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(Cn1ccc([N+](=O)[O-])n1)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1	ZINC000831567127	583374183	/nfs/dbraw/zinc/37/41/83/583374183.db2.gz	CFDJUGIQAHVSKT-SSDOTTSWSA-N	-2	0	347.309	-1.010	20	5		EABDRL
O=C(Cn1ccc([N+](=O)[O-])n1)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1	ZINC000831567128	583374099	/nfs/dbraw/zinc/37/40/99/583374099.db2.gz	CFDJUGIQAHVSKT-ZETCQYMHSA-N	-2	0	347.309	-1.010	20	5		EABDRL
O=C(Cn1cc([N+](=O)[O-])cn1)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1	ZINC000831567366	583374177	/nfs/dbraw/zinc/37/41/77/583374177.db2.gz	LRLHKJRKBAFGST-MRVPVSSYSA-N	-2	0	347.309	-1.010	20	5		EABDRL
O=C(Cn1cc([N+](=O)[O-])cn1)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1	ZINC000831567367	583374323	/nfs/dbraw/zinc/37/43/23/583374323.db2.gz	LRLHKJRKBAFGST-QMMMGPOBSA-N	-2	0	347.309	-1.010	20	5		EABDRL
O=C(Cn1cnc([N+](=O)[O-])n1)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1	ZINC000831567472	583374216	/nfs/dbraw/zinc/37/42/16/583374216.db2.gz	PPCNBEWEXSPGRK-LURJTMIESA-N	-2	0	348.297	-1.615	20	5		EABDRL
O=C(Cn1cnc([N+](=O)[O-])n1)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1	ZINC000831567473	583374554	/nfs/dbraw/zinc/37/45/54/583374554.db2.gz	PPCNBEWEXSPGRK-ZCFIWIBFSA-N	-2	0	348.297	-1.615	20	5		EABDRL
O=C([O-])C[C@@H](C(=O)Oc1[n-]c(=O)ncc1[N+](=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001226335221	794500394	/nfs/dbraw/zinc/50/03/94/794500394.db2.gz	FGFQCKGUZQLJAZ-AWFVSMACSA-N	-3	0	331.193	-1.468	20	5		EABDRL
O=C([O-])C[C@H](C(=O)Oc1[n-]c(=O)ncc1[N+](=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001226335224	794500451	/nfs/dbraw/zinc/50/04/51/794500451.db2.gz	FGFQCKGUZQLJAZ-BBIVZNJYSA-N	-3	0	331.193	-1.468	20	5		EABDRL
O=C([O-])C[C@@H](C(=O)Oc1[n-]c(=O)ncc1[N+](=O)[O-])[C@H](O)C(=O)[O-]	ZINC001226335228	794500606	/nfs/dbraw/zinc/50/06/06/794500606.db2.gz	FGFQCKGUZQLJAZ-CVYQJGLWSA-N	-3	0	331.193	-1.468	20	5		EABDRL
O=C([O-])C[C@H](C(=O)Oc1[n-]c(=O)ncc1[N+](=O)[O-])[C@H](O)C(=O)[O-]	ZINC001226335230	794500231	/nfs/dbraw/zinc/50/02/31/794500231.db2.gz	FGFQCKGUZQLJAZ-DZSWIPIPSA-N	-3	0	331.193	-1.468	20	5		EABDRL
O=C(Oc1[n-]c(=O)ncc1[N+](=O)[O-])[C@H](O)COP(=O)([O-])[O-]	ZINC001226337551	794500778	/nfs/dbraw/zinc/50/07/78/794500778.db2.gz	YRJRYSLVFLEXGN-SCSAIBSYSA-N	-3	0	325.126	-1.534	20	5		EABDRL
COC(=O)c1[n-]c(=O)nc(OC(=O)[C@H](O)CC(=O)[O-])c1[N+](=O)[O-]	ZINC001226653675	794503204	/nfs/dbraw/zinc/50/32/04/794503204.db2.gz	YMADQLVIBANIAS-GSVOUGTGSA-N	-2	0	331.193	-1.382	20	5		EABDRL
COC(=O)c1[n-]c(=O)nc(OC(=O)[C@@H](O)CC(=O)[O-])c1[N+](=O)[O-]	ZINC001226653676	794504203	/nfs/dbraw/zinc/50/42/03/794504203.db2.gz	YMADQLVIBANIAS-VKHMYHEASA-N	-2	0	331.193	-1.382	20	5		EABDRL
O=C([O-])C[C@@H](C(=O)Oc1nc[nH]c(=O)c1[N+](=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001228140997	794524466	/nfs/dbraw/zinc/52/44/66/794524466.db2.gz	ORMBWGMRSIFLTH-AWFVSMACSA-N	-2	0	331.193	-1.468	20	5		EABDRL
O=C([O-])C[C@H](C(=O)Oc1nc[nH]c(=O)c1[N+](=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001228141002	794525097	/nfs/dbraw/zinc/52/50/97/794525097.db2.gz	ORMBWGMRSIFLTH-BBIVZNJYSA-N	-2	0	331.193	-1.468	20	5		EABDRL
O=C([O-])C[C@@H](C(=O)Oc1nc[nH]c(=O)c1[N+](=O)[O-])[C@H](O)C(=O)[O-]	ZINC001228141006	794524398	/nfs/dbraw/zinc/52/43/98/794524398.db2.gz	ORMBWGMRSIFLTH-CVYQJGLWSA-N	-2	0	331.193	-1.468	20	5		EABDRL
O=C([O-])C[C@H](C(=O)Oc1nc[nH]c(=O)c1[N+](=O)[O-])[C@H](O)C(=O)[O-]	ZINC001228141010	794524501	/nfs/dbraw/zinc/52/45/01/794524501.db2.gz	ORMBWGMRSIFLTH-DZSWIPIPSA-N	-2	0	331.193	-1.468	20	5		EABDRL
O=C(Oc1nc[nH]c(=O)c1[N+](=O)[O-])[C@H](O)COP(=O)([O-])[O-]	ZINC001228142115	794524326	/nfs/dbraw/zinc/52/43/26/794524326.db2.gz	YEERXQOMHLMXJL-GSVOUGTGSA-N	-2	0	325.126	-1.534	20	5		EABDRL
Cc1nc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c([N+](=O)[O-])c(=O)[n-]1	ZINC001229378931	794538754	/nfs/dbraw/zinc/53/87/54/794538754.db2.gz	OFPSPBMYLXOWPY-SCSAIBSYSA-N	-3	0	339.153	-1.226	20	5		EABDRL
Cc1nc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c([N+](=O)[O-])c(=O)[n-]1	ZINC001229379600	794538701	/nfs/dbraw/zinc/53/87/01/794538701.db2.gz	VIWWZIUPJXANDN-CLZZGJSISA-N	-3	0	345.220	-1.159	20	5		EABDRL
Cc1nc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c([N+](=O)[O-])c(=O)[n-]1	ZINC001229379601	794538686	/nfs/dbraw/zinc/53/86/86/794538686.db2.gz	VIWWZIUPJXANDN-FBCQKBJTSA-N	-3	0	345.220	-1.159	20	5		EABDRL
Cc1nc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c([N+](=O)[O-])c(=O)[n-]1	ZINC001229379602	794539023	/nfs/dbraw/zinc/53/90/23/794539023.db2.gz	VIWWZIUPJXANDN-FFWSUHOLSA-N	-3	0	345.220	-1.159	20	5		EABDRL
Cc1nc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c([N+](=O)[O-])c(=O)[n-]1	ZINC001229379603	794538601	/nfs/dbraw/zinc/53/86/01/794538601.db2.gz	VIWWZIUPJXANDN-MHTLYPKNSA-N	-3	0	345.220	-1.159	20	5		EABDRL
O=C([O-])C[C@@H](C(=O)Oc1cc[n+]([O-])cc1[N+](=O)[O-])[C@H](O)C(=O)[O-]	ZINC001229455890	794540065	/nfs/dbraw/zinc/54/00/65/794540065.db2.gz	NZTAUOGQJVXVRT-ANLVUFKYSA-N	-2	0	330.205	-1.330	20	5		EABDRL
O=C([O-])C[C@H](C(=O)Oc1cc[n+]([O-])cc1[N+](=O)[O-])[C@H](O)C(=O)[O-]	ZINC001229455891	794539908	/nfs/dbraw/zinc/53/99/08/794539908.db2.gz	NZTAUOGQJVXVRT-CDUCUWFYSA-N	-2	0	330.205	-1.330	20	5		EABDRL
O=C([O-])C[C@@H](C(=O)Oc1cc[n+]([O-])cc1[N+](=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001229455892	794540406	/nfs/dbraw/zinc/54/04/06/794540406.db2.gz	NZTAUOGQJVXVRT-MLUIRONXSA-N	-2	0	330.205	-1.330	20	5		EABDRL
O=C([O-])C[C@H](C(=O)Oc1cc[n+]([O-])cc1[N+](=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001229455896	794539951	/nfs/dbraw/zinc/53/99/51/794539951.db2.gz	NZTAUOGQJVXVRT-SSDLBLMSSA-N	-2	0	330.205	-1.330	20	5		EABDRL