smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000049090938	419448926	/nfs/dbraw/zinc/44/89/26/419448926.db2.gz	KJNJSRXSYXDJDO-XAVMHZPKSA-N	0	1	255.274	-0.236	50	5		CBBAMN
C[C@]1(NC(=O)[C@H]2CC2[N+](=O)[O-])CCS(=O)(=O)C1	ZINC000044311571	175162653	/nfs/dbraw/zinc/16/26/53/175162653.db2.gz	MECJKCMYUJIVKM-ZKWXMUAHSA-N	0	1	262.287	-0.655	50	5		CBBAMN
C[C@]1(NC(=O)[C@H]2CC2[N+](=O)[O-])CCS(=O)(=O)C1	ZINC000106096399	186101637	/nfs/dbraw/zinc/10/16/37/186101637.db2.gz	MECJKCMYUJIVKM-OOZYFLPDSA-N	0	1	262.287	-0.655	50	5		CBBAMN
O=C(Cn1cc(Cl)c([N+](=O)[O-])n1)N1CCNCC1	ZINC000019957681	351352980	/nfs/dbraw/zinc/35/29/80/351352980.db2.gz	UTWWSSASUSXVAN-UHFFFAOYSA-N	0	1	273.680	-0.124	50	5		CBBAMN
C[C@]1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCS(=O)(=O)C1	ZINC000044311569	175162632	/nfs/dbraw/zinc/16/26/32/175162632.db2.gz	MECJKCMYUJIVKM-FJXKBIBVSA-N	0	1	262.287	-0.655	50	5		CBBAMN
C[N+](C)(C)CCO[P@](=O)([O-])OC[C@H](O)CO	ZINC000001532714	351304176	/nfs/dbraw/zinc/30/41/76/351304176.db2.gz	SUHOQUVVVLNYQR-MRVPVSSYSA-O	0	1	258.231	-0.821	50	5	investigational,metabolite	CBBAMN
Cc1cc(C)n(CCn2cc([N+](=O)[O-])c(=O)[nH]c2=O)n1	ZINC000096416338	419474929	/nfs/dbraw/zinc/47/49/29/419474929.db2.gz	XGFOOZZNJVEBDW-UHFFFAOYSA-N	0	1	279.256	-0.042	50	5		CBBAMN
C[C@]1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCS(=O)(=O)C1	ZINC000106096396	186101490	/nfs/dbraw/zinc/10/14/90/186101490.db2.gz	MECJKCMYUJIVKM-BHNWBGBOSA-N	0	1	262.287	-0.655	50	5		CBBAMN
CNC(=O)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1	ZINC000044943934	175282756	/nfs/dbraw/zinc/28/27/56/175282756.db2.gz	POYZSLCLYGOHBN-BDAKNGLRSA-N	0	1	255.274	-0.364	50	5		CBBAMN
CCOC(=O)CN(C)c1nc(N(C)C)[nH]c(=O)c1[N+](=O)[O-]	ZINC000006564636	351325652	/nfs/dbraw/zinc/32/56/52/351325652.db2.gz	OPEGWKCREYSGMB-UHFFFAOYSA-N	0	1	299.287	-0.257	50	5		CBBAMN
C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)[C@H]1CC1[N+](=O)[O-]	ZINC000248086427	352350405	/nfs/dbraw/zinc/35/04/05/352350405.db2.gz	KJNJSRXSYXDJDO-RYPBNFRJSA-N	0	1	255.274	-0.236	50	5		CBBAMN
C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)[C@H]1CC1[N+](=O)[O-]	ZINC000248086430	352350437	/nfs/dbraw/zinc/35/04/37/352350437.db2.gz	KJNJSRXSYXDJDO-XGEHTFHBSA-N	0	1	255.274	-0.236	50	5		CBBAMN
CNC(=O)C1CCN(C(=O)[C@H]2CC2[N+](=O)[O-])CC1	ZINC000044943937	175282626	/nfs/dbraw/zinc/28/26/26/175282626.db2.gz	POYZSLCLYGOHBN-IUCAKERBSA-N	0	1	255.274	-0.364	50	5		CBBAMN
O=C([O-])C[N@H+]1C[C@@]2([N+](=O)[O-])C=CC[C@@]([N+](=O)[O-])(C1)C2	ZINC000002025053	304068140	/nfs/dbraw/zinc/06/81/40/304068140.db2.gz	VIEUWZGHQLHPEB-ZJUUUORDSA-N	0	1	271.229	-0.232	50	5		CBBAMN
O=C([O-])C[N@@H+]1C[C@@]2([N+](=O)[O-])C=CC[C@@]([N+](=O)[O-])(C1)C2	ZINC000002025053	304068143	/nfs/dbraw/zinc/06/81/43/304068143.db2.gz	VIEUWZGHQLHPEB-ZJUUUORDSA-N	0	1	271.229	-0.232	50	5		CBBAMN
C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000248086379	352350456	/nfs/dbraw/zinc/35/04/56/352350456.db2.gz	KJNJSRXSYXDJDO-BZNPZCIMSA-N	0	1	255.274	-0.236	50	5		CBBAMN
O=C(NCCn1cc([N+](=O)[O-])cn1)c1n[nH]cc1[N+](=O)[O-]	ZINC000013959803	351339476	/nfs/dbraw/zinc/33/94/76/351339476.db2.gz	KPMDDZFATGWRGM-UHFFFAOYSA-N	0	1	295.215	-0.147	50	5		CBBAMN
C[NH+]1CCN(N=c2nc(N)c([N+](=O)[O-])c[n-]2)CC1	ZINC000070644117	372766123	/nfs/dbraw/zinc/76/61/23/372766123.db2.gz	OULKCWSFLLVJSQ-UHFFFAOYSA-N	0	1	253.266	-0.459	50	5		CBBAMN
CNC(=O)C1CCN(C(=O)[C@H]2CC2[N+](=O)[O-])CC1	ZINC000044943944	175282854	/nfs/dbraw/zinc/28/28/54/175282854.db2.gz	POYZSLCLYGOHBN-DTWKUNHWSA-N	0	1	255.274	-0.364	50	5		CBBAMN
CNC(=O)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1	ZINC000044943941	175282884	/nfs/dbraw/zinc/28/28/84/175282884.db2.gz	POYZSLCLYGOHBN-RKDXNWHRSA-N	0	1	255.274	-0.364	50	5		CBBAMN
Cc1nc2nc(N=[N+](O)O)[n-]n2c(=O)c1[N+](=O)[O-]	ZINC000003160298	351312984	/nfs/dbraw/zinc/31/29/84/351312984.db2.gz	WYCVARKLYDDDHA-UHFFFAOYSA-N	0	1	255.150	-0.350	50	5		CBBAMN