smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)c1sc([N-]C(=O)c2ccc([N+](=O)[O-])o2)nc1C(=O)[O-]	ZINC001592115276	976914894	/nfs/dbraw/zinc/91/48/94/976914894.db2.gz	YUAPGEPKIKOSCC-UHFFFAOYSA-N	-2	3	325.302	2.718	20	5		EFBDHL
CC[C@@](CNc1cc[n-]c(=O)c1[N+](=O)[O-])(C(=O)[O-])c1ccccc1	ZINC001595173014	979748268	/nfs/dbraw/zinc/74/82/68/979748268.db2.gz	XDHAWKWBYXYGBQ-INIZCTEOSA-N	-2	3	331.328	2.540	20	5		EFBDHL
COc1c([O-])ccc(CNc2cccc(CCC(=O)[O-])c2)c1[N+](=O)[O-]	ZINC001599345830	998003119	/nfs/dbraw/zinc/00/31/19/998003119.db2.gz	ZMNMRXZSZASFMF-UHFFFAOYSA-N	-2	3	346.339	2.938	20	5		EFBDHL
Cc1cc([N+](=O)[O-])ccc1C=Cc1nc(C)c(CC(=O)[O-])c(=O)[n-]1	ZINC000349105753	146054012	/nfs/dbraw/zinc/05/40/12/146054012.db2.gz	HHAIBQRXNMKZAG-GQCTYLIASA-N	-2	3	329.312	2.505	20	5		EFBDHL
O=c1nc(C=Cc2ccc(OCC(F)F)cc2)c([N+](=O)[O-])c([O-])[n-]1	ZINC000352020822	146266908	/nfs/dbraw/zinc/26/69/08/146266908.db2.gz	LDHUEBUNSLUTJJ-UTCJRWHESA-N	-2	3	339.254	2.610	20	5		EFBDHL
CCOC(=O)c1cnc(C(C)=Cc2cc([O-])ccc2[N+](=O)[O-])[n-]c1=O	ZINC000432703131	312578323	/nfs/dbraw/zinc/57/83/23/312578323.db2.gz	BOVCCWLEERLDRW-RMKNXTFCSA-N	-2	3	345.311	2.533	20	5		EFBDHL
CC(C)(C)OCc1cc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2[O-])no1	ZINC000186257994	473630402	/nfs/dbraw/zinc/63/04/02/473630402.db2.gz	LJTJIRRGZMTGAY-UHFFFAOYSA-N	-2	3	335.316	2.856	20	5		EFBDHL
COCc1ncsc1C(=O)[N-]c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000340003805	475679748	/nfs/dbraw/zinc/67/97/48/475679748.db2.gz	OFUGXTVGIBXOII-UHFFFAOYSA-N	-2	3	343.748	2.809	20	5		EFBDHL
Cc1[n-][nH]c(=NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1-c1ccccc1	ZINC000540951507	478518645	/nfs/dbraw/zinc/51/86/45/478518645.db2.gz	PJLMLQXWAJLRRJ-UHFFFAOYSA-N	-2	3	338.323	2.673	20	5		EFBDHL
O=C(c1ccc([O-])cc1)C1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1	ZINC000596174867	479179865	/nfs/dbraw/zinc/17/98/65/479179865.db2.gz	MZJSPCKFQDUFMP-UHFFFAOYSA-N	-2	3	343.339	2.500	20	5		EFBDHL
Cc1cc(S(=O)(=O)[N-]c2cccc([O-])c2F)c(F)cc1[N+](=O)[O-]	ZINC000590598140	479665850	/nfs/dbraw/zinc/66/58/50/479665850.db2.gz	OLQSVZLYEHJJOG-UHFFFAOYSA-N	-2	3	344.295	2.688	20	5		EFBDHL
O=C([O-])c1ccc(F)c(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c1	ZINC000238156722	526372338	/nfs/dbraw/zinc/37/23/38/526372338.db2.gz	KTCQXZOSMAGLCF-UHFFFAOYSA-N	-2	3	344.258	2.561	20	5		EFBDHL
CC[C@@H](COc1cc([O-])cc2oc3c(O)ccc(=O)c-3c([O-])c12)OC	ZINC001234125237	1313062001	/nfs/dbraw/zinc/06/20/01/1313062001.db2.gz	PJTXDUKFERTGHY-JTQLQIEISA-N	-2	3	346.335	2.867	20	5		EFBDHL
O=c1cc(O)cc2oc3c(ccc([O-])c3O[C@H]3CCCOC3)c([O-])c1-2	ZINC001234753349	1313189441	/nfs/dbraw/zinc/18/94/41/1313189441.db2.gz	NISKCXXITWKMAR-JTQLQIEISA-N	-2	3	344.319	2.621	20	5		EFBDHL
O=c1cccc2oc3cc([O-])c(OC4CC5(COC5)C4)cc3c([O-])c1-2	ZINC001227306865	1311791310	/nfs/dbraw/zinc/79/13/10/1311791310.db2.gz	OFOJLZHWYCWWIE-UHFFFAOYSA-N	-2	3	340.331	2.915	20	5		EFBDHL
CC(C)OC(=O)COc1cc2c([O-])c3c(=O)cccc-3oc2cc1[O-]	ZINC001227307766	1311791515	/nfs/dbraw/zinc/79/15/15/1311791515.db2.gz	ZVBBQCXRWXZUOB-UHFFFAOYSA-N	-2	3	344.319	2.688	20	5		EFBDHL
O=c1cccc2oc3cc([O-])c(O[C@H]4CCOC[C@@H]4F)cc3c([O-])c1-2	ZINC001227310145	1311792231	/nfs/dbraw/zinc/79/22/31/1311792231.db2.gz	TXRGKJHLHRZTOG-GWCFXTLKSA-N	-2	3	346.310	2.863	20	5		EFBDHL
COC(=O)C[C@H]1CCC[C@H](Oc2cc([O-])cc([O-])c2[N+](=O)[O-])C1	ZINC001228972637	1312029906	/nfs/dbraw/zinc/02/99/06/1312029906.db2.gz	BDIIUDKJDIQFIK-ONGXEEELSA-N	-2	3	325.317	2.507	20	5		EFBDHL
COC(=O)CC1CCC(Oc2cc([O-])cc([O-])c2[N+](=O)[O-])CC1	ZINC001228973142	1312030241	/nfs/dbraw/zinc/03/02/41/1312030241.db2.gz	GMAYEANPXXJOSK-UHFFFAOYSA-N	-2	3	325.317	2.507	20	5		EFBDHL
O=c1cccc2oc3cc([O-])c(OC[C@H]4C[C@H](O)C4)cc3c([O-])c1-2	ZINC001218425834	1315194292	/nfs/dbraw/zinc/19/42/92/1315194292.db2.gz	IJBHLJIVBSWPLP-MGCOHNPYSA-N	-2	3	328.320	2.507	20	5		EFBDHL
COc1c([O-])ccc(CNc2cc(C)cc(C(=O)[O-])c2)c1[N+](=O)[O-]	ZINC001599344076	997970500	/nfs/dbraw/zinc/97/05/00/997970500.db2.gz	AUZAZUIODDOBJR-UHFFFAOYSA-N	-2	3	332.312	2.928	20	5		EFBDHL
O=C([O-])/C=C/c1ccc(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)o1	ZINC001601876949	1095948709	/nfs/dbraw/zinc/94/87/09/1095948709.db2.gz	IRVHQFDTOPEZAS-DUXPYHPUSA-N	-2	3	338.222	2.816	20	5		EFBDHL
O=C([O-])c1cc([N-]C(=O)c2c(F)cccc2[N+](=O)[O-])c(F)cc1F	ZINC001602283765	1096160701	/nfs/dbraw/zinc/16/07/01/1096160701.db2.gz	UXGAXHCTRSLFRR-UHFFFAOYSA-N	-2	3	340.213	2.963	20	5		EFBDHL
O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1ccc(F)cc1[O-]	ZINC000441807782	250055378	/nfs/dbraw/zinc/05/53/78/250055378.db2.gz	HTJZBHQWJCYFER-UHFFFAOYSA-N	-2	3	342.286	2.504	20	5		EFBDHL
Cc1nc(C=Cc2ccc([N+](=O)[O-])cc2Cl)[n-]c(=O)c1CC(=O)[O-]	ZINC000349103853	146053306	/nfs/dbraw/zinc/05/33/06/146053306.db2.gz	DGWPLAGLZSOILA-HYXAFXHYSA-N	-2	3	349.730	2.850	20	5		EFBDHL
O=c1nc(C=Cc2ccc(Br)s2)c([N+](=O)[O-])c([O-])[n-]1	ZINC000352022329	146267217	/nfs/dbraw/zinc/26/72/17/146267217.db2.gz	XAZARPZSBDYFBR-IWQZZHSRSA-N	-2	3	344.146	2.790	20	5		EFBDHL
Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1cccc([O-])c1F	ZINC000131550329	293200275	/nfs/dbraw/zinc/20/02/75/293200275.db2.gz	CTFDQDXPMITNDK-UHFFFAOYSA-N	-2	3	340.332	2.857	20	5		EFBDHL
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2[nH]ccc2c1	ZINC000156512518	293513281	/nfs/dbraw/zinc/51/32/81/293513281.db2.gz	GXLYXYUIZJFKAY-UHFFFAOYSA-N	-2	3	347.352	2.891	20	5		EFBDHL
Cc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)ccc1F	ZINC000157012268	293530349	/nfs/dbraw/zinc/53/03/49/293530349.db2.gz	LDOAOHXWHKBLDM-UHFFFAOYSA-N	-2	3	340.332	2.857	20	5		EFBDHL
CSc1cccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000005881839	471524143	/nfs/dbraw/zinc/52/41/43/471524143.db2.gz	MJIYSTOCQDVVCG-UHFFFAOYSA-N	-2	3	340.382	2.823	20	5		EFBDHL
Cc1ccc([O-])c([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])c1	ZINC000157306494	472806339	/nfs/dbraw/zinc/80/63/39/472806339.db2.gz	ZEMVOQGWRBRUGQ-UHFFFAOYSA-N	-2	3	336.369	2.593	20	5		EFBDHL
Cc1ccc(-c2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3[O-])n[n-]2)o1	ZINC000179172988	473646519	/nfs/dbraw/zinc/64/65/19/473646519.db2.gz	UCGKNLABPVSIEL-UHFFFAOYSA-N	-2	3	328.284	2.844	20	5		EFBDHL
Cc1ccc(-c2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3[O-])[n-]n2)o1	ZINC000179172988	473646526	/nfs/dbraw/zinc/64/65/26/473646526.db2.gz	UCGKNLABPVSIEL-UHFFFAOYSA-N	-2	3	328.284	2.844	20	5		EFBDHL
Cc1ccccc1-c1cc(=NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)[nH][n-]1	ZINC000436978036	477656763	/nfs/dbraw/zinc/65/67/63/477656763.db2.gz	HCPXIUZEIKRPOW-UHFFFAOYSA-N	-2	3	338.323	2.673	20	5		EFBDHL
O=C(/C=C\c1cncc([O-])c1)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000492392303	478965082	/nfs/dbraw/zinc/96/50/82/478965082.db2.gz	BZHXAELLEZKPDT-UPHRSURJSA-N	-2	3	335.703	2.706	20	5		EFBDHL
Cc1sc(S(=O)(=O)[N-]c2cccc([O-])c2F)cc1[N+](=O)[O-]	ZINC000545933397	478975847	/nfs/dbraw/zinc/97/58/47/478975847.db2.gz	JHOLUZGIULGSIA-UHFFFAOYSA-N	-2	3	332.334	2.610	20	5		EFBDHL
COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2n[n-]c(-c3ccc(C)o3)n2)c1	ZINC000181878374	525449238	/nfs/dbraw/zinc/44/92/38/525449238.db2.gz	PRNLXLKPXQTNAG-UHFFFAOYSA-N	-2	3	343.299	2.542	20	5		EFBDHL
O=C([O-])c1ccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc1F	ZINC000767200007	577199698	/nfs/dbraw/zinc/19/96/98/577199698.db2.gz	CGNXFFACMHZYSI-UHFFFAOYSA-N	-2	3	344.258	2.561	20	5		EFBDHL
O=C([O-])c1cc(Nc2cc(=O)n(-c3ccccc3)[n-]2)cc([N+](=O)[O-])c1	ZINC001176672600	1288064576	/nfs/dbraw/zinc/06/45/76/1288064576.db2.gz	KUQGSLHSLSPEPR-UHFFFAOYSA-N	-2	3	340.295	2.928	20	5		EFBDHL
O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc([O-])c1F	ZINC000131507106	1293543447	/nfs/dbraw/zinc/54/34/47/1293543447.db2.gz	CWFRDJOENBMBEK-UHFFFAOYSA-N	-2	3	346.723	2.894	20	5		EFBDHL
CO[C@@H](C)CCOc1cc([O-])cc2oc3c(O)ccc(=O)c-3c([O-])c12	ZINC001234125631	1313062212	/nfs/dbraw/zinc/06/22/12/1313062212.db2.gz	UVLCGDZZVPGDMA-VIFPVBQESA-N	-2	3	346.335	2.867	20	5		EFBDHL
O=c1c2cccc([O-])c2oc2cc([O-])cc(OC[C@@H]3CCCO3)c12	ZINC001234741006	1313188364	/nfs/dbraw/zinc/18/83/64/1313188364.db2.gz	DHMIZYFUSRSGHG-NSHDSACASA-N	-2	3	328.320	2.915	20	5		EFBDHL
COC(=O)C[C@@H](C)Oc1cc([O-])cc2oc3c([O-])cccc3c(=O)c12	ZINC001234746972	1313188739	/nfs/dbraw/zinc/18/87/39/1313188739.db2.gz	HCZZJQAAERZXFG-SECBINFHSA-N	-2	3	344.319	2.688	20	5		EFBDHL
COc1c([O-])ccc2c(=O)c3c(O[C@@H](C)C(C)=O)cc([O-])cc3oc21	ZINC001234749545	1313188784	/nfs/dbraw/zinc/18/87/84/1313188784.db2.gz	QDLXQDKSELCDDW-VIFPVBQESA-N	-2	3	344.319	2.722	20	5		EFBDHL
COc1c([O-])ccc2c(=O)c3c(OC[C@@H](C)OC)cc([O-])cc3oc21	ZINC001234750349	1313188958	/nfs/dbraw/zinc/18/89/58/1313188958.db2.gz	YKFCONDUNOWMIW-SECBINFHSA-N	-2	3	346.335	2.780	20	5		EFBDHL
O=c1cc(O)cc2oc3c(ccc([O-])c3OC[C@H]3CCCO3)c([O-])c1-2	ZINC001234751039	1313189009	/nfs/dbraw/zinc/18/90/09/1313189009.db2.gz	ROQMQTBSLZFDHP-SNVBAGLBSA-N	-2	3	344.319	2.621	20	5		EFBDHL
O=c1cccc2oc3cc([O-])c(O[C@@H]4CCOC[C@@H]4F)cc3c([O-])c1-2	ZINC001227310148	1311791968	/nfs/dbraw/zinc/79/19/68/1311791968.db2.gz	TXRGKJHLHRZTOG-GXFFZTMASA-N	-2	3	346.310	2.863	20	5		EFBDHL
CC[C@@H](Oc1cc2c([O-])c3c(=O)cccc-3oc2cc1[O-])C(=O)OC	ZINC001227309518	1311792203	/nfs/dbraw/zinc/79/22/03/1311792203.db2.gz	MTTQTLASFYXXAK-GFCCVEGCSA-N	-2	3	344.319	2.688	20	5		EFBDHL
CC/C=C\CCOC(=O)[C@@H](C)Oc1cc([O-])cc([O-])c1[N+](=O)[O-]	ZINC001228970926	1312029458	/nfs/dbraw/zinc/02/94/58/1312029458.db2.gz	LCLPZANABHTOLN-UMCURTJPSA-N	-2	3	325.317	2.673	20	5		EFBDHL
Cc1ccc(N2CCC[C@@H](Oc3cc([O-])cc([O-])c3[N+](=O)[O-])C2)nc1	ZINC001228972821	1312030089	/nfs/dbraw/zinc/03/00/89/1312030089.db2.gz	DLEOUTJDNAJKNJ-CYBMUJFWSA-N	-2	3	345.355	2.757	20	5		EFBDHL
COc1ccc(OC[C@H](C)Oc2cc([O-])cc([O-])c2[N+](=O)[O-])cc1	ZINC001228975020	1312030120	/nfs/dbraw/zinc/03/01/20/1312030120.db2.gz	XGIKZOPHMKAASO-JTQLQIEISA-N	-2	3	335.312	2.861	20	5		EFBDHL
COCOc1ccc2nc(-c3cc([N+](=O)[O-])c([O-])cc3[O-])[nH]c2c1	ZINC001251086302	1315320690	/nfs/dbraw/zinc/32/06/90/1315320690.db2.gz	AGCAZCRIMRMPRQ-UHFFFAOYSA-N	-2	3	331.284	2.532	20	5		EFBDHL
O=C([O-])c1cc(C(=O)Nc2cc(Cl)ccc2[O-])cc([N+](=O)[O-])c1	ZINC001602247882	1096137194	/nfs/dbraw/zinc/13/71/94/1096137194.db2.gz	LMFBGBTVWZWBSE-UHFFFAOYSA-N	-2	3	336.687	2.904	20	5		EFBDHL
CCc1ccc([O-])c(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1	ZINC001605821283	1097238006	/nfs/dbraw/zinc/23/80/06/1097238006.db2.gz	BAHFFAXKFRWPLG-UHFFFAOYSA-N	-2	3	330.296	2.813	20	5		EFBDHL
O=[N+]([O-])c1ccc([O-])cc1CSc1ccccc1-c1nnn[n-]1	ZINC001607082549	1097507902	/nfs/dbraw/zinc/50/79/02/1097507902.db2.gz	PBBNQABQCRPIQL-UHFFFAOYSA-N	-2	3	329.341	2.773	20	5		EFBDHL
O=[N+]([O-])c1ccc([O-])cc1CSc1ccccc1-c1nn[n-]n1	ZINC001607082549	1097507908	/nfs/dbraw/zinc/50/79/08/1097507908.db2.gz	PBBNQABQCRPIQL-UHFFFAOYSA-N	-2	3	329.341	2.773	20	5		EFBDHL
COc1ccc(C(=O)[O-])c([N-]C(=O)c2ccc([N+](=O)[O-])s2)c1F	ZINC001607208790	1097561615	/nfs/dbraw/zinc/56/16/15/1097561615.db2.gz	KHXCRPXBOKUYDU-UHFFFAOYSA-N	-2	3	340.288	2.755	20	5		EFBDHL
Cc1ccc(C[C@H](Sc2cc[n-]c(=O)c2[N+](=O)[O-])C(=O)[O-])cc1	ZINC001607775715	1097728346	/nfs/dbraw/zinc/72/83/46/1097728346.db2.gz	LVJUNIXTEVMKSV-LBPRGKRZSA-N	-2	3	334.353	2.792	20	5		EFBDHL
O=C(N=c1cc(-c2ccccc2)o[n-]1)c1cccc([N+](=O)[O-])c1[O-]	ZINC000436796641	249597519	/nfs/dbraw/zinc/59/75/19/249597519.db2.gz	WYUFXHBOHNXRPJ-UHFFFAOYSA-N	-2	3	325.280	2.630	20	5		EFBDHL
O=c1nc(C=Cc2nc3ccc(F)cc3s2)c([N+](=O)[O-])c([O-])[n-]1	ZINC000352012538	146264171	/nfs/dbraw/zinc/26/41/71/146264171.db2.gz	BMQVHKCLFAJACI-ARJAWSKDSA-N	-2	3	334.288	2.715	20	5		EFBDHL
O=c1cc(C=Cc2ccc([N+](=O)[O-])c([O-])c2)nc(-c2ccncc2)[n-]1	ZINC000352021069	146267006	/nfs/dbraw/zinc/26/70/06/146267006.db2.gz	MIYNGDUJCMGFNP-IWQZZHSRSA-N	-2	3	336.307	2.616	20	5		EFBDHL
O=c1nc(C=Cc2ccc(Br)s2)c([N+](=O)[O-])c([O-])[n-]1	ZINC000352022328	146267178	/nfs/dbraw/zinc/26/71/78/146267178.db2.gz	XAZARPZSBDYFBR-HNQUOIGGSA-N	-2	3	344.146	2.790	20	5		EFBDHL
Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)cc1F	ZINC000158907927	293588411	/nfs/dbraw/zinc/58/84/11/293588411.db2.gz	HOBYESUJPXVADE-UHFFFAOYSA-N	-2	3	340.332	2.857	20	5		EFBDHL
O=C([N-]c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1snnc1C1CC1	ZINC000290511516	294106572	/nfs/dbraw/zinc/10/65/72/294106572.db2.gz	YYHPREZODAPWBM-UHFFFAOYSA-N	-2	3	340.748	2.935	20	5		EFBDHL
O=c1nc(C=Cc2cc(Br)cs2)c([N+](=O)[O-])c([O-])[n-]1	ZINC000352013972	311885974	/nfs/dbraw/zinc/88/59/74/311885974.db2.gz	NDWCCMXHFJSHOJ-OWOJBTEDSA-N	-2	3	344.146	2.790	20	5		EFBDHL
CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000024100942	472046235	/nfs/dbraw/zinc/04/62/35/472046235.db2.gz	HLOVNTQBULKZMJ-UHFFFAOYSA-N	-2	3	336.369	2.972	20	5		EFBDHL
Cc1ccc(F)c([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000032798211	472469496	/nfs/dbraw/zinc/46/94/96/472469496.db2.gz	QUYWHPNTEKTDBN-UHFFFAOYSA-N	-2	3	326.305	2.549	20	5		EFBDHL
O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000134209524	472885874	/nfs/dbraw/zinc/88/58/74/472885874.db2.gz	QKPLKQKNIVWZRG-UHFFFAOYSA-N	-2	3	343.217	2.672	20	5		EFBDHL
O=C(N=c1cc(-c2cccc(F)c2)o[n-]1)c1cccc([N+](=O)[O-])c1[O-]	ZINC000448538540	477185534	/nfs/dbraw/zinc/18/55/34/477185534.db2.gz	OTMIEIGQDJOMJP-UHFFFAOYSA-N	-2	3	343.270	2.769	20	5		EFBDHL
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)ccc1[O-]	ZINC000068038781	527340220	/nfs/dbraw/zinc/34/02/20/527340220.db2.gz	HHOJDXWTMYQNAB-UHFFFAOYSA-N	-2	3	346.723	2.894	20	5		EFBDHL
CCOC[C@@H](C)Oc1cc([O-])cc2oc3c(O)ccc(=O)c-3c([O-])c12	ZINC001234125280	1313061661	/nfs/dbraw/zinc/06/16/61/1313061661.db2.gz	QFGKOMRZYKOUIW-SECBINFHSA-N	-2	3	346.335	2.867	20	5		EFBDHL
CC[C@@H](COC)Oc1cc([O-])cc2oc3c(O)ccc(=O)c-3c([O-])c12	ZINC001234122979	1313061697	/nfs/dbraw/zinc/06/16/97/1313061697.db2.gz	DAUUPXLUQZWOED-JTQLQIEISA-N	-2	3	346.335	2.867	20	5		EFBDHL
CO[C@H](C)CCOc1cc([O-])cc2oc3c(O)ccc(=O)c-3c([O-])c12	ZINC001234125630	1313062616	/nfs/dbraw/zinc/06/26/16/1313062616.db2.gz	UVLCGDZZVPGDMA-SECBINFHSA-N	-2	3	346.335	2.867	20	5		EFBDHL
CCOC(=O)[C@H](C)Oc1cc([O-])cc2oc3c([O-])cccc3c(=O)c12	ZINC001234746832	1313188921	/nfs/dbraw/zinc/18/89/21/1313188921.db2.gz	GJAACDYQNNPHGX-VIFPVBQESA-N	-2	3	344.319	2.688	20	5		EFBDHL
CCOC[C@H](C)Oc1c([O-])ccc2c([O-])c3c(=O)cc(O)cc-3oc21	ZINC001234749942	1313189070	/nfs/dbraw/zinc/18/90/70/1313189070.db2.gz	GRTODMANODJMGW-VIFPVBQESA-N	-2	3	346.335	2.867	20	5		EFBDHL
COC(=O)c1ccc([C@@H](C)Oc2cc([O-])cc([O-])c2[N+](=O)[O-])cc1	ZINC001228969131	1312029106	/nfs/dbraw/zinc/02/91/06/1312029106.db2.gz	ZJPIVIGODGYAET-SECBINFHSA-N	-2	3	333.296	2.933	20	5		EFBDHL
C[C@H](Oc1cc([O-])cc([O-])c1[N+](=O)[O-])C(=O)OCc1ccccc1	ZINC001228972608	1312030470	/nfs/dbraw/zinc/03/04/70/1312030470.db2.gz	AKRJNRFCPDSIOJ-JTQLQIEISA-N	-2	3	333.296	2.517	20	5		EFBDHL
CC(C)(C)c1nc([N-]C(=O)c2ccc([N+](=O)[O-])o2)sc1C(=O)[O-]	ZINC001590544969	990177913	/nfs/dbraw/zinc/17/79/13/990177913.db2.gz	NJSADIHBIITIFU-UHFFFAOYSA-N	-2	3	339.329	2.892	20	5		EFBDHL
O=[N+]([O-])c1ccc([O-])cc1CSc1ccc(-c2nnn[n-]2)cc1F	ZINC001593480877	1094327313	/nfs/dbraw/zinc/32/73/13/1094327313.db2.gz	AOUMYDSEAQQPJK-UHFFFAOYSA-N	-2	3	347.331	2.912	20	5		EFBDHL
O=[N+]([O-])c1ccc([O-])cc1CSc1ccc(-c2nn[n-]n2)cc1F	ZINC001593480877	1094327323	/nfs/dbraw/zinc/32/73/23/1094327323.db2.gz	AOUMYDSEAQQPJK-UHFFFAOYSA-N	-2	3	347.331	2.912	20	5		EFBDHL
O=C([O-])CCc1ccc([O-])c(NC(=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC001608739372	1098005734	/nfs/dbraw/zinc/00/57/34/1098005734.db2.gz	NPWMVUMPXMKWTJ-UHFFFAOYSA-N	-2	3	330.296	2.570	20	5		EFBDHL
O=C([N-]c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ncc(F)cc1F	ZINC000192201537	240030469	/nfs/dbraw/zinc/03/04/69/240030469.db2.gz	QCPYVNNGROWOPV-UHFFFAOYSA-N	-2	3	329.646	2.879	20	5		EFBDHL
Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000024101643	472046869	/nfs/dbraw/zinc/04/68/69/472046869.db2.gz	JBMZQERMTXSHAU-UHFFFAOYSA-N	-2	3	326.305	2.549	20	5		EFBDHL
Cc1cc(C)c(S(=O)(=O)[N-]c2cccc([O-])c2F)cc1[N+](=O)[O-]	ZINC000191798701	473579150	/nfs/dbraw/zinc/57/91/50/473579150.db2.gz	YKHFJKATHMGODV-UHFFFAOYSA-N	-2	3	340.332	2.857	20	5		EFBDHL
O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc([O-])c1F	ZINC000536612014	478262426	/nfs/dbraw/zinc/26/24/26/478262426.db2.gz	VTKFOTHEUVJKFR-UHFFFAOYSA-N	-2	3	346.723	2.894	20	5		EFBDHL
CC(C)(C(=O)[O-])n1cc([N-]c2nc3c(cc2[N+](=O)[O-])CCCC3)cn1	ZINC000595978410	479087253	/nfs/dbraw/zinc/08/72/53/479087253.db2.gz	LPEVQZXROQTQCE-UHFFFAOYSA-N	-2	3	345.359	2.628	20	5		EFBDHL
O=C([N-]c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc([N+](=O)[O-])cn1	ZINC000758468451	575870473	/nfs/dbraw/zinc/87/04/73/575870473.db2.gz	AZYKMSQHNRKOHL-UHFFFAOYSA-N	-2	3	338.663	2.509	20	5		EFBDHL
CCO[C@H](C)COc1cc([O-])cc2oc3c(O)ccc(=O)c-3c([O-])c12	ZINC001234123615	1313061467	/nfs/dbraw/zinc/06/14/67/1313061467.db2.gz	DULGRVCACOAFKC-SECBINFHSA-N	-2	3	346.335	2.867	20	5		EFBDHL
O=c1ccc(O)c2oc3cc([O-])cc(OC4CCOCC4)c3c([O-])c1-2	ZINC001234119521	1313061745	/nfs/dbraw/zinc/06/17/45/1313061745.db2.gz	OMBCBJSKQMYALZ-UHFFFAOYSA-N	-2	3	344.319	2.621	20	5		EFBDHL
CC(C)OC(=O)COc1cc([O-])cc2oc3c([O-])cccc3c(=O)c12	ZINC001234742915	1313188223	/nfs/dbraw/zinc/18/82/23/1313188223.db2.gz	VOGUOGMLHXZFKI-UHFFFAOYSA-N	-2	3	344.319	2.688	20	5		EFBDHL
CC[C@@H](COc1c([O-])ccc2c([O-])c3c(=O)cc(O)cc-3oc21)OC	ZINC001234750547	1313189161	/nfs/dbraw/zinc/18/91/61/1313189161.db2.gz	LOCAIGSVLTYOOP-JTQLQIEISA-N	-2	3	346.335	2.867	20	5		EFBDHL
COc1c([O-])ccc2c(=O)c3c(OC[C@H]4CCO4)cc([O-])cc3oc21	ZINC001234750337	1313189171	/nfs/dbraw/zinc/18/91/71/1313189171.db2.gz	XVPYPQBZNQINHH-SNVBAGLBSA-N	-2	3	344.319	2.534	20	5		EFBDHL
CC(=O)c1ccc([O-])c(CCOC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1	ZINC000780072723	1311054599	/nfs/dbraw/zinc/05/45/99/1311054599.db2.gz	ULRRXNFMXIDAMF-UHFFFAOYSA-N	-2	3	345.307	2.608	20	5		EFBDHL
CN1CCC[C@@H](Oc2cc3c([O-])c4c(=O)cccc-4oc3cc2[O-])C1	ZINC001227306680	1311791434	/nfs/dbraw/zinc/79/14/34/1311791434.db2.gz	LSMKXNYXKAKZJS-LLVKDONJSA-N	-2	3	341.363	2.830	20	5		EFBDHL
O=c1cccc2oc3cc([O-])c(OC[C@H]4CCCO4)cc3c([O-])c1-2	ZINC001227307218	1311791466	/nfs/dbraw/zinc/79/14/66/1311791466.db2.gz	TVJJYUBUEICQAL-SNVBAGLBSA-N	-2	3	328.320	2.915	20	5		EFBDHL
CCOC(=O)[C@@H]1CCCC[C@H]1Oc1cc([O-])cc([O-])c1[N+](=O)[O-]	ZINC001228971197	1312029735	/nfs/dbraw/zinc/02/97/35/1312029735.db2.gz	LPAZRUMRARYSDA-ZYHUDNBSSA-N	-2	3	325.317	2.507	20	5		EFBDHL
O=[N+]([O-])c1c([O-])cc([O-])cc1O[C@H]1CCN2Cc3ccccc3N=C12	ZINC001228973862	1312030190	/nfs/dbraw/zinc/03/01/90/1312030190.db2.gz	OIDPYZADTDNAQX-AWEZNQCLSA-N	-2	3	341.323	2.703	20	5		EFBDHL
Cc1nc(OC(=C([O-])c2ccco2)c2ccco2)c([N+](=O)[O-])c(=O)[n-]1	ZINC001229380831	1312086071	/nfs/dbraw/zinc/08/60/71/1312086071.db2.gz	LQLKQDWKKXMZGZ-ZDUSSCGKSA-N	-2	3	345.267	2.588	20	5		EFBDHL
COc1c([O-])ccc(CN2CCc3cc(C(=O)[O-])ccc32)c1[N+](=O)[O-]	ZINC001599344747	997983357	/nfs/dbraw/zinc/98/33/57/997983357.db2.gz	OCQHKGPRQSMAPO-UHFFFAOYSA-N	-2	3	344.323	2.570	20	5		EFBDHL
COc1c([O-])ccc(CNc2cccc(CC(=O)[O-])c2)c1[N+](=O)[O-]	ZINC001599345790	998003767	/nfs/dbraw/zinc/00/37/67/998003767.db2.gz	YZKQEWRIKIQJEG-UHFFFAOYSA-N	-2	3	332.312	2.548	20	5		EFBDHL
COc1cc(C(=O)[O-])ccc1NCc1ccc([O-])c(OC)c1[N+](=O)[O-]	ZINC001599375077	998472860	/nfs/dbraw/zinc/47/28/60/998472860.db2.gz	IHRBRLZLKBMULL-UHFFFAOYSA-N	-2	3	348.311	2.628	20	5		EFBDHL
O=C([O-])c1ccc2c(c1)[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])CCC2	ZINC001608919588	1098072732	/nfs/dbraw/zinc/07/27/32/1098072732.db2.gz	XRYFTKDQXFUTPD-GFCCVEGCSA-N	-2	3	343.339	2.926	20	5		EFBDHL
Cc1nc(C=Cc2ccc([N+](=O)[O-])cc2Cl)[n-]c(=O)c1CC(=O)[O-]	ZINC000349103851	146053135	/nfs/dbraw/zinc/05/31/35/146053135.db2.gz	DGWPLAGLZSOILA-HWKANZROSA-N	-2	3	349.730	2.850	20	5		EFBDHL
O=c1nc(C=Cc2ccc(OC(F)F)cc2)c([N+](=O)[O-])c([O-])[n-]1	ZINC000352014005	146265493	/nfs/dbraw/zinc/26/54/93/146265493.db2.gz	NNLGBELJYCWEPZ-ZZXKWVIFSA-N	-2	3	325.227	2.568	20	5		EFBDHL
O=c1nc(C=Cc2ccc(OCC(F)F)cc2)c([N+](=O)[O-])c([O-])[n-]1	ZINC000352020823	146266787	/nfs/dbraw/zinc/26/67/87/146266787.db2.gz	LDHUEBUNSLUTJJ-ZZXKWVIFSA-N	-2	3	339.254	2.610	20	5		EFBDHL
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc([O-])c1F	ZINC000127892254	293084041	/nfs/dbraw/zinc/08/40/41/293084041.db2.gz	UOJCETNRHHEGHA-UHFFFAOYSA-N	-2	3	326.305	2.549	20	5		EFBDHL
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c(F)c1	ZINC000158907443	293588602	/nfs/dbraw/zinc/58/86/02/293588602.db2.gz	ZJRWCXNHCQFXGK-UHFFFAOYSA-N	-2	3	344.295	2.688	20	5		EFBDHL
O=c1nc(C=Cc2ccc(OCC3CC3)cc2)c([N+](=O)[O-])c([O-])[n-]1	ZINC000453029970	312848506	/nfs/dbraw/zinc/84/85/06/312848506.db2.gz	SRBPRYWNXUINCI-VMPITWQZSA-N	-2	3	329.312	2.755	20	5		EFBDHL
CCCC[C@H](Sc1nc2ccc([N+](=O)[O-])cc2c(=O)[n-]1)C(=O)[O-]	ZINC000577747490	320141096	/nfs/dbraw/zinc/14/10/96/320141096.db2.gz	ZBDFFTIVFNWTPY-NSHDSACASA-N	-2	3	337.357	2.979	20	5		EFBDHL
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-]	ZINC000024100946	472046726	/nfs/dbraw/zinc/04/67/26/472046726.db2.gz	JZUHVPIZTWWEEZ-UHFFFAOYSA-N	-2	3	328.733	2.755	20	5		EFBDHL
CSc1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000028810738	472238272	/nfs/dbraw/zinc/23/82/72/472238272.db2.gz	UTPAWLYWGOOIBP-UHFFFAOYSA-N	-2	3	340.382	2.823	20	5		EFBDHL
Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)c(F)c1	ZINC000089616774	472470792	/nfs/dbraw/zinc/47/07/92/472470792.db2.gz	YMQMBFZQTMPXKB-UHFFFAOYSA-N	-2	3	340.332	2.857	20	5		EFBDHL
O=C([N-]c1n[n-]c(-c2ccco2)n1)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000073973381	472914681	/nfs/dbraw/zinc/91/46/81/472914681.db2.gz	CHHLQBLLNHIVAT-UHFFFAOYSA-N	-2	3	333.691	2.879	20	5		EFBDHL
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(F)c1F	ZINC000158912799	472979277	/nfs/dbraw/zinc/97/92/77/472979277.db2.gz	OGJKYJADWUGYEQ-UHFFFAOYSA-N	-2	3	344.295	2.688	20	5		EFBDHL
COc1cc(CNc2cc(C(=O)[O-])ccc2C)c([N+](=O)[O-])cc1[O-]	ZINC000340676662	476197895	/nfs/dbraw/zinc/19/78/95/476197895.db2.gz	DGYJSGGMRVXKRJ-UHFFFAOYSA-N	-2	3	332.312	2.928	20	5		EFBDHL
COc1cc(CNc2cc(C(=O)[O-])ccc2OC)c([N+](=O)[O-])cc1[O-]	ZINC000340679604	476201340	/nfs/dbraw/zinc/20/13/40/476201340.db2.gz	NRRGVBCGGDWRGD-UHFFFAOYSA-N	-2	3	348.311	2.628	20	5		EFBDHL
COc1cc(C=Cc2cc(=O)[n-]c(C3CC3)n2)cc([N+](=O)[O-])c1[O-]	ZINC000436932816	477640581	/nfs/dbraw/zinc/64/05/81/477640581.db2.gz	OVPUUAAJRNCSJD-GORDUTHDSA-N	-2	3	329.312	2.852	20	5		EFBDHL
COc1cc(C=Cc2cc(=O)[n-]c(C3CC3)n2)cc([N+](=O)[O-])c1[O-]	ZINC000436932814	477641599	/nfs/dbraw/zinc/64/15/99/477641599.db2.gz	OVPUUAAJRNCSJD-DJWKRKHSSA-N	-2	3	329.312	2.852	20	5		EFBDHL
Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2F)cc1[O-]	ZINC000760361365	576012182	/nfs/dbraw/zinc/01/21/82/576012182.db2.gz	DQAHGHFEGVNYBE-UHFFFAOYSA-N	-2	3	340.332	2.857	20	5		EFBDHL
COc1cc(CNc2cccc(CC(=O)[O-])c2)c([N+](=O)[O-])cc1[O-]	ZINC000818561543	597137655	/nfs/dbraw/zinc/13/76/55/597137655.db2.gz	QZMLZGGSGZFUHZ-UHFFFAOYSA-N	-2	3	332.312	2.548	20	5		EFBDHL
CC[C@H](COC)Oc1cc([O-])cc2oc3c(O)ccc(=O)c-3c([O-])c12	ZINC001234122981	1313061540	/nfs/dbraw/zinc/06/15/40/1313061540.db2.gz	DAUUPXLUQZWOED-SNVBAGLBSA-N	-2	3	346.335	2.867	20	5		EFBDHL
CC(C)OCCOc1cc([O-])cc2oc3c(O)ccc(=O)c-3c([O-])c12	ZINC001234124751	1313061923	/nfs/dbraw/zinc/06/19/23/1313061923.db2.gz	KOWVTAYVOJCIRG-UHFFFAOYSA-N	-2	3	346.335	2.867	20	5		EFBDHL
CC[C@@H](Oc1cc([O-])cc2oc3c([O-])cccc3c(=O)c12)C(=O)OC	ZINC001234740661	1313187383	/nfs/dbraw/zinc/18/73/83/1313187383.db2.gz	AIAJNCSZFYDVKG-GFCCVEGCSA-N	-2	3	344.319	2.688	20	5		EFBDHL
CC[C@H](COC)Oc1c([O-])ccc2c([O-])c3c(=O)cc(O)cc-3oc21	ZINC001234751183	1313188679	/nfs/dbraw/zinc/18/86/79/1313188679.db2.gz	SNNQMUDUZSEPCZ-SNVBAGLBSA-N	-2	3	346.335	2.867	20	5		EFBDHL
O=c1cc(O)cc2oc3c(ccc([O-])c3OC[C@@H]3CCCO3)c([O-])c1-2	ZINC001234751038	1313188696	/nfs/dbraw/zinc/18/86/96/1313188696.db2.gz	ROQMQTBSLZFDHP-JTQLQIEISA-N	-2	3	344.319	2.621	20	5		EFBDHL
O=c1cccc2oc3cc([O-])c(OC4CCOCC4)cc3c([O-])c1-2	ZINC001227307325	1311791486	/nfs/dbraw/zinc/79/14/86/1311791486.db2.gz	VWZMOTHRPACDSD-UHFFFAOYSA-N	-2	3	328.320	2.915	20	5		EFBDHL
CC(C)N1CC(Oc2cc3c([O-])c4c(=O)cccc-4oc3cc2[O-])C1	ZINC001227306958	1311791665	/nfs/dbraw/zinc/79/16/65/1311791665.db2.gz	QXMBJJSBJUWAOV-UHFFFAOYSA-N	-2	3	341.363	2.829	20	5		EFBDHL
CCN1CC[C@@H](Oc2cc3c([O-])c4c(=O)cccc-4oc3cc2[O-])C1	ZINC001227306416	1311791754	/nfs/dbraw/zinc/79/17/54/1311791754.db2.gz	JVOTXNJSMBNIBM-LLVKDONJSA-N	-2	3	341.363	2.830	20	5		EFBDHL
CC1(C)CC(Oc2cc([O-])cc([O-])c2[N+](=O)[O-])CC(C)(C)N1O	ZINC001228971318	1312029571	/nfs/dbraw/zinc/02/95/71/1312029571.db2.gz	NRTDTDIKFYUCGO-UHFFFAOYSA-N	-2	3	326.349	2.796	20	5		EFBDHL
Cc1ccc(N2CCC[C@H](Oc3cc([O-])cc([O-])c3[N+](=O)[O-])C2)nc1	ZINC001228972822	1312030627	/nfs/dbraw/zinc/03/06/27/1312030627.db2.gz	DLEOUTJDNAJKNJ-ZDUSSCGKSA-N	-2	3	345.355	2.757	20	5		EFBDHL
COc1c([O-])ccc(CN2Cc3ccc(C(=O)[O-])cc3C2)c1[N+](=O)[O-]	ZINC001599344458	997978340	/nfs/dbraw/zinc/97/83/40/997978340.db2.gz	JJZQDICWBAQOGK-UHFFFAOYSA-N	-2	3	344.323	2.523	20	5		EFBDHL
O=C([O-])c1ccc(OC(=O)c2cccc(Cl)c2[O-])cc1[N+](=O)[O-]	ZINC001608906317	1098067155	/nfs/dbraw/zinc/06/71/55/1098067155.db2.gz	CXOQVQAAZSFEHX-UHFFFAOYSA-N	-2	3	337.671	2.871	20	5		EFBDHL
Cc1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c(F)c1	ZINC000032798188	212845062	/nfs/dbraw/zinc/84/50/62/212845062.db2.gz	QXYMZRMVWCNYGI-UHFFFAOYSA-N	-2	3	326.305	2.549	20	5		EFBDHL
Cc1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1F	ZINC000021363391	212221905	/nfs/dbraw/zinc/22/19/05/212221905.db2.gz	AKRCHYOIROQSDW-UHFFFAOYSA-N	-2	3	326.305	2.549	20	5		EFBDHL
O=C([N-]c1n[n-]c(C(F)(F)F)n1)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000078379917	217045791	/nfs/dbraw/zinc/04/57/91/217045791.db2.gz	BBGCFVNDHJDCIR-UHFFFAOYSA-N	-2	3	335.629	2.637	20	5		EFBDHL
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccc([O-])c2F)c1C	ZINC000095445378	218389095	/nfs/dbraw/zinc/38/90/95/218389095.db2.gz	ZZZOAPWQQRKCCQ-UHFFFAOYSA-N	-2	3	340.332	2.857	20	5		EFBDHL
O=C([N-]c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1nnc2ccccc2n1	ZINC000343845122	145307225	/nfs/dbraw/zinc/30/72/25/145307225.db2.gz	ALAMLIPBWDHRCG-UHFFFAOYSA-N	-2	3	345.702	2.544	20	5		EFBDHL
O=c1nc(C=Cc2ccc(OC(F)F)cc2)c([N+](=O)[O-])c([O-])[n-]1	ZINC000352014004	146264705	/nfs/dbraw/zinc/26/47/05/146264705.db2.gz	NNLGBELJYCWEPZ-UTCJRWHESA-N	-2	3	325.227	2.568	20	5		EFBDHL
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc([O-])c2F)c(Cl)c1	ZINC000131536948	293199614	/nfs/dbraw/zinc/19/96/14/293199614.db2.gz	FGMLWICOIRQWHW-UHFFFAOYSA-N	-2	3	346.723	2.894	20	5		EFBDHL
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cccc([O-])c1F	ZINC000131520707	293199638	/nfs/dbraw/zinc/19/96/38/293199638.db2.gz	UVFSYZTUKFPDHS-UHFFFAOYSA-N	-2	3	326.305	2.549	20	5		EFBDHL
Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cccc([O-])c2F)cc1C	ZINC000131548680	293200314	/nfs/dbraw/zinc/20/03/14/293200314.db2.gz	FQKVUUUGSGFBSG-UHFFFAOYSA-N	-2	3	340.332	2.857	20	5		EFBDHL
CCOC(=O)c1cnc(C(C)=Cc2cc([O-])ccc2[N+](=O)[O-])[n-]c1=O	ZINC000432703133	312578351	/nfs/dbraw/zinc/57/83/51/312578351.db2.gz	BOVCCWLEERLDRW-TWGQIWQCSA-N	-2	3	345.311	2.533	20	5		EFBDHL
Cc1[n-][nH]c(=NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1-c1ccccc1	ZINC000522168830	316077725	/nfs/dbraw/zinc/07/77/25/316077725.db2.gz	XHXCSGZAPVDPKL-UHFFFAOYSA-N	-2	3	338.323	2.673	20	5		EFBDHL
O=C(N=c1cc(-c2cccc(F)c2)o[n-]1)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000448537714	477185222	/nfs/dbraw/zinc/18/52/22/477185222.db2.gz	JZMKJYYLBZJWNX-UHFFFAOYSA-N	-2	3	343.270	2.769	20	5		EFBDHL
O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1cc(F)ccc1[O-]	ZINC000436927085	477637316	/nfs/dbraw/zinc/63/73/16/477637316.db2.gz	OFGCERZZWUMIRS-UHFFFAOYSA-N	-2	3	342.286	2.504	20	5		EFBDHL
Cc1c(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cccc1C(=O)[O-]	ZINC000604497385	479528730	/nfs/dbraw/zinc/52/87/30/479528730.db2.gz	VXZSESQSUUQYJJ-UHFFFAOYSA-N	-2	3	340.295	2.730	20	5		EFBDHL
O=C([O-])c1cc([N-]S(=O)(=O)/C=C/c2ccccc2)cc([N+](=O)[O-])c1	ZINC000833300437	600691387	/nfs/dbraw/zinc/69/13/87/600691387.db2.gz	NTSQKZIIYCEESN-VOTSOKGWSA-N	-2	3	348.336	2.706	20	5		EFBDHL
Cc1nc(C=Cc2ccc(Cl)c([N+](=O)[O-])c2)[n-]c(=O)c1CC(=O)[O-]	ZINC000791433799	1278101911	/nfs/dbraw/zinc/10/19/11/1278101911.db2.gz	SWPUNGSPEYRFLH-HWKANZROSA-N	-2	3	349.730	2.850	20	5		EFBDHL
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccc([O-])c2F)c1F	ZINC000131532620	1293548377	/nfs/dbraw/zinc/54/83/77/1293548377.db2.gz	MVVPWUYSHVYJNY-UHFFFAOYSA-N	-2	3	344.295	2.688	20	5		EFBDHL
CCS(=O)(=O)c1ccc([O-])c(Nc2cc([O-])cc([N+](=O)[O-])c2)c1	ZINC001199828796	1295766246	/nfs/dbraw/zinc/76/62/46/1295766246.db2.gz	SUPCEQSTNJBAGP-UHFFFAOYSA-N	-2	3	338.341	2.543	20	5		EFBDHL
O=c1c2cccc([O-])c2oc2cc([O-])cc(O[C@@H]3CCCOC3)c21	ZINC001234742169	1313187866	/nfs/dbraw/zinc/18/78/66/1313187866.db2.gz	NBVWEMLUGZXTQP-LLVKDONJSA-N	-2	3	328.320	2.915	20	5		EFBDHL
O=c1c2cccc([O-])c2oc2cc([O-])cc(O[C@@H]3CCOC[C@@H]3F)c12	ZINC001234743543	1313188057	/nfs/dbraw/zinc/18/80/57/1313188057.db2.gz	OGDYJBUZCKGWGQ-WCQYABFASA-N	-2	3	346.310	2.863	20	5		EFBDHL
C[C@H]1COC[C@@H]1Oc1cc([O-])cc2oc3c([O-])cccc3c(=O)c12	ZINC001234747298	1313188777	/nfs/dbraw/zinc/18/87/77/1313188777.db2.gz	KMHGNBQUUURJIJ-VFZGTOFNSA-N	-2	3	328.320	2.771	20	5		EFBDHL
O=c1cccc2oc3cc([O-])c(OC[C@@H]4CCCO4)cc3c([O-])c1-2	ZINC001227307217	1311791449	/nfs/dbraw/zinc/79/14/49/1311791449.db2.gz	TVJJYUBUEICQAL-JTQLQIEISA-N	-2	3	328.320	2.915	20	5		EFBDHL
COC(=O)c1ccc([C@H](C)Oc2cc([O-])cc([O-])c2[N+](=O)[O-])cc1	ZINC001228969132	1312028992	/nfs/dbraw/zinc/02/89/92/1312028992.db2.gz	ZJPIVIGODGYAET-VIFPVBQESA-N	-2	3	333.296	2.933	20	5		EFBDHL
Cc1ccc(N2CCC(Oc3cc([O-])cc([O-])c3[N+](=O)[O-])CC2)nc1	ZINC001228972654	1312029944	/nfs/dbraw/zinc/02/99/44/1312029944.db2.gz	BNFYUDOKFNGPBL-UHFFFAOYSA-N	-2	3	345.355	2.757	20	5		EFBDHL
COc1ccc2c(c1)CC[C@@H](Oc1cc([O-])cc([O-])c1[N+](=O)[O-])C2	ZINC001228975056	1312030043	/nfs/dbraw/zinc/03/00/43/1312030043.db2.gz	YCMNAGPVTPCNIR-CQSZACIVSA-N	-2	3	331.324	2.951	20	5		EFBDHL
CC[C@](CNc1cc[n-]c(=O)c1[N+](=O)[O-])(C(=O)[O-])c1ccccc1	ZINC001595173015	979748376	/nfs/dbraw/zinc/74/83/76/979748376.db2.gz	XDHAWKWBYXYGBQ-MRXNPFEDSA-N	-2	3	331.328	2.540	20	5		EFBDHL
O=[N+]([O-])c1ccc([O-])cc1CSc1cccc(-c2nn[n-]n2)c1	ZINC001593481329	1094325554	/nfs/dbraw/zinc/32/55/54/1094325554.db2.gz	GRKACIQFRNEFTC-UHFFFAOYSA-N	-2	3	329.341	2.773	20	5		EFBDHL
O=C([O-])/C=C\c1ccc(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)o1	ZINC001601876951	1095949323	/nfs/dbraw/zinc/94/93/23/1095949323.db2.gz	IRVHQFDTOPEZAS-RQOWECAXSA-N	-2	3	338.222	2.816	20	5		EFBDHL
C[C@@H](Nc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c1nc(C(F)(F)F)n[n-]1	ZINC001604361633	1096828479	/nfs/dbraw/zinc/82/84/79/1096828479.db2.gz	ATWBQTMURFFQOK-RXMQYKEDSA-N	-2	3	345.237	2.603	20	5		EFBDHL
C[C@H](Nc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c1nc(C(F)(F)F)n[n-]1	ZINC001604361636	1096829043	/nfs/dbraw/zinc/82/90/43/1096829043.db2.gz	ATWBQTMURFFQOK-YFKPBYRVSA-N	-2	3	345.237	2.603	20	5		EFBDHL
CCc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C	ZINC000089289587	217782931	/nfs/dbraw/zinc/78/29/31/217782931.db2.gz	CWIOAQJDLVFODO-UHFFFAOYSA-N	-2	3	336.369	2.972	20	5		EFBDHL
CCN=c1[n-]c(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])cs1	ZINC000351784134	146202871	/nfs/dbraw/zinc/20/28/71/146202871.db2.gz	VFFZSZNACOFJCL-UHFFFAOYSA-N	-2	3	342.764	2.516	20	5		EFBDHL
O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]c1cccc([O-])c1F	ZINC000131546080	293200203	/nfs/dbraw/zinc/20/02/03/293200203.db2.gz	JZCJZKFIQVGFOI-UHFFFAOYSA-N	-2	3	346.723	2.894	20	5		EFBDHL
CCc1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1C	ZINC000323959747	311240781	/nfs/dbraw/zinc/24/07/81/311240781.db2.gz	ZOAAYFAPRYIMKY-UHFFFAOYSA-N	-2	3	336.369	2.972	20	5		EFBDHL
Cc1ccc(-c2nc([N-]C(=O)c3ccc([N+](=O)[O-])cc3F)n[n-]2)o1	ZINC000160233015	473099148	/nfs/dbraw/zinc/09/91/48/473099148.db2.gz	JGMBMYMRDGEFHI-UHFFFAOYSA-N	-2	3	331.263	2.673	20	5		EFBDHL
O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1ccc([O-])c(F)c1	ZINC000613559536	480037287	/nfs/dbraw/zinc/03/72/87/480037287.db2.gz	XDPQKGBIEBUDOL-UHFFFAOYSA-N	-2	3	342.286	2.504	20	5		EFBDHL
Cc1c([N-]S(=O)(=O)CCC(C)(C)C)cc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000600661470	478458097	/nfs/dbraw/zinc/45/80/97/478458097.db2.gz	YPZBEHAAZSCZAW-UHFFFAOYSA-N	-2	3	344.389	2.779	20	5		EFBDHL
Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cccc([O-])c2F)c1	ZINC000543664732	478764612	/nfs/dbraw/zinc/76/46/12/478764612.db2.gz	SNGRRWXMYRUYAW-UHFFFAOYSA-N	-2	3	340.332	2.857	20	5		EFBDHL
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(C3CC3)cc2)ccc1[O-]	ZINC000611305066	479345172	/nfs/dbraw/zinc/34/51/72/479345172.db2.gz	HPEPZENDIZZSGJ-UHFFFAOYSA-N	-2	3	334.353	2.979	20	5		EFBDHL
O=c1ccc(O)c2oc3cc([O-])cc(OC[C@@H]4CCCO4)c3c([O-])c1-2	ZINC001234125142	1313061755	/nfs/dbraw/zinc/06/17/55/1313061755.db2.gz	NJEAVEPSCZOODC-JTQLQIEISA-N	-2	3	344.319	2.621	20	5		EFBDHL
O=c1c2cccc([O-])c2oc2cc([O-])cc(OC3CC4(COC4)C3)c12	ZINC001234741199	1313187802	/nfs/dbraw/zinc/18/78/02/1313187802.db2.gz	GVMPBJTXYWYHAJ-UHFFFAOYSA-N	-2	3	340.331	2.915	20	5		EFBDHL
CC(C)N1CC(Oc2cc([O-])cc3oc4c([O-])cccc4c(=O)c23)C1	ZINC001234746403	1313188027	/nfs/dbraw/zinc/18/80/27/1313188027.db2.gz	CVRLFKVOIYCCQV-UHFFFAOYSA-N	-2	3	341.363	2.829	20	5		EFBDHL
COC[C@H](C)Oc1cc([O-])cc2oc3c(ccc([O-])c3OC)c(=O)c12	ZINC001234749642	1313188515	/nfs/dbraw/zinc/18/85/15/1313188515.db2.gz	RUBRJZAPRJEDIE-VIFPVBQESA-N	-2	3	346.335	2.780	20	5		EFBDHL
CCO[C@@H](C)COc1c([O-])ccc2c([O-])c3c(=O)cc(O)cc-3oc21	ZINC001234750455	1313188906	/nfs/dbraw/zinc/18/89/06/1313188906.db2.gz	JUKLBGRQBQTZTG-VIFPVBQESA-N	-2	3	346.335	2.867	20	5		EFBDHL
COc1c([O-])ccc2c(=O)c3c(O[C@@H]4CCOC4)cc([O-])cc3oc21	ZINC001234747353	1313189130	/nfs/dbraw/zinc/18/91/30/1313189130.db2.gz	AAOBSDSIFWPPDS-SNVBAGLBSA-N	-2	3	344.319	2.534	20	5		EFBDHL
COC[C@H](C)Oc1cc2c(cc1[O-])oc1cc([O-])cc(OC)c1c2=O	ZINC001234799740	1313193117	/nfs/dbraw/zinc/19/31/17/1313193117.db2.gz	UGBKQQAYTPKVJO-VIFPVBQESA-N	-2	3	346.335	2.780	20	5		EFBDHL
COc1cc([O-])cc2oc3cc([O-])c(O[C@H](C)C(C)=O)cc3c(=O)c12	ZINC001234800683	1313193389	/nfs/dbraw/zinc/19/33/89/1313193389.db2.gz	KJALEJJNUZTJNI-SECBINFHSA-N	-2	3	344.319	2.722	20	5		EFBDHL
Cc1nc(C=Cc2ccc([N+](=O)[O-])c(Cl)c2)[n-]c(=O)c1CC(=O)[O-]	ZINC000794713182	1303036888	/nfs/dbraw/zinc/03/68/88/1303036888.db2.gz	KYNQTVHQWFTPQQ-HWKANZROSA-N	-2	3	349.730	2.850	20	5		EFBDHL
Cc1nc(C=Cc2cc(Cl)ccc2[N+](=O)[O-])[n-]c(=O)c1CC(=O)[O-]	ZINC000794713214	1303037316	/nfs/dbraw/zinc/03/73/16/1303037316.db2.gz	LNIBLMYJNGOZGZ-GORDUTHDSA-N	-2	3	349.730	2.850	20	5		EFBDHL
O=[N+]([O-])c1ccccc1[C@H](OCCP(=O)([O-])[O-])c1ccccc1	ZINC001224601537	1311412688	/nfs/dbraw/zinc/41/26/88/1311412688.db2.gz	HYXZTPWBXPYHDR-OAHLLOKOSA-N	-2	3	337.268	2.879	20	5		EFBDHL
CC(C)Oc1cc(COc2cc([O-])cc([O-])c2[N+](=O)[O-])cnc1F	ZINC001228974661	1312030362	/nfs/dbraw/zinc/03/03/62/1312030362.db2.gz	VOWQZELSAFJGGW-UHFFFAOYSA-N	-2	3	338.291	2.906	20	5		EFBDHL
CCOC(=O)[C@H]1CCC[C@@H](Oc2cc([O-])cc([O-])c2[N+](=O)[O-])C1	ZINC001228975290	1312030421	/nfs/dbraw/zinc/03/04/21/1312030421.db2.gz	ZDWHZYSETRJNFD-GXSJLCMTSA-N	-2	3	325.317	2.507	20	5		EFBDHL
Cc1nc(OC(=C([O-])c2ccco2)c2ccco2)c([N+](=O)[O-])c(=O)[n-]1	ZINC001229380830	1312086053	/nfs/dbraw/zinc/08/60/53/1312086053.db2.gz	LQLKQDWKKXMZGZ-CYBMUJFWSA-N	-2	3	345.267	2.588	20	5		EFBDHL
O=C([O-])c1cc(F)cc([N-]C(=O)c2ccc([N+](=O)[O-])s2)c1F	ZINC001601593030	1095749365	/nfs/dbraw/zinc/74/93/65/1095749365.db2.gz	RSSVQTXJYPJUOG-UHFFFAOYSA-N	-2	3	328.252	2.885	20	5		EFBDHL
CCSc1nnc([N-]C(=O)c2cc([O-])ccc2[N+](=O)[O-])s1	ZINC000350700359	146081846	/nfs/dbraw/zinc/08/18/46/146081846.db2.gz	NKEDCMCFAPVGIA-UHFFFAOYSA-N	-2	3	326.359	2.516	20	5		EFBDHL
Cc1cc(Br)c([O-])c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1	ZINC000351574004	146149395	/nfs/dbraw/zinc/14/93/95/146149395.db2.gz	LTOVQYXLOYXLNY-UHFFFAOYSA-N	-2	3	340.133	2.952	20	5		EFBDHL
O=c1cc(C=Cc2ccc([N+](=O)[O-])c([O-])c2)nc(-c2ccncc2)[n-]1	ZINC000352021068	146267082	/nfs/dbraw/zinc/26/70/82/146267082.db2.gz	MIYNGDUJCMGFNP-HNQUOIGGSA-N	-2	3	336.307	2.616	20	5		EFBDHL
Cc1ccccc1-c1cc(=NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)[nH][n-]1	ZINC000356501814	147262124	/nfs/dbraw/zinc/26/21/24/147262124.db2.gz	CAYMOVUJVMKNFZ-UHFFFAOYSA-N	-2	3	338.323	2.673	20	5		EFBDHL
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc([O-])c1F	ZINC000131528421	293199602	/nfs/dbraw/zinc/19/96/02/293199602.db2.gz	ASZSBSYZRWXSAJ-UHFFFAOYSA-N	-2	3	340.332	2.803	20	5		EFBDHL
CC(C)(C)CCCS(=O)(=O)[N-]c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000572885585	319713560	/nfs/dbraw/zinc/71/35/60/319713560.db2.gz	GKAFNGLGNMUEBG-UHFFFAOYSA-N	-2	3	344.389	2.861	20	5		EFBDHL
CCCC[C@@H](Sc1nc2ccc([N+](=O)[O-])cc2c(=O)[n-]1)C(=O)[O-]	ZINC000577747485	320141126	/nfs/dbraw/zinc/14/11/26/320141126.db2.gz	ZBDFFTIVFNWTPY-LLVKDONJSA-N	-2	3	337.357	2.979	20	5		EFBDHL
O=C([N-]c1nnc(C2CC2)s1)c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000580568043	324191164	/nfs/dbraw/zinc/19/11/64/324191164.db2.gz	SYVDTJRSYQBOIV-UHFFFAOYSA-N	-2	3	340.748	2.935	20	5		EFBDHL
O=C([N-]c1cc([N+](=O)[O-])ccc1[O-])c1ncc(Br)s1	ZINC000189354748	474370128	/nfs/dbraw/zinc/37/01/28/474370128.db2.gz	ILMGABBVBOQKSG-UHFFFAOYSA-N	-2	3	344.146	2.772	20	5		EFBDHL
COc1cc(CNc2cccc(C(=O)[O-])c2C)c([N+](=O)[O-])cc1[O-]	ZINC000340684328	476203427	/nfs/dbraw/zinc/20/34/27/476203427.db2.gz	XMPMDDTYXRLOEJ-UHFFFAOYSA-N	-2	3	332.312	2.928	20	5		EFBDHL
COc1cc(/C=C/c2ncc([N+](=O)[O-])cc2C(=O)[O-])cc(OC)c1[O-]	ZINC000436738681	477576185	/nfs/dbraw/zinc/57/61/85/477576185.db2.gz	MKZDTPFGXWAQRC-ONEGZZNKSA-N	-2	3	346.295	2.581	20	5		EFBDHL
CC(=O)c1ccc([O-])c(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c1	ZINC000436875007	477621030	/nfs/dbraw/zinc/62/10/30/477621030.db2.gz	BPSMKDWTBOTDEW-UHFFFAOYSA-N	-2	3	340.295	2.632	20	5		EFBDHL
O=c1cc(C=Cc2ccc([O-])c([N+](=O)[O-])c2)nc(-c2ccncc2)[n-]1	ZINC000436936839	477641949	/nfs/dbraw/zinc/64/19/49/477641949.db2.gz	ZRAPXAGXXXSAPU-HNQUOIGGSA-N	-2	3	336.307	2.616	20	5		EFBDHL
CCC[C@H](CC)S(=O)(=O)[N-]c1cc(C(=O)[O-])cc([N+](=O)[O-])c1C	ZINC000600658379	478457843	/nfs/dbraw/zinc/45/78/43/478457843.db2.gz	MNFGTLIHIZBBIB-NSHDSACASA-N	-2	3	344.389	2.922	20	5		EFBDHL
CCc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)cc1	ZINC000508218011	478936500	/nfs/dbraw/zinc/93/65/00/478936500.db2.gz	HARYMYRFGPQEOV-UHFFFAOYSA-N	-2	3	336.369	2.972	20	5		EFBDHL
CCc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)c1	ZINC000508226356	478936641	/nfs/dbraw/zinc/93/66/41/478936641.db2.gz	NSTPXXQAYRNTSO-UHFFFAOYSA-N	-2	3	336.369	2.972	20	5		EFBDHL
O=C([O-])[C@@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])C[C@H]1c1ccccc1	ZINC000593289551	479278222	/nfs/dbraw/zinc/27/82/22/479278222.db2.gz	YDUMJWZEODYZHR-JKSUJKDBSA-N	-2	3	342.351	2.601	20	5		EFBDHL
O=C(Nc1ccc(Br)cc1[O-])c1ccc([N+](=O)[O-])[n-]1	ZINC000604104502	479472985	/nfs/dbraw/zinc/47/29/85/479472985.db2.gz	NZCUHGOZKBUFAB-UHFFFAOYSA-N	-2	3	326.106	2.643	20	5		EFBDHL
CC[C@@H](COC)Oc1c([O-])ccc2c([O-])c3c(=O)cc(O)cc-3oc21	ZINC001234751181	1313189135	/nfs/dbraw/zinc/18/91/35/1313189135.db2.gz	SNNQMUDUZSEPCZ-JTQLQIEISA-N	-2	3	346.335	2.867	20	5		EFBDHL
COc1cc([O-])cc2oc3cc([O-])c(OC[C@@H](C)OC)cc3c(=O)c12	ZINC001234801542	1313193082	/nfs/dbraw/zinc/19/30/82/1313193082.db2.gz	SNQOJKIQKYRZNC-SECBINFHSA-N	-2	3	346.335	2.780	20	5		EFBDHL
COc1cc([O-])cc2oc3cc([O-])c(OC[C@H]4CCO4)cc3c(=O)c12	ZINC001234801107	1313193193	/nfs/dbraw/zinc/19/31/93/1313193193.db2.gz	OHNCAAOOSFMEJZ-SNVBAGLBSA-N	-2	3	344.319	2.534	20	5		EFBDHL
COc1cc([O-])cc2oc3cc([O-])c(O[C@@H](C)C(C)=O)cc3c(=O)c12	ZINC001234800684	1313193249	/nfs/dbraw/zinc/19/32/49/1313193249.db2.gz	KJALEJJNUZTJNI-VIFPVBQESA-N	-2	3	344.319	2.722	20	5		EFBDHL
Cc1nc(C=Cc2cc(Cl)ccc2[N+](=O)[O-])[n-]c(=O)c1CC(=O)[O-]	ZINC000794713213	1303036615	/nfs/dbraw/zinc/03/66/15/1303036615.db2.gz	LNIBLMYJNGOZGZ-DJWKRKHSSA-N	-2	3	349.730	2.850	20	5		EFBDHL
COc1cccc2c1[C@@H](Oc1cc([O-])cc([O-])c1[N+](=O)[O-])CCO2	ZINC001228969761	1312028956	/nfs/dbraw/zinc/02/89/56/1312028956.db2.gz	CBYHIUMWTQTVNQ-ZDUSSCGKSA-N	-2	3	333.296	2.917	20	5		EFBDHL
COC(=O)C[C@@H]1CCC[C@H](Oc2cc([O-])cc([O-])c2[N+](=O)[O-])C1	ZINC001228972635	1312030096	/nfs/dbraw/zinc/03/00/96/1312030096.db2.gz	BDIIUDKJDIQFIK-KOLCDFICSA-N	-2	3	325.317	2.507	20	5		EFBDHL
COC(=O)C[C@H]1CCC[C@@H](Oc2cc([O-])cc([O-])c2[N+](=O)[O-])C1	ZINC001228972634	1312030133	/nfs/dbraw/zinc/03/01/33/1312030133.db2.gz	BDIIUDKJDIQFIK-GXSJLCMTSA-N	-2	3	325.317	2.507	20	5		EFBDHL
CC(C)Oc1cc(COc2cc([O-])cc([O-])c2[N+](=O)[O-])c(F)cn1	ZINC001228973515	1312030447	/nfs/dbraw/zinc/03/04/47/1312030447.db2.gz	KDRKLAWLYJHKFS-UHFFFAOYSA-N	-2	3	338.291	2.906	20	5		EFBDHL
Cc1cc(=O)[n-]c(CSCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])n1	ZINC001600285240	1094944764	/nfs/dbraw/zinc/94/47/64/1094944764.db2.gz	FRWHXWMSJSMAOJ-UHFFFAOYSA-N	-2	3	335.341	2.530	20	5		EFBDHL
O=C([O-])c1ccc2c(c1)[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])CCC2	ZINC001608919589	1098072301	/nfs/dbraw/zinc/07/23/01/1098072301.db2.gz	XRYFTKDQXFUTPD-LBPRGKRZSA-N	-2	3	343.339	2.926	20	5		EFBDHL
O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000193785052	240126439	/nfs/dbraw/zinc/12/64/39/240126439.db2.gz	KCPZRGCYGJYXOD-UHFFFAOYSA-N	-2	3	344.110	2.960	20	5		EFBDHL
O=c1nc(C=Cc2csc(Br)c2)c([N+](=O)[O-])c([O-])[n-]1	ZINC000352013635	146263770	/nfs/dbraw/zinc/26/37/70/146263770.db2.gz	LGZBICYBSWXENC-OWOJBTEDSA-N	-2	3	344.146	2.790	20	5		EFBDHL
Cc1cc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)ccc1F	ZINC000102195847	472566974	/nfs/dbraw/zinc/56/69/74/472566974.db2.gz	PDJIDRAAZYJHQZ-UHFFFAOYSA-N	-2	3	326.305	2.549	20	5		EFBDHL
CCc1nnsc1C(=O)[N-]c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000186031120	473575397	/nfs/dbraw/zinc/57/53/97/473575397.db2.gz	FCOPDOOBECZTMS-UHFFFAOYSA-N	-2	3	328.737	2.620	20	5		EFBDHL
Cc1cc(S(=O)(=O)[N-]c2cccc([O-])c2F)ccc1[N+](=O)[O-]	ZINC000179332011	473674644	/nfs/dbraw/zinc/67/46/44/473674644.db2.gz	UKPLAXLXXPBQDE-UHFFFAOYSA-N	-2	3	326.305	2.549	20	5		EFBDHL
O=C([N-]c1n[n-]c(C(F)(F)F)n1)c1cc2cc([N+](=O)[O-])ccc2o1	ZINC000338363882	475828516	/nfs/dbraw/zinc/82/85/16/475828516.db2.gz	KAXAEFVLWHAOPR-UHFFFAOYSA-N	-2	3	341.205	2.730	20	5		EFBDHL
COc1cccc(C(=O)[N-]c2n[n-]c(-c3ccc(C)o3)n2)c1[N+](=O)[O-]	ZINC000193268507	537088266	/nfs/dbraw/zinc/08/82/66/537088266.db2.gz	POUHGFTUFCSTOD-UHFFFAOYSA-N	-2	3	343.299	2.542	20	5		EFBDHL
O=C([N-]c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1c(F)ccnc1F	ZINC000816960593	1288341307	/nfs/dbraw/zinc/34/13/07/1288341307.db2.gz	CXZODLGLVRWGCU-UHFFFAOYSA-N	-2	3	329.646	2.879	20	5		EFBDHL
O=c1c2cccc([O-])c2oc2cc([O-])cc(O[C@H]3CCOC[C@@H]3F)c12	ZINC001234743539	1313187822	/nfs/dbraw/zinc/18/78/22/1313187822.db2.gz	OGDYJBUZCKGWGQ-AAEUAGOBSA-N	-2	3	346.310	2.863	20	5		EFBDHL
O=c1c2cccc([O-])c2oc2cc([O-])cc(OC3CCOCC3)c21	ZINC001234747187	1313188582	/nfs/dbraw/zinc/18/85/82/1313188582.db2.gz	IKKVVBPEYPSHAQ-UHFFFAOYSA-N	-2	3	328.320	2.915	20	5		EFBDHL
COc1c([O-])ccc2c(=O)c3c(OC[C@@H]4CCO4)cc([O-])cc3oc21	ZINC001234750336	1313189117	/nfs/dbraw/zinc/18/91/17/1313189117.db2.gz	XVPYPQBZNQINHH-JTQLQIEISA-N	-2	3	344.319	2.534	20	5		EFBDHL
O=c1cc(O)cc2oc3c(ccc([O-])c3OC3CCOCC3)c([O-])c1-2	ZINC001234752731	1313189524	/nfs/dbraw/zinc/18/95/24/1313189524.db2.gz	IUKHZWIMSFAPMD-UHFFFAOYSA-N	-2	3	344.319	2.621	20	5		EFBDHL
CCOC(=O)[C@H](C)Oc1cc2c([O-])c3c(=O)cccc-3oc2cc1[O-]	ZINC001227306743	1311791554	/nfs/dbraw/zinc/79/15/54/1311791554.db2.gz	MSCNEVRRJMPIGD-VIFPVBQESA-N	-2	3	344.319	2.688	20	5		EFBDHL
C[C@H]1COC[C@@H]1Oc1cc2c([O-])c3c(=O)cccc-3oc2cc1[O-]	ZINC001227305906	1311791702	/nfs/dbraw/zinc/79/17/02/1311791702.db2.gz	BVNJCEMPHWESTR-FVMDXXJSSA-N	-2	3	328.320	2.771	20	5		EFBDHL
COC(=O)C[C@@H](C)Oc1cc2c([O-])c3c(=O)cccc-3oc2cc1[O-]	ZINC001227306403	1311791744	/nfs/dbraw/zinc/79/17/44/1311791744.db2.gz	JRSQRAQLDVWEFR-SECBINFHSA-N	-2	3	344.319	2.688	20	5		EFBDHL
CC(C)C[C@H](Oc1cc([O-])cc([O-])c1[N+](=O)[O-])C(=O)OC(C)C	ZINC001228970159	1312028859	/nfs/dbraw/zinc/02/88/59/1312028859.db2.gz	GKUGMAVLDWSENQ-ZDUSSCGKSA-N	-2	3	327.333	2.751	20	5		EFBDHL
CCCCOC[C@@H](C)OC[C@H](C)Oc1cc([O-])cc([O-])c1[N+](=O)[O-]	ZINC001228972655	1312029881	/nfs/dbraw/zinc/02/98/81/1312029881.db2.gz	BRQLPDYTMMGTDY-NEPJUHHUSA-N	-2	3	343.376	2.995	20	5		EFBDHL
C[C@@H](Oc1cc([O-])cc([O-])c1[N+](=O)[O-])c1cc(Br)no1	ZINC001228973725	1312029950	/nfs/dbraw/zinc/02/99/50/1312029950.db2.gz	LYNNWINRHPHIIS-RXMQYKEDSA-N	-2	3	345.105	2.897	20	5		EFBDHL
CC(C)(C)C(=O)OC1CC(Oc2cc([O-])cc([O-])c2[N+](=O)[O-])C1	ZINC001228972268	1312030169	/nfs/dbraw/zinc/03/01/69/1312030169.db2.gz	VDAVTQCABRDJRD-UHFFFAOYSA-N	-2	3	325.317	2.505	20	5		EFBDHL
CCOC(=O)[C@H]1CCC[C@H](Oc2cc([O-])cc([O-])c2[N+](=O)[O-])C1	ZINC001228975295	1312030498	/nfs/dbraw/zinc/03/04/98/1312030498.db2.gz	ZDWHZYSETRJNFD-ONGXEEELSA-N	-2	3	325.317	2.507	20	5		EFBDHL
O=C([O-])c1cc([N-]C(=O)c2conc2C(F)(F)F)cc([N+](=O)[O-])c1	ZINC001602285952	1096161771	/nfs/dbraw/zinc/16/17/71/1096161771.db2.gz	FDXPKNFEOHCDME-UHFFFAOYSA-N	-2	3	345.189	2.552	20	5		EFBDHL
O=c1nc(C=Cc2nc3ccc(F)cc3s2)c([N+](=O)[O-])c([O-])[n-]1	ZINC000352012540	146264417	/nfs/dbraw/zinc/26/44/17/146264417.db2.gz	BMQVHKCLFAJACI-ONEGZZNKSA-N	-2	3	334.288	2.715	20	5		EFBDHL
O=c1nc(C=Cc2cc(Br)cs2)c([N+](=O)[O-])c([O-])[n-]1	ZINC000352013973	146265562	/nfs/dbraw/zinc/26/55/62/146265562.db2.gz	NDWCCMXHFJSHOJ-UPHRSURJSA-N	-2	3	344.146	2.790	20	5		EFBDHL
O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1c([O-])cccc1[O-]	ZINC000125750547	293015781	/nfs/dbraw/zinc/01/57/81/293015781.db2.gz	UFKWHKHOPAKZMQ-UHFFFAOYSA-N	-2	3	340.295	2.648	20	5		EFBDHL
CCC[C@H](CC)S(=O)(=O)[N-]c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000563225506	318756806	/nfs/dbraw/zinc/75/68/06/318756806.db2.gz	PWSDGVFJMGABMM-LBPRGKRZSA-N	-2	3	330.362	2.613	20	5		EFBDHL
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccc3c2CCCC3)ccc1[O-]	ZINC000032798172	472468769	/nfs/dbraw/zinc/46/87/69/472468769.db2.gz	FBDFSZUXYZKKCE-UHFFFAOYSA-N	-2	3	348.380	2.980	20	5		EFBDHL
Cc1ccc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)c([N+](=O)[O-])c1	ZINC000131418824	472670136	/nfs/dbraw/zinc/67/01/36/472670136.db2.gz	NQWIHBXLZKEDSM-UHFFFAOYSA-N	-2	3	326.305	2.549	20	5		EFBDHL
Cc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)c1F	ZINC000180015425	473777012	/nfs/dbraw/zinc/77/70/12/473777012.db2.gz	PAZLGIYAKYFOIY-UHFFFAOYSA-N	-2	3	340.332	2.857	20	5		EFBDHL
Cc1ccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc1[N+](=O)[O-]	ZINC000347411599	475306023	/nfs/dbraw/zinc/30/60/23/475306023.db2.gz	BISNYRNCSMYRDG-AATRIKPKSA-N	-2	3	329.312	2.505	20	5		EFBDHL
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)CCC2	ZINC000337764862	475306331	/nfs/dbraw/zinc/30/63/31/475306331.db2.gz	GJRQCPGCHRFYSI-UHFFFAOYSA-N	-2	3	348.380	2.898	20	5		EFBDHL
O=C(Nc1cc(Br)ccc1[O-])c1ccc([N+](=O)[O-])[n-]1	ZINC000340313343	475938932	/nfs/dbraw/zinc/93/89/32/475938932.db2.gz	VUHBUCWLLRGFNW-UHFFFAOYSA-N	-2	3	326.106	2.643	20	5		EFBDHL
O=c1cc(C=Cc2ccc([O-])c([N+](=O)[O-])c2)nc(-c2ccncc2)[n-]1	ZINC000436936840	477641456	/nfs/dbraw/zinc/64/14/56/477641456.db2.gz	ZRAPXAGXXXSAPU-IWQZZHSRSA-N	-2	3	336.307	2.616	20	5		EFBDHL
Cc1cc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)ccc1C(=O)[O-]	ZINC000237829783	525260130	/nfs/dbraw/zinc/26/01/30/525260130.db2.gz	VVDBTFHZWSEPAA-UHFFFAOYSA-N	-2	3	340.295	2.730	20	5		EFBDHL
O=c1ccc(O)c2oc3cc([O-])cc(OC[C@H]4CCCO4)c3c([O-])c1-2	ZINC001234125144	1313061831	/nfs/dbraw/zinc/06/18/31/1313061831.db2.gz	NJEAVEPSCZOODC-SNVBAGLBSA-N	-2	3	344.319	2.621	20	5		EFBDHL
O=c1cc(O)cc2oc3c(ccc([O-])c3O[C@@H]3CCCOC3)c([O-])c1-2	ZINC001234750721	1313188594	/nfs/dbraw/zinc/18/85/94/1313188594.db2.gz	NISKCXXITWKMAR-SNVBAGLBSA-N	-2	3	344.319	2.621	20	5		EFBDHL
CN1CCC[C@H](Oc2cc3c([O-])c4c(=O)cccc-4oc3cc2[O-])C1	ZINC001227306682	1311791778	/nfs/dbraw/zinc/79/17/78/1311791778.db2.gz	LSMKXNYXKAKZJS-NSHDSACASA-N	-2	3	341.363	2.830	20	5		EFBDHL
O=c1cccc2oc3cc([O-])c(O[C@@H]4CCOC[C@H]4F)cc3c([O-])c1-2	ZINC001227310152	1311792142	/nfs/dbraw/zinc/79/21/42/1311792142.db2.gz	TXRGKJHLHRZTOG-ZWNOBZJWSA-N	-2	3	346.310	2.863	20	5		EFBDHL
COc1ccc(OC[C@@H](C)Oc2cc([O-])cc([O-])c2[N+](=O)[O-])cc1	ZINC001228975021	1312030069	/nfs/dbraw/zinc/03/00/69/1312030069.db2.gz	XGIKZOPHMKAASO-SNVBAGLBSA-N	-2	3	335.312	2.861	20	5		EFBDHL
CCOC(=O)[C@@H]1CCC[C@@H](Oc2cc([O-])cc([O-])c2[N+](=O)[O-])C1	ZINC001228975294	1312030176	/nfs/dbraw/zinc/03/01/76/1312030176.db2.gz	ZDWHZYSETRJNFD-MWLCHTKSSA-N	-2	3	325.317	2.507	20	5		EFBDHL
Cc1ccnc(N2CCC(Oc3cc([O-])cc([O-])c3[N+](=O)[O-])CC2)c1	ZINC001228974095	1312030263	/nfs/dbraw/zinc/03/02/63/1312030263.db2.gz	PJFHFNIGVNIFFW-UHFFFAOYSA-N	-2	3	345.355	2.757	20	5		EFBDHL
COc1cc(CNc2ccc(C(=O)[O-])c(OC)c2)c([N+](=O)[O-])cc1[O-]	ZINC001599419198	997564687	/nfs/dbraw/zinc/56/46/87/997564687.db2.gz	XJCPIZJVTDMOIF-UHFFFAOYSA-N	-2	3	348.311	2.628	20	5		EFBDHL
Cc1ccc(C[C@@H](Sc2cc[n-]c(=O)c2[N+](=O)[O-])C(=O)[O-])cc1	ZINC001607775714	1097728907	/nfs/dbraw/zinc/72/89/07/1097728907.db2.gz	LVJUNIXTEVMKSV-GFCCVEGCSA-N	-2	3	334.353	2.792	20	5		EFBDHL
C[C@H](Oc1cc([O-])cc([O-])c1[N+](=O)[O-])c1cc(Br)no1	ZINC001228973765	1104248551	/nfs/dbraw/zinc/24/85/51/1104248551.db2.gz	LYNNWINRHPHIIS-YFKPBYRVSA-N	-2	3	345.105	2.897	20	5		EFBDHL
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)ccc1[O-]	ZINC000024101141	212409369	/nfs/dbraw/zinc/40/93/69/212409369.db2.gz	CINSZDKUSCNSQN-UHFFFAOYSA-N	-2	3	346.723	2.894	20	5		EFBDHL
O=C(Nc1cc(Cl)cc(Cl)c1[O-])c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000445147255	250389775	/nfs/dbraw/zinc/38/97/75/250389775.db2.gz	SJBOZUDHWXITRY-UHFFFAOYSA-N	-2	3	344.110	2.960	20	5		EFBDHL
Cc1cc(F)ccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C	ZINC000158909006	293588378	/nfs/dbraw/zinc/58/83/78/293588378.db2.gz	XSXJIEXOHPIAGE-UHFFFAOYSA-N	-2	3	340.332	2.857	20	5		EFBDHL
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1	ZINC000158904467	293588649	/nfs/dbraw/zinc/58/86/49/293588649.db2.gz	DLCKISMDHHSHKZ-UHFFFAOYSA-N	-2	3	326.305	2.549	20	5		EFBDHL
Cc1[n-][nH]c(=NC(=O)c2cccc([N+](=O)[O-])c2[O-])c1-c1ccccc1	ZINC000531770169	317311068	/nfs/dbraw/zinc/31/10/68/317311068.db2.gz	GLYOLLMMKDRBPL-UHFFFAOYSA-N	-2	3	338.323	2.673	20	5		EFBDHL
Cc1[n-][nH]c(=NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c1-c1ccccc1	ZINC000548513887	318116232	/nfs/dbraw/zinc/11/62/32/318116232.db2.gz	GBJRGEFRCNFLJH-UHFFFAOYSA-N	-2	3	338.323	2.673	20	5		EFBDHL
O=C([O-])c1cc([N-]S(=O)(=O)CCC2CCCC2)cc([N+](=O)[O-])c1	ZINC000565406461	318967094	/nfs/dbraw/zinc/96/70/94/318967094.db2.gz	DCICTWXITAYETQ-UHFFFAOYSA-N	-2	3	342.373	2.615	20	5		EFBDHL
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccc(Cl)c2F)ccc1[O-]	ZINC000036321221	472001591	/nfs/dbraw/zinc/00/15/91/472001591.db2.gz	BEEVDPXFBCRGHS-UHFFFAOYSA-N	-2	3	346.723	2.894	20	5		EFBDHL
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)ccc1[O-]	ZINC000102195089	472566735	/nfs/dbraw/zinc/56/67/35/472566735.db2.gz	HLKZMJQWTRTTFR-UHFFFAOYSA-N	-2	3	348.258	2.519	20	5		EFBDHL
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)ccc1F	ZINC000158907036	472978277	/nfs/dbraw/zinc/97/82/77/472978277.db2.gz	TWQSWSAZHDNBTN-UHFFFAOYSA-N	-2	3	344.295	2.688	20	5		EFBDHL
O=C(/C=C/c1cncc([O-])c1)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000182182872	474117306	/nfs/dbraw/zinc/11/73/06/474117306.db2.gz	BZHXAELLEZKPDT-OWOJBTEDSA-N	-2	3	335.703	2.706	20	5		EFBDHL
CCC[C@@H](CC)S(=O)(=O)[N-]c1cc(C(=O)[O-])cc([N+](=O)[O-])c1C	ZINC000600658366	478458624	/nfs/dbraw/zinc/45/86/24/478458624.db2.gz	MNFGTLIHIZBBIB-LLVKDONJSA-N	-2	3	344.389	2.922	20	5		EFBDHL
CCOc1nc(C(=O)[N-]c2cc(Cl)cc([N+](=O)[O-])c2[O-])co1	ZINC000614014706	480166322	/nfs/dbraw/zinc/16/63/22/480166322.db2.gz	UPMDMNGZNZTYBC-UHFFFAOYSA-N	-2	3	327.680	2.593	20	5		EFBDHL
C[C@H](O)c1ncc(C(=O)[N-]c2cc(Cl)cc([N+](=O)[O-])c2[O-])s1	ZINC000774088889	581482499	/nfs/dbraw/zinc/48/24/99/581482499.db2.gz	LTSGDUMHIBDZOH-YFKPBYRVSA-N	-2	3	343.748	2.716	20	5		EFBDHL
O=c1ccc(O)c2oc3cc([O-])cc(O[C@H]4CCCOC4)c3c([O-])c1-2	ZINC001234124471	1313061437	/nfs/dbraw/zinc/06/14/37/1313061437.db2.gz	JMZDWFCMOCHTNP-JTQLQIEISA-N	-2	3	344.319	2.621	20	5		EFBDHL
CC[C@H](COc1cc([O-])cc2oc3c(O)ccc(=O)c-3c([O-])c12)OC	ZINC001234125238	1313061451	/nfs/dbraw/zinc/06/14/51/1313061451.db2.gz	PJTXDUKFERTGHY-SNVBAGLBSA-N	-2	3	346.335	2.867	20	5		EFBDHL
O=c1c2cccc([O-])c2oc2cc([O-])cc(O[C@H]3CCOC[C@H]3F)c12	ZINC001234743546	1313187707	/nfs/dbraw/zinc/18/77/07/1313187707.db2.gz	OGDYJBUZCKGWGQ-YPMHNXCESA-N	-2	3	346.310	2.863	20	5		EFBDHL
O=c1c2cccc([O-])c2oc2cc([O-])cc(O[C@@H]3CCOC[C@H]3F)c12	ZINC001234743541	1313188039	/nfs/dbraw/zinc/18/80/39/1313188039.db2.gz	OGDYJBUZCKGWGQ-DGCLKSJQSA-N	-2	3	346.310	2.863	20	5		EFBDHL
COc1c([O-])ccc2c(=O)c3c(O[C@H](C)C(C)=O)cc([O-])cc3oc21	ZINC001234749543	1313188500	/nfs/dbraw/zinc/18/85/00/1313188500.db2.gz	QDLXQDKSELCDDW-SECBINFHSA-N	-2	3	344.319	2.722	20	5		EFBDHL
CCOC[C@@H](C)Oc1c([O-])ccc2c([O-])c3c(=O)cc(O)cc-3oc21	ZINC001234749941	1313189078	/nfs/dbraw/zinc/18/90/78/1313189078.db2.gz	GRTODMANODJMGW-SECBINFHSA-N	-2	3	346.335	2.867	20	5		EFBDHL
COc1cc([O-])cc2oc3cc([O-])c(O[C@@H]4CCOC4)cc3c(=O)c12	ZINC001234798666	1313193364	/nfs/dbraw/zinc/19/33/64/1313193364.db2.gz	IZRAARZVWIADGX-SNVBAGLBSA-N	-2	3	344.319	2.534	20	5		EFBDHL
CC/C=C\CCOC(=O)[C@H](C)Oc1cc([O-])cc([O-])c1[N+](=O)[O-]	ZINC001228970922	1312029696	/nfs/dbraw/zinc/02/96/96/1312029696.db2.gz	LCLPZANABHTOLN-LWTINBJPSA-N	-2	3	325.317	2.673	20	5		EFBDHL
CCCCOC[C@H](C)OC[C@H](C)Oc1cc([O-])cc([O-])c1[N+](=O)[O-]	ZINC001228972657	1312030002	/nfs/dbraw/zinc/03/00/02/1312030002.db2.gz	BRQLPDYTMMGTDY-RYUDHWBXSA-N	-2	3	343.376	2.995	20	5		EFBDHL
CC(C)[C@H](Oc1cc([O-])cc([O-])c1[N+](=O)[O-])C(=O)OC(C)(C)C	ZINC001228972375	1312030229	/nfs/dbraw/zinc/03/02/29/1312030229.db2.gz	WUMCWWLEXYAAKG-ZDUSSCGKSA-N	-2	3	327.333	2.751	20	5		EFBDHL
CCCCOC[C@@H](C)OC[C@@H](C)Oc1cc([O-])cc([O-])c1[N+](=O)[O-]	ZINC001228972658	1312030385	/nfs/dbraw/zinc/03/03/85/1312030385.db2.gz	BRQLPDYTMMGTDY-VXGBXAGGSA-N	-2	3	343.376	2.995	20	5		EFBDHL
CC(C)c1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c(C(=O)[O-])c1	ZINC001591967523	976564732	/nfs/dbraw/zinc/56/47/32/976564732.db2.gz	DIZHVCLVPDWPNH-UHFFFAOYSA-N	-2	3	345.311	2.769	20	5		EFBDHL
CC(C)c1nc([N-]C(=O)c2ccc([N+](=O)[O-])o2)sc1C(=O)[O-]	ZINC001592028339	976726414	/nfs/dbraw/zinc/72/64/14/976726414.db2.gz	CFLMBYDXSWTCLE-UHFFFAOYSA-N	-2	3	325.302	2.718	20	5		EFBDHL
Cc1c([N-]C(=O)c2ocnc2C(F)F)cc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC001607551370	1097659115	/nfs/dbraw/zinc/65/91/15/1097659115.db2.gz	KGGJDEXDSURBEF-UHFFFAOYSA-N	-2	3	341.226	2.779	20	5		EFBDHL
O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000444996248	250373526	/nfs/dbraw/zinc/37/35/26/250373526.db2.gz	ACPHMQIMTLNTHT-UHFFFAOYSA-N	-2	3	343.217	2.672	20	5		EFBDHL
COC(=O)c1ccc(C(=O)[N-]c2cc(Cl)cc([N+](=O)[O-])c2[O-])o1	ZINC000351760902	146197314	/nfs/dbraw/zinc/19/73/14/146197314.db2.gz	APFKWCZTQHXDJU-UHFFFAOYSA-N	-2	3	340.675	2.586	20	5		EFBDHL
O=c1nc(C=Cc2csc(Br)c2)c([N+](=O)[O-])c([O-])[n-]1	ZINC000352013636	146264247	/nfs/dbraw/zinc/26/42/47/146264247.db2.gz	LGZBICYBSWXENC-UPHRSURJSA-N	-2	3	344.146	2.790	20	5		EFBDHL
Cc1ccc(S(=O)(=O)[N-]c2cccc([O-])c2F)cc1[N+](=O)[O-]	ZINC000127887781	293084235	/nfs/dbraw/zinc/08/42/35/293084235.db2.gz	OQPPGOOJDMIGNW-UHFFFAOYSA-N	-2	3	326.305	2.549	20	5		EFBDHL
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(F)c1C	ZINC000157283405	293538660	/nfs/dbraw/zinc/53/86/60/293538660.db2.gz	QDLDVXCBYFGFHV-UHFFFAOYSA-N	-2	3	340.332	2.857	20	5		EFBDHL
Cc1ccc(F)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)c1	ZINC000158908565	293588383	/nfs/dbraw/zinc/58/83/83/293588383.db2.gz	SBAGZNHUEMBCDG-UHFFFAOYSA-N	-2	3	340.332	2.857	20	5		EFBDHL
Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc([O-])c2F)c1[N+](=O)[O-]	ZINC000189317501	474357729	/nfs/dbraw/zinc/35/77/29/474357729.db2.gz	SRDAMPVOWYOKQR-UHFFFAOYSA-N	-2	3	340.332	2.857	20	5		EFBDHL
Cc1nc(C=Cc2ccccc2[N+](=O)[O-])[n-]c(=O)c1CCC(=O)[O-]	ZINC000347387094	475286208	/nfs/dbraw/zinc/28/62/08/475286208.db2.gz	CQCMSSNCTZNNHF-VURMDHGXSA-N	-2	3	329.312	2.586	20	5		EFBDHL
Cc1ccc(C(=O)[O-])cc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21	ZINC000347401119	475297986	/nfs/dbraw/zinc/29/79/86/475297986.db2.gz	KUEPYEOOUXAGMB-UHFFFAOYSA-N	-2	3	340.295	2.730	20	5		EFBDHL
CCOc1nc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3[O-])cc2[n-]1	ZINC000346849266	475909290	/nfs/dbraw/zinc/90/92/90/475909290.db2.gz	RYYGNDOQCPDMFW-UHFFFAOYSA-N	-2	3	342.311	2.828	20	5		EFBDHL
CCOc1nc2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3[O-])ccc2[n-]1	ZINC000346849266	475909296	/nfs/dbraw/zinc/90/92/96/475909296.db2.gz	RYYGNDOQCPDMFW-UHFFFAOYSA-N	-2	3	342.311	2.828	20	5		EFBDHL
O=c1nc(C=Cc2ccc3c(c2)OCCCCO3)c([N+](=O)[O-])c([O-])[n-]1	ZINC000453032584	477149137	/nfs/dbraw/zinc/14/91/37/477149137.db2.gz	XIKQFSOWHWRRSA-HYXAFXHYSA-N	-2	3	345.311	2.518	20	5		EFBDHL
Cc1cc(F)c(S(=O)(=O)[N-]c2cccc([O-])c2F)cc1[N+](=O)[O-]	ZINC000131538520	1293548360	/nfs/dbraw/zinc/54/83/60/1293548360.db2.gz	ZNSHIKLZBUOXBQ-UHFFFAOYSA-N	-2	3	344.295	2.688	20	5		EFBDHL
O=c1c2cccc([O-])c2oc2cc([O-])cc(OC[C@H]3CCCO3)c12	ZINC001234741003	1313187884	/nfs/dbraw/zinc/18/78/84/1313187884.db2.gz	DHMIZYFUSRSGHG-LLVKDONJSA-N	-2	3	328.320	2.915	20	5		EFBDHL
O=[N+]([O-])c1ccccc1[C@@H](OCCP(=O)([O-])[O-])c1ccccc1	ZINC001224601534	1311412716	/nfs/dbraw/zinc/41/27/16/1311412716.db2.gz	HYXZTPWBXPYHDR-HNNXBMFYSA-N	-2	3	337.268	2.879	20	5		EFBDHL
CCN1CC[C@H](Oc2cc3c([O-])c4c(=O)cccc-4oc3cc2[O-])C1	ZINC001227306417	1311791335	/nfs/dbraw/zinc/79/13/35/1311791335.db2.gz	JVOTXNJSMBNIBM-NSHDSACASA-N	-2	3	341.363	2.830	20	5		EFBDHL
O=c1cccc2oc3cc([O-])c(O[C@@H]4CCCOC4)cc3c([O-])c1-2	ZINC001227305898	1311791525	/nfs/dbraw/zinc/79/15/25/1311791525.db2.gz	BTAGJQDQGXDQDH-SNVBAGLBSA-N	-2	3	328.320	2.915	20	5		EFBDHL
O=c1cccc2oc3cc([O-])c(O[C@H]4CCCOC4)cc3c([O-])c1-2	ZINC001227305896	1311791790	/nfs/dbraw/zinc/79/17/90/1311791790.db2.gz	BTAGJQDQGXDQDH-JTQLQIEISA-N	-2	3	328.320	2.915	20	5		EFBDHL
CCOC(=O)[C@@H](Oc1cc([O-])cc([O-])c1[N+](=O)[O-])c1ccccc1	ZINC001228971229	1312029617	/nfs/dbraw/zinc/02/96/17/1312029617.db2.gz	MMXHUAXPXIFCKV-HNNXBMFYSA-N	-2	3	333.296	2.689	20	5		EFBDHL
CCCCOC[C@H](C)OC[C@@H](C)Oc1cc([O-])cc([O-])c1[N+](=O)[O-]	ZINC001228972656	1312030293	/nfs/dbraw/zinc/03/02/93/1312030293.db2.gz	BRQLPDYTMMGTDY-NWDGAFQWSA-N	-2	3	343.376	2.995	20	5		EFBDHL
COc1cccc(OC[C@@H](C)Oc2cc([O-])cc([O-])c2[N+](=O)[O-])c1	ZINC001228974952	1312030484	/nfs/dbraw/zinc/03/04/84/1312030484.db2.gz	VZDXXUONDQXRNH-SNVBAGLBSA-N	-2	3	335.312	2.861	20	5		EFBDHL
O=[N+]([O-])c1c([O-])cc([O-])cc1OC[C@@H]1CCC(c2ccccc2)=NO1	ZINC001228974079	1312030607	/nfs/dbraw/zinc/03/06/07/1312030607.db2.gz	OOYGXSVFFMLXNH-ZDUSSCGKSA-N	-2	3	344.323	2.968	20	5		EFBDHL
O=C([O-])c1c(F)ccc(Cl)c1[N-]C(=O)c1ccc([N+](=O)[O-])o1	ZINC001601579380	1095741748	/nfs/dbraw/zinc/74/17/48/1095741748.db2.gz	OBOFRWRVLNKKAM-UHFFFAOYSA-N	-2	3	328.639	2.931	20	5		EFBDHL
Cc1cccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1F	ZINC000180016536	239480860	/nfs/dbraw/zinc/48/08/60/239480860.db2.gz	MRHGWNCQDLLMKW-UHFFFAOYSA-N	-2	3	326.305	2.549	20	5		EFBDHL
O=c1nc(C=Cc2ccc(OCC3CC3)cc2)c([N+](=O)[O-])c([O-])[n-]1	ZINC000453029971	312848658	/nfs/dbraw/zinc/84/86/58/312848658.db2.gz	SRBPRYWNXUINCI-YVMONPNESA-N	-2	3	329.312	2.755	20	5		EFBDHL
Cc1[n-][nH]c(=NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1-c1ccccc1	ZINC000547858112	318048948	/nfs/dbraw/zinc/04/89/48/318048948.db2.gz	FFMVKSVQWCXADY-UHFFFAOYSA-N	-2	3	338.323	2.673	20	5		EFBDHL
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)ccc1[O-]	ZINC000024101100	472046837	/nfs/dbraw/zinc/04/68/37/472046837.db2.gz	ACASXKBTTIMHAX-UHFFFAOYSA-N	-2	3	348.258	2.519	20	5		EFBDHL
Cc1sc(S(=O)(=O)[N-]c2ccc(C)c([O-])c2)cc1[N+](=O)[O-]	ZINC000119253689	472541125	/nfs/dbraw/zinc/54/11/25/472541125.db2.gz	VIDGNLIGRXBSAY-UHFFFAOYSA-N	-2	3	328.371	2.780	20	5		EFBDHL
O=c1nc(C=Cc2ccc3c(c2)OCCCCO3)c([N+](=O)[O-])c([O-])[n-]1	ZINC000453032580	477149002	/nfs/dbraw/zinc/14/90/02/477149002.db2.gz	XIKQFSOWHWRRSA-HWKANZROSA-N	-2	3	345.311	2.518	20	5		EFBDHL
CCOC[C@H](C)Oc1cc([O-])cc2oc3c(O)ccc(=O)c-3c([O-])c12	ZINC001234125281	1313062795	/nfs/dbraw/zinc/06/27/95/1313062795.db2.gz	QFGKOMRZYKOUIW-VIFPVBQESA-N	-2	3	346.335	2.867	20	5		EFBDHL
O=[N+]([O-])c1cc([O-])cc(Nc2nc(Br)ccc2[O-])c1	ZINC001199802262	1295760187	/nfs/dbraw/zinc/76/01/87/1295760187.db2.gz	NDMPOSUIRQFDDB-UHFFFAOYSA-N	-2	3	326.106	2.907	20	5		EFBDHL
O=[N+]([O-])c1cc([O-])cc(Nc2ncc(Br)cc2[O-])c1	ZINC001199802831	1295761135	/nfs/dbraw/zinc/76/11/35/1295761135.db2.gz	ZQMABKUPJVYPCH-UHFFFAOYSA-N	-2	3	326.106	2.907	20	5		EFBDHL
O=c1c2cccc([O-])c2oc2cc([O-])cc(O[C@H]3CCCOC3)c21	ZINC001234742171	1313187951	/nfs/dbraw/zinc/18/79/51/1313187951.db2.gz	NBVWEMLUGZXTQP-NSHDSACASA-N	-2	3	328.320	2.915	20	5		EFBDHL
CCOC(=O)[C@H](Oc1cc([O-])cc([O-])c1[N+](=O)[O-])c1ccccc1	ZINC001228971233	1312029559	/nfs/dbraw/zinc/02/95/59/1312029559.db2.gz	MMXHUAXPXIFCKV-OAHLLOKOSA-N	-2	3	333.296	2.689	20	5		EFBDHL
COc1ccccc1OC[C@@H](C)Oc1cc([O-])cc([O-])c1[N+](=O)[O-]	ZINC001228973198	1312030080	/nfs/dbraw/zinc/03/00/80/1312030080.db2.gz	HSAGOJJJFHYINA-SNVBAGLBSA-N	-2	3	335.312	2.861	20	5		EFBDHL
CCOC(=O)[C@@H]1CCC[C@H](Oc2cc([O-])cc([O-])c2[N+](=O)[O-])C1	ZINC001228975291	1312030510	/nfs/dbraw/zinc/03/05/10/1312030510.db2.gz	ZDWHZYSETRJNFD-KOLCDFICSA-N	-2	3	325.317	2.507	20	5		EFBDHL
Cc1nn(-c2ccccc2)cc1[N-]c1ncc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC001600765319	1095317022	/nfs/dbraw/zinc/31/70/22/1095317022.db2.gz	LDYGCTWAFSZXKU-UHFFFAOYSA-N	-2	3	339.311	2.926	20	5		EFBDHL
Cc1cc(NCc2cc(=O)[n-]c(C3CC3)n2)c(C(=O)[O-])cc1[N+](=O)[O-]	ZINC001607696242	1097701968	/nfs/dbraw/zinc/70/19/68/1097701968.db2.gz	VZGAKAFNGGKRHF-UHFFFAOYSA-N	-2	3	344.327	2.587	20	5		EFBDHL
O=[N+]([O-])c1cc(Nc2ncc(Br)cc2[O-])ccc1[O-]	ZINC001210393001	1102549573	/nfs/dbraw/zinc/54/95/73/1102549573.db2.gz	SKNGHGPAYGSHIB-UHFFFAOYSA-N	-2	3	326.106	2.907	20	5		EFBDHL
O=[N+]([O-])c1cc(Nc2nc(Br)ccc2[O-])ccc1[O-]	ZINC001210393043	1102556758	/nfs/dbraw/zinc/55/67/58/1102556758.db2.gz	UXOXAWGCJCLRJW-UHFFFAOYSA-N	-2	3	326.106	2.907	20	5		EFBDHL
Cc1ccc(S(=O)(=O)[N-]c2cccc([O-])c2F)c([N+](=O)[O-])c1	ZINC000131542375	472677804	/nfs/dbraw/zinc/67/78/04/472677804.db2.gz	YTIMQFXJZCKYTK-UHFFFAOYSA-N	-2	3	326.305	2.549	20	5		EFBDHL
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1F	ZINC000158905672	472979131	/nfs/dbraw/zinc/97/91/31/472979131.db2.gz	AURHFGPPIRCAOF-UHFFFAOYSA-N	-2	3	326.305	2.549	20	5		EFBDHL
O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000159270992	473013904	/nfs/dbraw/zinc/01/39/04/473013904.db2.gz	UXQXTOMTDJSFGY-UHFFFAOYSA-N	-2	3	344.110	2.960	20	5		EFBDHL
COc1cc(CNc2ccc(C)c(C(=O)[O-])c2)c([N+](=O)[O-])cc1[O-]	ZINC000340671411	476193280	/nfs/dbraw/zinc/19/32/80/476193280.db2.gz	OBPKCVKIXLQBDD-UHFFFAOYSA-N	-2	3	332.312	2.928	20	5		EFBDHL
O=C(Nc1cc(Cl)cc(Cl)c1[O-])c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000354426918	476654827	/nfs/dbraw/zinc/65/48/27/476654827.db2.gz	UWDRPNVWTBFDKB-UHFFFAOYSA-N	-2	3	344.110	2.960	20	5		EFBDHL
Cc1nc(C=Cc2ccc(Cl)c([N+](=O)[O-])c2)[n-]c(=O)c1CC(=O)[O-]	ZINC000791433809	1278101422	/nfs/dbraw/zinc/10/14/22/1278101422.db2.gz	SWPUNGSPEYRFLH-HYXAFXHYSA-N	-2	3	349.730	2.850	20	5		EFBDHL
O=c1ccc(O)c2oc3cc([O-])cc(O[C@@H]4CCCOC4)c3c([O-])c1-2	ZINC001234124472	1313061636	/nfs/dbraw/zinc/06/16/36/1313061636.db2.gz	JMZDWFCMOCHTNP-SNVBAGLBSA-N	-2	3	344.319	2.621	20	5		EFBDHL
O=[N+]([O-])c1cc([O-])cc(Nc2cc(S(=O)(=O)[O-])ccc2Cl)c1	ZINC001201230082	1296636478	/nfs/dbraw/zinc/63/64/78/1296636478.db2.gz	XGSMHJYRNASZRQ-UHFFFAOYSA-N	-2	3	344.732	2.944	20	5		EFBDHL
O=c1cccc2oc3cc([O-])c(O[C@H]4CCOC[C@H]4F)cc3c([O-])c1-2	ZINC001227310150	1311792265	/nfs/dbraw/zinc/79/22/65/1311792265.db2.gz	TXRGKJHLHRZTOG-MFKMUULPSA-N	-2	3	346.310	2.863	20	5		EFBDHL
COc1cccc2c1[C@H](Oc1cc([O-])cc([O-])c1[N+](=O)[O-])CCO2	ZINC001228969759	1312029059	/nfs/dbraw/zinc/02/90/59/1312029059.db2.gz	CBYHIUMWTQTVNQ-CYBMUJFWSA-N	-2	3	333.296	2.917	20	5		EFBDHL
COc1ccc2c(c1)CC[C@H](Oc1cc([O-])cc([O-])c1[N+](=O)[O-])C2	ZINC001228975055	1312030312	/nfs/dbraw/zinc/03/03/12/1312030312.db2.gz	YCMNAGPVTPCNIR-AWEZNQCLSA-N	-2	3	331.324	2.951	20	5		EFBDHL
CCOC(=O)[C@H]1CC[C@H](Oc2cc([O-])cc([O-])c2[N+](=O)[O-])CC1	ZINC001228974090	1312030348	/nfs/dbraw/zinc/03/03/48/1312030348.db2.gz	PAKGCHBKFPWAJH-HOMQSWHASA-N	-2	3	325.317	2.507	20	5		EFBDHL
O=c1c2cccc([O-])c2oc2cc([O-])cc(OC[C@H]3C[C@H](O)C3)c12	ZINC001218429812	1315194858	/nfs/dbraw/zinc/19/48/58/1315194858.db2.gz	LGPFLKLNTJRXRU-MGCOHNPYSA-N	-2	3	328.320	2.507	20	5		EFBDHL
CCc1ccc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c([O-])c1	ZINC001597503303	988071211	/nfs/dbraw/zinc/07/12/11/988071211.db2.gz	PFZAFQDSVVKHQN-UHFFFAOYSA-N	-2	3	330.296	2.813	20	5		EFBDHL
O=C([O-])CCCOc1ccc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])cc1	ZINC001601998295	1096013457	/nfs/dbraw/zinc/01/34/57/1096013457.db2.gz	UZWKYDLUKPMKGW-UHFFFAOYSA-N	-2	3	333.300	2.683	20	5		EFBDHL
O=C([O-])c1cc(C(=O)Nc2ccc(Cl)cc2[O-])cc([N+](=O)[O-])c1	ZINC001608838034	1098039398	/nfs/dbraw/zinc/03/93/98/1098039398.db2.gz	OMZPCWMVNNVUCO-UHFFFAOYSA-N	-2	3	336.687	2.904	20	5		EFBDHL
O=C(N=c1cc(-c2ccccc2)o[n-]1)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000436612919	249554642	/nfs/dbraw/zinc/55/46/42/249554642.db2.gz	ZZBMCEIOXCETJR-UHFFFAOYSA-N	-2	3	325.280	2.630	20	5		EFBDHL
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cccc([O-])c2F)c1C	ZINC000131526714	293199597	/nfs/dbraw/zinc/19/95/97/293199597.db2.gz	QKXOFJMZVWNCJQ-UHFFFAOYSA-N	-2	3	340.332	2.857	20	5		EFBDHL
COCc1ncc(C(=O)[N-]c2cc(Cl)cc([N+](=O)[O-])c2[O-])s1	ZINC000354532333	476715140	/nfs/dbraw/zinc/71/51/40/476715140.db2.gz	BGROFXBPRXYXGK-UHFFFAOYSA-N	-2	3	343.748	2.809	20	5		EFBDHL
Cc1ccc(C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)c([O-])c1	ZINC000436676478	477555603	/nfs/dbraw/zinc/55/56/03/477555603.db2.gz	PTEMPKKIPCISLB-UHFFFAOYSA-N	-2	3	338.323	2.673	20	5		EFBDHL
CCC[C@@H](CC)S(=O)(=O)[N-]c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000563225504	478489234	/nfs/dbraw/zinc/48/92/34/478489234.db2.gz	PWSDGVFJMGABMM-GFCCVEGCSA-N	-2	3	330.362	2.613	20	5		EFBDHL
C[C@@H](O)c1ncc(C(=O)[N-]c2cc(Cl)cc([N+](=O)[O-])c2[O-])s1	ZINC000774088888	581482530	/nfs/dbraw/zinc/48/25/30/581482530.db2.gz	LTSGDUMHIBDZOH-RXMQYKEDSA-N	-2	3	343.748	2.716	20	5		EFBDHL
O=C([O-])c1cc(Oc2nc3ccccc3c(=O)[n-]2)ccc1[N+](=O)[O-]	ZINC000740086991	600461980	/nfs/dbraw/zinc/46/19/80/600461980.db2.gz	FIHYVJHKDKAREE-UHFFFAOYSA-N	-2	3	327.252	2.734	20	5		EFBDHL
O=C([O-])c1ccc(Nc2cc(=O)n(-c3ccccc3)[n-]2)cc1[N+](=O)[O-]	ZINC001174503770	1287044605	/nfs/dbraw/zinc/04/46/05/1287044605.db2.gz	XDTGGRIXOSZHHJ-UHFFFAOYSA-N	-2	3	340.295	2.928	20	5		EFBDHL
COC(=O)c1ccc([O-])c(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1	ZINC001176677093	1288066196	/nfs/dbraw/zinc/06/61/96/1288066196.db2.gz	LRRUHXOSONCNSJ-UHFFFAOYSA-N	-2	3	332.268	2.529	20	5		EFBDHL
CO[C@@H](C)CCOc1c([O-])ccc2c([O-])c3c(=O)cc(O)cc-3oc21	ZINC001234750494	1313188602	/nfs/dbraw/zinc/18/86/02/1313188602.db2.gz	KFDPUDILOLDJTE-VIFPVBQESA-N	-2	3	346.335	2.867	20	5		EFBDHL
CO[C@H](C)CCOc1c([O-])ccc2c([O-])c3c(=O)cc(O)cc-3oc21	ZINC001234750492	1313188749	/nfs/dbraw/zinc/18/87/49/1313188749.db2.gz	KFDPUDILOLDJTE-SECBINFHSA-N	-2	3	346.335	2.867	20	5		EFBDHL
COc1cc([O-])cc2oc3cc([O-])c(OC[C@@H]4CCO4)cc3c(=O)c12	ZINC001234801106	1313193066	/nfs/dbraw/zinc/19/30/66/1313193066.db2.gz	OHNCAAOOSFMEJZ-JTQLQIEISA-N	-2	3	344.319	2.534	20	5		EFBDHL
CC(C)C[C@@H](Oc1cc([O-])cc([O-])c1[N+](=O)[O-])C(=O)OC(C)C	ZINC001228970158	1312028904	/nfs/dbraw/zinc/02/89/04/1312028904.db2.gz	GKUGMAVLDWSENQ-CYBMUJFWSA-N	-2	3	327.333	2.751	20	5		EFBDHL
COC(=O)C[C@@H]1CCC[C@@H](Oc2cc([O-])cc([O-])c2[N+](=O)[O-])C1	ZINC001228972636	1312030117	/nfs/dbraw/zinc/03/01/17/1312030117.db2.gz	BDIIUDKJDIQFIK-MWLCHTKSSA-N	-2	3	325.317	2.507	20	5		EFBDHL
O=[N+]([O-])c1c([O-])cc([O-])cc1OC[C@H]1CCC(c2ccccc2)=NO1	ZINC001228974078	1312030531	/nfs/dbraw/zinc/03/05/31/1312030531.db2.gz	OOYGXSVFFMLXNH-CYBMUJFWSA-N	-2	3	344.323	2.968	20	5		EFBDHL
O=c1cccc2oc3cc([O-])c(OC[C@H]4C[C@@H](O)C4)cc3c([O-])c1-2	ZINC001218432212	1315194938	/nfs/dbraw/zinc/19/49/38/1315194938.db2.gz	IJBHLJIVBSWPLP-AOOOYVTPSA-N	-2	3	328.320	2.507	20	5		EFBDHL
O=c1c2cccc([O-])c2oc2cc([O-])cc(OC[C@H]3C[C@@H](O)C3)c12	ZINC001218435965	1315195512	/nfs/dbraw/zinc/19/55/12/1315195512.db2.gz	LGPFLKLNTJRXRU-AOOOYVTPSA-N	-2	3	328.320	2.507	20	5		EFBDHL
CC(=O)Nc1ccc2nc(-c3cc([N+](=O)[O-])c([O-])cc3[O-])[nH]c2c1	ZINC001251088144	1315320571	/nfs/dbraw/zinc/32/05/71/1315320571.db2.gz	WSGHDYRFTJOXOC-UHFFFAOYSA-N	-2	3	328.284	2.508	20	5		EFBDHL
O=[N+]([O-])c1ccc([O-])cc1CSc1ccc(-c2nn[n-]n2)cc1	ZINC001607081678	1097508963	/nfs/dbraw/zinc/50/89/63/1097508963.db2.gz	ICCFYMQOWBRQCC-UHFFFAOYSA-N	-2	3	329.341	2.773	20	5		EFBDHL
Cc1ccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc1[N+](=O)[O-]	ZINC000347411601	145862357	/nfs/dbraw/zinc/86/23/57/145862357.db2.gz	BISNYRNCSMYRDG-WAYWQWQTSA-N	-2	3	329.312	2.505	20	5		EFBDHL
Cc1cc([N+](=O)[O-])ccc1C=Cc1nc(C)c(CC(=O)[O-])c(=O)[n-]1	ZINC000349105756	146054094	/nfs/dbraw/zinc/05/40/94/146054094.db2.gz	HHAIBQRXNMKZAG-XQRVVYSFSA-N	-2	3	329.312	2.505	20	5		EFBDHL
O=c1nc(C=Cc2cnc(-c3ccco3)s2)c([N+](=O)[O-])c([O-])[n-]1	ZINC000352022116	146266637	/nfs/dbraw/zinc/26/66/37/146266637.db2.gz	VGSZDNAGMAHXNY-ARJAWSKDSA-N	-2	3	332.297	2.683	20	5		EFBDHL
O=c1nc(C=Cc2cnc(-c3ccco3)s2)c([N+](=O)[O-])c([O-])[n-]1	ZINC000352022117	146267203	/nfs/dbraw/zinc/26/72/03/146267203.db2.gz	VGSZDNAGMAHXNY-ONEGZZNKSA-N	-2	3	332.297	2.683	20	5		EFBDHL
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc([O-])c1F	ZINC000127875791	293084240	/nfs/dbraw/zinc/08/42/40/293084240.db2.gz	MCTDNCATRIHPQD-UHFFFAOYSA-N	-2	3	326.305	2.549	20	5		EFBDHL
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cccc([O-])c1F	ZINC000127895996	293084823	/nfs/dbraw/zinc/08/48/23/293084823.db2.gz	CBPBBZQDHKBDSW-UHFFFAOYSA-N	-2	3	326.305	2.549	20	5		EFBDHL
Cc1ccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc1C(=O)[O-]	ZINC000362776332	301645819	/nfs/dbraw/zinc/64/58/19/301645819.db2.gz	VFHCZUBUVDWVGN-UHFFFAOYSA-N	-2	3	340.295	2.730	20	5		EFBDHL
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)ccc1[O-]	ZINC000024101132	472046448	/nfs/dbraw/zinc/04/64/48/472046448.db2.gz	BMDJNIQVZQQCII-UHFFFAOYSA-N	-2	3	346.723	2.894	20	5		EFBDHL
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)ccc1[O-]	ZINC000024101551	472046972	/nfs/dbraw/zinc/04/69/72/472046972.db2.gz	NLQFEBTUNBWGPY-UHFFFAOYSA-N	-2	3	334.353	2.590	20	5		EFBDHL
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)ccc1[O-]	ZINC000076195281	472295254	/nfs/dbraw/zinc/29/52/54/472295254.db2.gz	YGRPUIOOLUZXKE-UHFFFAOYSA-N	-2	3	346.723	2.894	20	5		EFBDHL
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1F	ZINC000158906876	472978108	/nfs/dbraw/zinc/97/81/08/472978108.db2.gz	OPCXLYCIXZWIIO-UHFFFAOYSA-N	-2	3	344.295	2.688	20	5		EFBDHL
Cc1ccc([O-])c(C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)c1	ZINC000609202658	480126794	/nfs/dbraw/zinc/12/67/94/480126794.db2.gz	USRCJPDAVMITSA-UHFFFAOYSA-N	-2	3	338.323	2.673	20	5		EFBDHL
O=C([O-])c1cc([N-]S(=O)(=O)/C=C\c2ccccc2)cc([N+](=O)[O-])c1	ZINC000833300434	600691391	/nfs/dbraw/zinc/69/13/91/600691391.db2.gz	NTSQKZIIYCEESN-SREVYHEPSA-N	-2	3	348.336	2.706	20	5		EFBDHL
CCO[C@@H](C)COc1cc([O-])cc2oc3c(O)ccc(=O)c-3c([O-])c12	ZINC001234123616	1313061511	/nfs/dbraw/zinc/06/15/11/1313061511.db2.gz	DULGRVCACOAFKC-VIFPVBQESA-N	-2	3	346.335	2.867	20	5		EFBDHL
CCO[C@H](C)COc1c([O-])ccc2c([O-])c3c(=O)cc(O)cc-3oc21	ZINC001234750454	1313188727	/nfs/dbraw/zinc/18/87/27/1313188727.db2.gz	JUKLBGRQBQTZTG-SECBINFHSA-N	-2	3	346.335	2.867	20	5		EFBDHL
CC[C@H](COc1c([O-])ccc2c([O-])c3c(=O)cc(O)cc-3oc21)OC	ZINC001234750548	1313189001	/nfs/dbraw/zinc/18/90/01/1313189001.db2.gz	LOCAIGSVLTYOOP-SNVBAGLBSA-N	-2	3	346.335	2.867	20	5		EFBDHL
CC(C)OCCOc1c([O-])ccc2c([O-])c3c(=O)cc(O)cc-3oc21	ZINC001234751157	1313189088	/nfs/dbraw/zinc/18/90/88/1313189088.db2.gz	SIEORMMUXQUYCP-UHFFFAOYSA-N	-2	3	346.335	2.867	20	5		EFBDHL
Cc1nc(C=Cc2ccc([N+](=O)[O-])c(Cl)c2)[n-]c(=O)c1CC(=O)[O-]	ZINC000794713183	1303037380	/nfs/dbraw/zinc/03/73/80/1303037380.db2.gz	KYNQTVHQWFTPQQ-HYXAFXHYSA-N	-2	3	349.730	2.850	20	5		EFBDHL
COc1cccc(OC[C@H](C)Oc2cc([O-])cc([O-])c2[N+](=O)[O-])c1	ZINC001228974948	1312029961	/nfs/dbraw/zinc/02/99/61/1312029961.db2.gz	VZDXXUONDQXRNH-JTQLQIEISA-N	-2	3	335.312	2.861	20	5		EFBDHL
COc1ccccc1OC[C@H](C)Oc1cc([O-])cc([O-])c1[N+](=O)[O-]	ZINC001228973197	1312030305	/nfs/dbraw/zinc/03/03/05/1312030305.db2.gz	HSAGOJJJFHYINA-JTQLQIEISA-N	-2	3	335.312	2.861	20	5		EFBDHL