smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(N[C@@H]1CCOC[C@H]1O)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000600839104	355568636	/nfs/dbraw/zinc/56/86/36/355568636.db2.gz	HMMAHXJUMUETSV-RKDXNWHRSA-N	-1	1	283.240	-0.425	10	5		CBBEMM
O=C(N[C@@H]1CCOC[C@@H]1O)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000600839099	355568811	/nfs/dbraw/zinc/56/88/11/355568811.db2.gz	HMMAHXJUMUETSV-BDAKNGLRSA-N	-1	1	283.240	-0.425	10	5		CBBEMM
O=C(NCC1CC(O)C1)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000091415675	351744912	/nfs/dbraw/zinc/74/49/12/351744912.db2.gz	YLHGODUINRKJSE-UHFFFAOYSA-N	-1	1	267.241	-0.216	10	5		CBBEMM
O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCO[C@@H](CO)C1	ZINC000167510341	351989450	/nfs/dbraw/zinc/98/94/50/351989450.db2.gz	KKEFFQIHTFGAJT-MRVPVSSYSA-N	-1	1	283.240	-0.471	10	5		CBBEMM
O=C(N[C@H]1CCOC[C@H]1O)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000600839102	355568531	/nfs/dbraw/zinc/56/85/31/355568531.db2.gz	HMMAHXJUMUETSV-DTWKUNHWSA-N	-1	1	283.240	-0.425	10	5		CBBEMM
O=C(N[C@H]1CCOC[C@@H]1O)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000600839103	355568805	/nfs/dbraw/zinc/56/88/05/355568805.db2.gz	HMMAHXJUMUETSV-IUCAKERBSA-N	-1	1	283.240	-0.425	10	5		CBBEMM
CC(C)(CO)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000035608000	172293844	/nfs/dbraw/zinc/29/38/44/172293844.db2.gz	QWVAJXMHAOPALG-UHFFFAOYSA-N	-1	1	255.230	-0.216	10	5		CBBEMM
O=c1[n-]cnc(NCCN2CCOCC2)c1[N+](=O)[O-]	ZINC000040659862	174365714	/nfs/dbraw/zinc/36/57/14/174365714.db2.gz	JTRDRKOQWNCDSY-UHFFFAOYSA-N	-1	1	269.261	-0.578	10	5		CBBEMM
O=[N+]([O-])c1ccc([O-])c(N[C@H]2CS(=O)(=O)C[C@H]2O)c1	ZINC000028615169	351371046	/nfs/dbraw/zinc/37/10/46/351371046.db2.gz	XIIYQSYSGHBCMZ-WCBMZHEXSA-N	-1	1	288.281	-0.130	10	5		CBBEMM
COC(=O)CN(C)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000035176984	172029798	/nfs/dbraw/zinc/02/97/98/172029798.db2.gz	YUNNNROGNZTYBA-UHFFFAOYSA-N	-1	1	269.213	-0.472	10	5		CBBEMM
COCCN(CCOC)c1nc[n-]c(=O)c1[N+](=O)[O-]	ZINC000040618341	174354225	/nfs/dbraw/zinc/35/42/25/174354225.db2.gz	UBYDJTNBYJZVKH-UHFFFAOYSA-N	-1	1	272.261	-0.223	10	5		CBBEMM
C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)C(N)=O	ZINC000341111485	353201967	/nfs/dbraw/zinc/20/19/67/353201967.db2.gz	WYUCTPBUOVVXEL-SCSAIBSYSA-N	-1	1	254.202	-0.701	10	5		CBBEMM
Cn1cnc([N+](=O)[O-])c1N1CCN(CC(=O)[O-])CC1	ZINC000035680469	172351233	/nfs/dbraw/zinc/35/12/33/172351233.db2.gz	JBQDDBJCDWMQKF-UHFFFAOYSA-N	-1	1	269.261	-0.465	10	5		CBBEMM
O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCO[C@H](CO)C1	ZINC000167510216	351989698	/nfs/dbraw/zinc/98/96/98/351989698.db2.gz	KKEFFQIHTFGAJT-QMMMGPOBSA-N	-1	1	283.240	-0.471	10	5		CBBEMM
O=C(N[C@@H]1CCNC1=O)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000598746157	355452533	/nfs/dbraw/zinc/45/25/33/355452533.db2.gz	NVIJGVAMNDANFH-SSDOTTSWSA-N	-1	1	266.213	-0.686	10	5		CBBEMM
C[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)C(N)=O	ZINC000341111479	353201588	/nfs/dbraw/zinc/20/15/88/353201588.db2.gz	WYUCTPBUOVVXEL-BYPYZUCNSA-N	-1	1	254.202	-0.701	10	5		CBBEMM
N[C@H](CS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000006322348	170191568	/nfs/dbraw/zinc/19/15/68/170191568.db2.gz	NDGWMNVGXXMEAE-MRVPVSSYSA-N	-1	1	274.254	-0.220	10	5		CBBEMM