smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(CC[N+](=O)[O-])CC(=O)[O-]	1598500509	992429947	/nfs/dbraw/zinc/42/99/47/992429947.db2.gz	DIHKOSGWOCGJBL-UHFFFAOYSA-N	-1	0	162.145	-0.721	20	5		ABBDRM
O=C([O-])Cn1nccc1[N+](=O)[O-]	609257181	347017534	/nfs/dbraw/zinc/01/75/34/347017534.db2.gz	ZRBQHNBNDSIUGA-UHFFFAOYSA-N	-1	0	171.112	-0.124	20	5		ABBDRM
Cn1cc(C(=O)[O-])c(=O)c([N+](=O)[O-])c1	575442065	352205837	/nfs/dbraw/zinc/20/58/37/352205837.db2.gz	PNZMXJKCFJPWCH-UHFFFAOYSA-N	-1	0	198.134	-0.008	20	5		ABBDRM
O=C([O-])Cn1ncc([N+](=O)[O-])n1	108289780	949215904	/nfs/dbraw/zinc/21/59/04/949215904.db2.gz	DGLCHJVIVHREEW-UHFFFAOYSA-N	-1	0	172.100	-0.729	20	5		ABBDRM
O=C([O-])COC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	1595103110	951871024	/nfs/dbraw/zinc/87/10/24/951871024.db2.gz	OFCHSLGOBYYRQH-QWWZWVQMSA-N	-1	0	189.123	-0.721	20	5		ABBDRM
O=C([O-])[C@H]1CCCN1CC[N+](=O)[O-]	1595201207	952311006	/nfs/dbraw/zinc/31/10/06/952311006.db2.gz	QEBKWGYVQJGGHG-ZCFIWIBFSA-N	-1	0	188.183	-0.188	20	5		ABBDRM
O=C([O-])C(=O)Cn1cc([N+](=O)[O-])cn1	1594823127	953923395	/nfs/dbraw/zinc/92/33/95/953923395.db2.gz	DKJBHTKYBWUREK-UHFFFAOYSA-N	-1	0	199.122	-0.555	20	5		ABBDRM
O=C([O-])C(=O)Cn1ccnc1[N+](=O)[O-]	1574616956	962229645	/nfs/dbraw/zinc/22/96/45/962229645.db2.gz	UOSWHFJLWWVALI-UHFFFAOYSA-N	-1	0	199.122	-0.555	20	5		ABBDRM
O=[N+]([O-])c1cn(Cc2nnn[n-]2)cn1	1116217290	1427780403	/nfs/dbraw/zinc/78/04/03/1427780403.db2.gz	RRZYLTXPFNMKQJ-UHFFFAOYSA-N	-1	0	195.142	-0.647	20	5		ABBDRM
O=C([O-])c1cnn(CC[N+](=O)[O-])c1	1606546844	970317753	/nfs/dbraw/zinc/31/77/53/970317753.db2.gz	YKBMJEKTHHBRDD-UHFFFAOYSA-N	-1	0	185.139	-0.142	20	5		ABBDRM
O=C([O-])[C@@H](F)CNCC[N+](=O)[O-]	1602169739	1170779317	/nfs/dbraw/zinc/77/93/17/1170779317.db2.gz	LLUZFVGLDLOIKS-BYPYZUCNSA-N	-1	0	180.135	-0.725	20	5		ABBDRM
O=C([O-])[C@@H]1CCCN1CC[N+](=O)[O-]	1602174048	1170779871	/nfs/dbraw/zinc/77/98/71/1170779871.db2.gz	QEBKWGYVQJGGHG-LURJTMIESA-N	-1	0	188.183	-0.188	20	5		ABBDRM
O=C([O-])CN(CC[N+](=O)[O-])C1CC1	1608746041	1170801247	/nfs/dbraw/zinc/80/12/47/1170801247.db2.gz	JTSQQZYMJQTACC-UHFFFAOYSA-N	-1	0	188.183	-0.188	20	5		ABBDRM
Cn1nc(C(=O)[O-])c(N)c1[N+](=O)[O-]	687728111	571904704	/nfs/dbraw/zinc/90/47/04/571904704.db2.gz	JOUGZGBWMKRVGX-UHFFFAOYSA-N	-1	0	186.127	-0.391	20	5		ABBDRM
Cn1cc([N+](=O)[O-])cc(C(=O)[O-])c1=O	687808339	571924568	/nfs/dbraw/zinc/92/45/68/571924568.db2.gz	UWMWMDVRXGZAAX-UHFFFAOYSA-N	-1	0	198.134	-0.008	20	5		ABBDRM
CCN(CC[N+](=O)[O-])CC(=O)[O-]	1596347985	983800971	/nfs/dbraw/zinc/80/09/71/983800971.db2.gz	WVUSHIQAGUDGLX-UHFFFAOYSA-N	-1	0	176.172	-0.330	20	5		ABBDRM