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-])c1ccc([O-])c2c1CCCC2	230614597	573288379	/nfs/dbraw/zinc/28/83/79/573288379.db2.gz	GIMKNXMOFYSDLP-UHFFFAOYSA-N	-1	1	193.202	2.179	10	5		AEBEMM
CSc1cc([O-])cc([N+](=O)[O-])c1	238408326	573492340	/nfs/dbraw/zinc/49/23/40/573492340.db2.gz	NOHKTNQLZKYTPG-UHFFFAOYSA-N	-1	1	185.204	2.022	10	5		AEBEMM
CSc1ccc([N+](=O)[O-])cc1[O-]	140099012	571993955	/nfs/dbraw/zinc/99/39/55/571993955.db2.gz	OSTIERIVMFVGIW-UHFFFAOYSA-N	-1	1	185.204	2.022	10	5		AEBEMM
CSCc1ccc([N+](=O)[O-])cc1[O-]	196337153	572327137	/nfs/dbraw/zinc/32/71/37/572327137.db2.gz	NNYZCMMERVTBIQ-UHFFFAOYSA-N	-1	1	199.231	2.163	10	5		AEBEMM
CSCc1c([O-])cccc1[N+](=O)[O-]	196337133	572328622	/nfs/dbraw/zinc/32/86/22/572328622.db2.gz	DKTWQVBKAUBSOF-UHFFFAOYSA-N	-1	1	199.231	2.163	10	5		AEBEMM
O=[N+]([O-])c1ccc([O-])c(C2CC2)c1	116449823	572685532	/nfs/dbraw/zinc/68/55/32/572685532.db2.gz	WHWXPAICHYDDJI-UHFFFAOYSA-N	-1	1	179.175	2.178	10	5		AEBEMM
Cc1cc([N+](=O)[O-])c(C)c(C)c1[O-]	88120873	573066743	/nfs/dbraw/zinc/06/67/43/573066743.db2.gz	NKOCMNXLDSIDQC-UHFFFAOYSA-N	-1	1	181.191	2.226	10	5		AEBEMM
CCSc1cc([O-])cc([N+](=O)[O-])c1	238298166	573165287	/nfs/dbraw/zinc/16/52/87/573165287.db2.gz	MTRCLGFPTZJEBV-UHFFFAOYSA-N	-1	1	199.231	2.412	10	5		AEBEMM
CCCNc1cc([N+](=O)[O-])ccc1[O-]	83342463	167004727	/nfs/dbraw/zinc/00/47/27/167004727.db2.gz	HPDOCIAGFMARCR-UHFFFAOYSA-N	-1	1	196.206	2.122	10	5		AEBEMM
O=[N+]([O-])c1nc2cc(Cl)ccc2[n-]1	95850852	171139843	/nfs/dbraw/zinc/13/98/43/171139843.db2.gz	QJTAHJHXUORZQK-UHFFFAOYSA-N	-1	1	197.581	2.125	10	5		AEBEMM
O=[N+]([O-])c1cc2c([O-])cccc2o1	205433662	171174846	/nfs/dbraw/zinc/17/48/46/171174846.db2.gz	OAKWOXQUACOWHQ-UHFFFAOYSA-N	-1	1	179.131	2.047	10	5		AEBEMM
CCc1cc([N+](=O)[O-])cc(CC)c1[O-]	19800869	343060767	/nfs/dbraw/zinc/06/07/67/343060767.db2.gz	SAQPBBOTCDDZJQ-UHFFFAOYSA-N	-1	1	195.218	2.425	10	5		AEBEMM
CC(C)Oc1cc([N+](=O)[O-])ccc1[O-]	34559272	343121843	/nfs/dbraw/zinc/12/18/43/343121843.db2.gz	MNYCZIHKCOPYPG-UHFFFAOYSA-N	-1	1	197.190	2.088	10	5		AEBEMM
CCOc1cc([N+](=O)[O-])cc(C)c1[O-]	39615314	343213196	/nfs/dbraw/zinc/21/31/96/343213196.db2.gz	AGMWFSJXORESHV-UHFFFAOYSA-N	-1	1	197.190	2.008	10	5		AEBEMM
CCCOc1cc([N+](=O)[O-])ccc1[O-]	165044530	344257673	/nfs/dbraw/zinc/25/76/73/344257673.db2.gz	ZLIUCKSKAZKFLO-UHFFFAOYSA-N	-1	1	197.190	2.089	10	5		AEBEMM
CCc1cc([N+](=O)[O-])cc(C)c1[O-]	167437713	344305486	/nfs/dbraw/zinc/30/54/86/344305486.db2.gz	DXTTWDHEGMTDIC-UHFFFAOYSA-N	-1	1	181.191	2.171	10	5		AEBEMM
O=[N+]([O-])c1cc([O-])cc(C(F)F)c1	238673228	344818172	/nfs/dbraw/zinc/81/81/72/344818172.db2.gz	VKFAVZDGPVJKRE-UHFFFAOYSA-N	-1	1	189.117	2.238	10	5		AEBEMM
Cc1cc([O-])cc([N+](=O)[O-])c1Cl	306711939	345564590	/nfs/dbraw/zinc/56/45/90/345564590.db2.gz	YEGXZFZRKWAXJT-UHFFFAOYSA-N	-1	1	187.582	2.262	10	5		AEBEMM
Cc1c([O-])cc([N+](=O)[O-])cc1Cl	307018871	345756743	/nfs/dbraw/zinc/75/67/43/345756743.db2.gz	XQWYVSFMXIRITD-UHFFFAOYSA-N	-1	1	187.582	2.262	10	5		AEBEMM
Cc1c(Cl)cc([O-])cc1[N+](=O)[O-]	307627764	346156464	/nfs/dbraw/zinc/15/64/64/346156464.db2.gz	RXZZXVQQBWEQSZ-UHFFFAOYSA-N	-1	1	187.582	2.262	10	5		AEBEMM
CSCc1cc([O-])cc([N+](=O)[O-])c1	584648469	346742082	/nfs/dbraw/zinc/74/20/82/346742082.db2.gz	HAXAWANHJFJCBG-UHFFFAOYSA-N	-1	1	199.231	2.163	10	5		AEBEMM
CCOc1cc([O-])c(C)cc1[N+](=O)[O-]	575698706	352889290	/nfs/dbraw/zinc/88/92/90/352889290.db2.gz	FTNDWGWGNGTRAI-UHFFFAOYSA-N	-1	1	197.190	2.008	10	5		AEBEMM
CCOc1cc([N+](=O)[O-])c(C)cc1[O-]	575698658	352889355	/nfs/dbraw/zinc/88/93/55/352889355.db2.gz	CMAUKDFOAMYDFU-UHFFFAOYSA-N	-1	1	197.190	2.008	10	5		AEBEMM
CCOc1cc(C)cc([N+](=O)[O-])c1[O-]	575699927	352889496	/nfs/dbraw/zinc/88/94/96/352889496.db2.gz	YOUYTBSAKUFXTO-UHFFFAOYSA-N	-1	1	197.190	2.008	10	5		AEBEMM
CCOc1cc(C)c([O-])c([N+](=O)[O-])c1	575698962	352889863	/nfs/dbraw/zinc/88/98/63/352889863.db2.gz	OZXKOWYGRNZXLJ-UHFFFAOYSA-N	-1	1	197.190	2.008	10	5		AEBEMM