smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCn1cc([N+](=O)[O-])c(=O)[n-]c1=O	11919399	167118441	/nfs/dbraw/zinc/11/84/41/167118441.db2.gz	DJQYDKPJTQVLCV-UHFFFAOYSA-N	-1	0	199.166	-0.145	40	5		ABBBRM
CNc1[nH]c(=O)[n-]c(=O)c1[N+](=O)[O-]	5707200	168063803	/nfs/dbraw/zinc/06/38/03/168063803.db2.gz	IJFNNWYKLVJVLY-UHFFFAOYSA-N	-1	0	186.127	-0.987	40	5		ABBBRM
COc1nc[n-]c(=NN)c1[N+](=O)[O-]	16194436	168288615	/nfs/dbraw/zinc/28/86/15/168288615.db2.gz	GUGYFWSUFJHVLF-UHFFFAOYSA-N	-1	0	185.143	-0.321	40	5		ABBBRM
Cn1ccc([O-])c([N+](=O)[O-])c1=O	257198070	169047181	/nfs/dbraw/zinc/04/71/81/169047181.db2.gz	RRJVFCWRAGAYAJ-UHFFFAOYSA-N	-1	0	170.124	-0.001	40	5		ABBBRM
Cn1nc(C(=O)[O-])nc1[N+](=O)[O-]	59922951	169061178	/nfs/dbraw/zinc/06/11/78/169061178.db2.gz	IQASREAIDLOCQH-UHFFFAOYSA-N	-1	0	172.100	-0.579	40	5		ABBBRM
Cn1nc(CC(=O)[O-])cc1[N+](=O)[O-]	72209570	169062146	/nfs/dbraw/zinc/06/21/46/169062146.db2.gz	UNTZOJKUFPMZNU-UHFFFAOYSA-N	-1	0	185.139	-0.045	40	5		ABBBRM
Cn1nc([N+](=O)[O-])nc1[N-]N=O	95116210	169062896	/nfs/dbraw/zinc/06/28/96/169062896.db2.gz	ODHSHVLJRPLHCV-UHFFFAOYSA-N	-1	0	172.104	-0.183	40	5		ABBBRM
Cn1[n-]cc([N+](=O)[O-])c(=O)c1=O	96517739	169064963	/nfs/dbraw/zinc/06/49/63/169064963.db2.gz	GDKWHJVBRXYZMF-UHFFFAOYSA-N	-1	0	171.112	-0.606	40	5		ABBBRM
NN=c1ncc([N+](=O)[O-])c[n-]1	40454245	169238904	/nfs/dbraw/zinc/23/89/04/169238904.db2.gz	RSEPTYJGRYYLIM-UHFFFAOYSA-N	-1	0	155.117	-0.330	40	5		ABBBRM
NN=c1nc[n-]cc1[N+](=O)[O-]	4086718	169240110	/nfs/dbraw/zinc/24/01/10/169240110.db2.gz	OHSZSXYJPNSOII-UHFFFAOYSA-N	-1	0	155.117	-0.330	40	5		ABBBRM
O=C([O-])c1cc[n+]([O-])cc1[N+](=O)[O-]	5240496	169357631	/nfs/dbraw/zinc/35/76/31/169357631.db2.gz	FEOVCLUGTJNLBQ-UHFFFAOYSA-N	-1	0	184.107	-0.074	40	5		ABBBRM
CN(C)c1nc(N)c([N+](=O)[O-])c(=O)[n-]1	4085880	171011401	/nfs/dbraw/zinc/01/14/01/171011401.db2.gz	UYGWQDGZISEUJO-UHFFFAOYSA-N	-1	0	199.170	-0.674	40	5		ABBBRM
O=C([O-])c1nnc2c([N+](=O)[O-])[nH][nH]c1-2	6565542	171020573	/nfs/dbraw/zinc/02/05/73/171020573.db2.gz	QQBSADNKEYRGJJ-UHFFFAOYSA-N	-1	0	197.110	-0.108	40	5		ABBBRM
CC[C@@H](CS(=O)(=O)[O-])[N+](=O)[O-]	1672842	342956547	/nfs/dbraw/zinc/95/65/47/342956547.db2.gz	UPJUQZAOTUYIMG-BYPYZUCNSA-N	-1	0	183.185	-0.071	40	5	in-vitro	ABBBRM
C[N+](C)(C)CP(=O)([O-])[O-]	1720889	342962183	/nfs/dbraw/zinc/96/21/83/342962183.db2.gz	WYKNNRXUNHJPDJ-UHFFFAOYSA-O	-1	0	154.126	-0.172	40	5		ABBBRM
CC[C@H](CS(=O)(=O)[O-])[N+](=O)[O-]	3591821	342982502	/nfs/dbraw/zinc/98/25/02/342982502.db2.gz	UPJUQZAOTUYIMG-SCSAIBSYSA-N	-1	0	183.185	-0.071	40	5	in-vitro	ABBBRM
Cc1nc(N)c([N+](=O)[O-])c(=O)[n-]1	4085834	342987153	/nfs/dbraw/zinc/98/71/53/342987153.db2.gz	LAULKXZSWRUXNC-UHFFFAOYSA-N	-1	0	170.128	-0.431	40	5		ABBBRM
Cc1nc(NN)c([N+](=O)[O-])c(=NN)[n-]1	6223661	343013340	/nfs/dbraw/zinc/01/33/40/343013340.db2.gz	ZFPAZOBBVXFTFU-UHFFFAOYSA-N	-1	0	199.174	-0.736	40	5		ABBBRM
C[C@H]([N+](=O)[O-])S(=O)[O-]	17377272	343046267	/nfs/dbraw/zinc/04/62/67/343046267.db2.gz	LBDVNDJTDSDJKE-UWTATZPHSA-N	-1	0	139.132	-0.169	40	5		ABBBRM
O=[N+]([O-])CS(=O)[O-]	103852243	343728017	/nfs/dbraw/zinc/72/80/17/343728017.db2.gz	UABSVKGIGVCONJ-UHFFFAOYSA-N	-1	0	125.105	-0.558	40	5		ABBBRM
O=c1ccc([N+](=O)[O-])c([O-])[nH]1	15767199	351379243	/nfs/dbraw/zinc/37/92/43/351379243.db2.gz	OANIJGWISUGBFS-UHFFFAOYSA-N	-1	0	156.097	-0.011	40	5		ABBBRM
C[C@@H]([N+](=O)[O-])S(=O)[O-]	17377274	351382484	/nfs/dbraw/zinc/38/24/84/351382484.db2.gz	LBDVNDJTDSDJKE-REOHCLBHSA-N	-1	0	139.132	-0.169	40	5		ABBBRM