	0	193.227	3.118	40	5		AGBBRN
Cc1cc([N+](=O)[O-])c2ccccc2c1	5046278	342998410	/nfs/dbraw/zinc/99/84/10/342998410.db2.gz	HKMFJWNUOWBRGF-UHFFFAOYSA-N	0	0	187.198	3.056	40	5		AGBBRN
Cc1cccc2cc([N+](=O)[O-])ccc12	5782756	343008227	/nfs/dbraw/zinc/00/82/27/343008227.db2.gz	SOXBGESONWKYDX-UHFFFAOYSA-N	0	0	187.198	3.056	40	5		AGBBRN
Cc1cccc2ccc([N+](=O)[O-])cc12	5782748	343008319	/nfs/dbraw/zinc/00/83/19/343008319.db2.gz	YAXWLSIDOXNUDW-UHFFFAOYSA-N	0	0	187.198	3.056	40	5		AGBBRN
Cc1ccc2cccc([N+](=O)[O-])c2c1	5782202	343008402	/nfs/dbraw/zinc/00/84/02/343008402.db2.gz	LESPVCCNFIVLGV-UHFFFAOYSA-N	0	0	187.198	3.056	40	5		AGBBRN
Cc1ccc2cc([N+](=O)[O-])ccc2c1	6071481	343012427	/nfs/dbraw/zinc/01/24/27/343012427.db2.gz	STVPPZVCZQZHLW-UHFFFAOYSA-N	0	0	187.198	3.056	40	5		AGBBRN
Cc1cc([N+](=O)[O-])cc2ccccc12	6070032	343012431	/nfs/dbraw/zinc/01/24/31/343012431.db2.gz	ZHWLZNWJMCOUIZ-UHFFFAOYSA-N	0	0	187.198	3.056	40	5		AGBBRN
Cc1cccc2cccc([N+](=O)[O-])c12	6071789	343012777	/nfs/dbraw/zinc/01/27/77/343012777.db2.gz	VQUZPUQZUDSQJM-UHFFFAOYSA-N	0	0	187.198	3.056	40	5		AGBBRN
Cc1ccc(C(C)(C)C)cc1[N+](=O)[O-]	19872718	343062719	/nfs/dbraw/zinc/06/27/19/343062719.db2.gz	HRVZKMAFMMNKGU-UHFFFAOYSA-N	0	0	193.246	3.201	40	5		AGBBRN
Cc1cc([N+](=O)[O-])cc(C(C)C)c1C	37594065	343172433	/nfs/dbraw/zinc/17/24/33/343172433.db2.gz	LWXYRCYAGNMAMJ-UHFFFAOYSA-N	0	0	193.246	3.335	40	5		AGBBRN
c1ccc2cc3ncccc3cc2c1	1508114	351286319	/nfs/dbraw/zinc/28/63/19/351286319.db2.gz	RFQDDXWZZVRLKO-UHFFFAOYSA-N	0	0	179.222	3.388	40	5		AGBBRN
c1ccc2nc3ccccc3c-2cc1	1698841	351296112	/nfs/dbraw/zinc/29/61/12/351296112.db2.gz	BOLFFYUDEVMACE-UHFFFAOYSA-N	0	0	179.222	3.340	40	5		AGBBRN
c1ccc2c(c1)ccc1cnccc12	6118574	351350438	/nfs/dbraw/zinc/35/04/38/351350438.db2.gz	JQXCGCPMGZBMLE-UHFFFAOYSA-N	0	0	179.222	3.388	40	5		AGBBRN