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(NCCN1CCS(=O)(=O)CC1)c1cccc(O)c1[N+](=O)[O-]	ZINC000339275008	376648686	/nfs/dbraw/zinc/64/86/86/376648686.db2.gz	KMFHKKGVEKEBPB-UHFFFAOYSA-N	0	2	343.361	-0.239	20	5		EBBDLN
CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1	ZINC000598031602	378150649	/nfs/dbraw/zinc/15/06/49/378150649.db2.gz	YCEIZXNUYWTELE-KWQFWETISA-N	0	2	330.318	-0.158	20	5		EBBDLN
CC(C)NS(=O)(=O)NCCNC(=O)c1cc(O)ccc1[N+](=O)[O-]	ZINC000355309216	379718333	/nfs/dbraw/zinc/71/83/33/379718333.db2.gz	CNRVBSDUIUWVGC-UHFFFAOYSA-N	0	2	346.365	-0.137	20	5		EBBDLN
NS(=O)(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1	ZINC000271283041	379753733	/nfs/dbraw/zinc/75/37/33/379753733.db2.gz	OJDGELHLFIXMOM-UHFFFAOYSA-N	0	2	330.322	-0.738	20	5		EBBDLN
O=C(NCc1n[nH]c(=O)[nH]1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1	ZINC000358358606	157236588	/nfs/dbraw/zinc/23/65/88/157236588.db2.gz	PZCHISSPLZNPPV-UHFFFAOYSA-N	0	2	330.264	-0.071	20	5		EBBDLN
O=C(NC[C@H]1CS(=O)(=O)CCO1)c1cc([N+](=O)[O-])ccc1O	ZINC000436960081	265243900	/nfs/dbraw/zinc/24/39/00/265243900.db2.gz	PJAUFDYHRFDZEY-VIFPVBQESA-N	0	2	330.318	-0.156	20	5		EBBDLN
COC(=O)Cn1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)nn1	ZINC000436903755	265244355	/nfs/dbraw/zinc/24/43/55/265244355.db2.gz	WWGNCUXROQSLOO-UHFFFAOYSA-N	0	2	335.276	-0.005	20	5		EBBDLN
CNC(=O)NCCC(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])nc1	ZINC000796947434	583597742	/nfs/dbraw/zinc/59/77/42/583597742.db2.gz	BNIIPDSMWGRXHD-UHFFFAOYSA-N	0	2	331.310	-0.886	20	5		EBBDLN
Cc1c(Cn2c(=O)c(-c3nn[nH]n3)cn(C)c2=O)cccc1[N+](=O)[O-]	ZINC000826241129	583889655	/nfs/dbraw/zinc/88/96/55/583889655.db2.gz	SEWQHHAXHMZYON-UHFFFAOYSA-N	0	2	343.303	-0.008	20	5		EBBDLN
C[C@@H]1CN(CCC(=O)[O-])CC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000833628307	584012817	/nfs/dbraw/zinc/01/28/17/584012817.db2.gz	FTBPNCODGFCONF-DGCLKSJQSA-N	0	2	341.368	-0.367	20	5		EBBDLN
C[C@@H]1CN(CCC(=O)[O-])CC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000833628307	584012818	/nfs/dbraw/zinc/01/28/18/584012818.db2.gz	FTBPNCODGFCONF-DGCLKSJQSA-N	0	2	341.368	-0.367	20	5		EBBDLN
CCONC(=O)CNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000846497283	584127103	/nfs/dbraw/zinc/12/71/03/584127103.db2.gz	KMGPVVPENNYUDB-UHFFFAOYSA-N	0	2	338.320	-0.101	20	5		EBBDLN
Cc1nn[nH]c1C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2	ZINC000944933231	653294486	/nfs/dbraw/zinc/29/44/86/653294486.db2.gz	FHQZMBZTJBGYNO-GHMZBOCLSA-N	0	2	348.363	-0.157	20	5		EBBDLN
O=C(Cc1ncn[nH]1)N1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1	ZINC000945060918	653336856	/nfs/dbraw/zinc/33/68/56/653336856.db2.gz	FPKPYLQHCQLWJU-GHMZBOCLSA-N	0	2	348.363	-0.537	20	5		EBBDLN
Cc1nn[nH]c1C(=O)N(C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC000954127317	719570996	/nfs/dbraw/zinc/57/09/96/719570996.db2.gz	LJOQEMPRPCCPTH-GHMZBOCLSA-N	0	2	336.352	-0.159	20	5		EBBDLN
O=C(NCC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1ccc2[nH]nnc2c1	ZINC001001838556	726625583	/nfs/dbraw/zinc/62/55/83/726625583.db2.gz	YCWUOYLUSSFKSP-ZWNOBZJWSA-N	0	2	344.331	-0.189	20	5		EBBDLN
Cc1nn[nH]c1C(=O)N1CCCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1	ZINC001010651876	727121168	/nfs/dbraw/zinc/12/11/68/727121168.db2.gz	DMAJUJGXFHACDL-GHMZBOCLSA-N	0	2	348.363	-0.157	20	5		EBBDLN
O=C(NC1(C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1)c1ncn[nH]1	ZINC001017186541	728553516	/nfs/dbraw/zinc/55/35/16/728553516.db2.gz	HOYJJUOGQTUGPO-GHMZBOCLSA-N	0	2	348.363	-0.029	20	5		EBBDLN
O=C(NC1(C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1)c1nc[nH]n1	ZINC001017186541	728553517	/nfs/dbraw/zinc/55/35/17/728553517.db2.gz	HOYJJUOGQTUGPO-GHMZBOCLSA-N	0	2	348.363	-0.029	20	5		EBBDLN
CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(Cc2cc(=O)n3[nH]ccc3n2)C1	ZINC001042705674	732542623	/nfs/dbraw/zinc/54/26/23/732542623.db2.gz	XJZDZICFJYNTLG-VXGBXAGGSA-N	0	2	346.347	-0.670	20	5		EBBDLN
O=C(CN1CCCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1)N1CCC1	ZINC000981764981	806271296	/nfs/dbraw/zinc/27/12/96/806271296.db2.gz	LYNUGYONCIHWMY-CHWSQXEVSA-N	0	2	336.392	-0.192	20	5		EBBDLN
O=C(NC1(C[NH2+]Cc2nncs2)CCOCC1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001273969608	816826024	/nfs/dbraw/zinc/82/60/24/816826024.db2.gz	VKNXOZLEKXSWPR-NXEZZACHSA-N	0	2	341.393	-0.042	20	5		EBBDLN
O=C(NCCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1cnn[nH]1	ZINC001356973351	1131013771	/nfs/dbraw/zinc/01/37/71/1131013771.db2.gz	YKMJTMHPYJPMRM-ZYHUDNBSSA-N	0	2	336.352	-0.172	20	5		EBBDLN
CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1cccc(O)c1[N+](=O)[O-]	ZINC000598019913	378145973	/nfs/dbraw/zinc/14/59/73/378145973.db2.gz	APYRKJXJINWIRF-PSASIEDQSA-N	0	2	330.318	-0.158	20	5		EBBDLN
CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)c1cc(O)ccc1[N+](=O)[O-]	ZINC000598027615	378149500	/nfs/dbraw/zinc/14/95/00/378149500.db2.gz	LLVVDMLKNNRDAC-KOLCDFICSA-N	0	2	330.318	-0.158	20	5		EBBDLN
CN(C)S(=O)(=O)N1CC(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1	ZINC000600712026	379657841	/nfs/dbraw/zinc/65/78/41/379657841.db2.gz	VLHDALNXPTWMLA-UHFFFAOYSA-N	0	2	344.349	-0.479	20	5		EBBDLN
NS(=O)(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1	ZINC000266426679	154346057	/nfs/dbraw/zinc/34/60/57/154346057.db2.gz	HOKXJJQRWCGTQV-UHFFFAOYSA-N	0	2	330.322	-0.738	20	5		EBBDLN
C[N@H+](CC(=O)[O-])[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@H]1O	ZINC000343944235	156192621	/nfs/dbraw/zinc/19/26/21/156192621.db2.gz	VUHONFHPTLNDOX-ZYHUDNBSSA-N	0	2	339.304	-0.498	20	5		EBBDLN
C[N@@H+](CC(=O)[O-])[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@H]1O	ZINC000343944235	156192627	/nfs/dbraw/zinc/19/26/27/156192627.db2.gz	VUHONFHPTLNDOX-ZYHUDNBSSA-N	0	2	339.304	-0.498	20	5		EBBDLN
O=C(N[C@H](CO)CN1CCOCC1)c1ccc([N+](=O)[O-])cc1O	ZINC000436555311	265241281	/nfs/dbraw/zinc/24/12/81/265241281.db2.gz	LVGCSCHETMARNG-JTQLQIEISA-N	0	2	325.321	-0.277	20	5		EBBDLN
C[N@@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)[C@H](CNC(=O)[O-])C1	ZINC000828506080	583941280	/nfs/dbraw/zinc/94/12/80/583941280.db2.gz	DCCVWMQQXSQNII-SECBINFHSA-N	0	2	326.313	-0.799	20	5		EBBDLN
C[N@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)[C@H](CNC(=O)[O-])C1	ZINC000828506080	583941281	/nfs/dbraw/zinc/94/12/81/583941281.db2.gz	DCCVWMQQXSQNII-SECBINFHSA-N	0	2	326.313	-0.799	20	5		EBBDLN
Cc1n[nH]c(C(=O)N2CC[N@@H+](C)C[C@H]2CNC(=O)[O-])c1[N+](=O)[O-]	ZINC000829835156	583958942	/nfs/dbraw/zinc/95/89/42/583958942.db2.gz	YJXIFVGZDAUQGY-MRVPVSSYSA-N	0	2	326.313	-0.350	20	5		EBBDLN
Cc1n[nH]c(C(=O)N2CC[N@H+](C)C[C@H]2CNC(=O)[O-])c1[N+](=O)[O-]	ZINC000829835156	583958943	/nfs/dbraw/zinc/95/89/43/583958943.db2.gz	YJXIFVGZDAUQGY-MRVPVSSYSA-N	0	2	326.313	-0.350	20	5		EBBDLN
Cc1[nH]nc(C(=O)N2CC[N@@H+](C)C[C@H]2CNC(=O)[O-])c1[N+](=O)[O-]	ZINC000829835156	583958945	/nfs/dbraw/zinc/95/89/45/583958945.db2.gz	YJXIFVGZDAUQGY-MRVPVSSYSA-N	0	2	326.313	-0.350	20	5		EBBDLN
Cc1[nH]nc(C(=O)N2CC[N@H+](C)C[C@H]2CNC(=O)[O-])c1[N+](=O)[O-]	ZINC000829835156	583958946	/nfs/dbraw/zinc/95/89/46/583958946.db2.gz	YJXIFVGZDAUQGY-MRVPVSSYSA-N	0	2	326.313	-0.350	20	5		EBBDLN
Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)[O-]	ZINC000830779535	583970886	/nfs/dbraw/zinc/97/08/86/583970886.db2.gz	KCEJZVBGEWEVMM-SNVBAGLBSA-N	0	2	340.340	-0.490	20	5		EBBDLN
Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)[O-]	ZINC000830779535	583970889	/nfs/dbraw/zinc/97/08/89/583970889.db2.gz	KCEJZVBGEWEVMM-SNVBAGLBSA-N	0	2	340.340	-0.490	20	5		EBBDLN
CCONC(=O)CNc1ncnc(N2CCOCC2)c1[N+](=O)[O-]	ZINC000856769008	584271330	/nfs/dbraw/zinc/27/13/30/584271330.db2.gz	QSNWSHRAPBQNDT-UHFFFAOYSA-N	0	2	326.313	-0.299	20	5		EBBDLN
O=C(Cc1ncn[nH]1)N1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC000952805893	654504653	/nfs/dbraw/zinc/50/46/53/654504653.db2.gz	LPZHHNASGIFRHO-WRWGMCAJSA-N	0	2	348.363	-0.396	20	5		EBBDLN
Cc1ncc(C(=O)N2CCOC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)[nH]1	ZINC000965331204	724182818	/nfs/dbraw/zinc/18/28/18/724182818.db2.gz	JHTMZIUASUINGB-ZYHUDNBSSA-N	0	2	349.347	-0.563	20	5		EBBDLN
O=C(CCc1cnn[nH]1)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1	ZINC001062993713	739040006	/nfs/dbraw/zinc/04/00/06/739040006.db2.gz	YVZLGMOHELMJFN-GHMZBOCLSA-N	0	2	336.352	-0.442	20	5		EBBDLN
O=C(NC1CN(C(=O)c2ccc3[nH]nnc3c2)C1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC000991285842	809237959	/nfs/dbraw/zinc/23/79/59/809237959.db2.gz	HGJOZAZIEYDQJW-BXKDBHETSA-N	0	2	330.304	-0.436	20	5		EBBDLN
CS(=O)(=O)Nc1nnc(NC(=O)Cn2cc([N+](=O)[O-])cn2)s1	ZINC000340922083	377310062	/nfs/dbraw/zinc/31/00/62/377310062.db2.gz	FZLWBOULKKUXDN-UHFFFAOYSA-N	0	2	347.338	-0.347	20	5		EBBDLN
CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O	ZINC000598030309	378149448	/nfs/dbraw/zinc/14/94/48/378149448.db2.gz	UGHONXGQSWNZFH-GXSJLCMTSA-N	0	2	330.318	-0.158	20	5		EBBDLN
Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC[C@H](O)C(F)(F)F)n1	ZINC000599244019	378206686	/nfs/dbraw/zinc/20/66/86/378206686.db2.gz	XPHPVOYZONXYGP-LURJTMIESA-N	0	2	332.260	-0.080	20	5		EBBDLN
NC(=O)c1cn(C2CN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)C2)nn1	ZINC000352379864	379677332	/nfs/dbraw/zinc/67/73/32/379677332.db2.gz	XETFLSYXUVQYLP-UHFFFAOYSA-N	0	2	332.276	-0.312	20	5		EBBDLN
O=C(NC[C@@H]1CS(=O)(=O)CCO1)c1cc([N+](=O)[O-])ccc1O	ZINC000436960079	265243512	/nfs/dbraw/zinc/24/35/12/265243512.db2.gz	PJAUFDYHRFDZEY-SECBINFHSA-N	0	2	330.318	-0.156	20	5		EBBDLN
COC(=O)C[C@@H](C)C(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])nc1	ZINC000758537837	583205232	/nfs/dbraw/zinc/20/52/32/583205232.db2.gz	YPHBYTYJFCRPBV-SSDOTTSWSA-N	0	2	331.306	-0.006	20	5		EBBDLN
C[N@@H+]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)[C@H](CNC(=O)[O-])C1	ZINC000828501416	583941297	/nfs/dbraw/zinc/94/12/97/583941297.db2.gz	VTHKBORAYBYPFW-SNVBAGLBSA-N	0	2	340.340	-0.408	20	5		EBBDLN
C[N@H+]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)[C@H](CNC(=O)[O-])C1	ZINC000828501416	583941298	/nfs/dbraw/zinc/94/12/98/583941298.db2.gz	VTHKBORAYBYPFW-SNVBAGLBSA-N	0	2	340.340	-0.408	20	5		EBBDLN
CN1CC(C(=O)NC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)=NC1=O	ZINC000946706858	653195971	/nfs/dbraw/zinc/19/59/71/653195971.db2.gz	RKMPWEMYZMCWEF-MWLCHTKSSA-N	0	2	337.336	-0.488	20	5		EBBDLN
CCN(C(=O)CCc1cnn[nH]1)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001080574648	812069699	/nfs/dbraw/zinc/06/96/99/812069699.db2.gz	LDHYTZVTQDGVKM-VXGBXAGGSA-N	0	2	336.352	-0.538	20	5		EBBDLN
Cn1ccc(=O)n(CCCNC(=O)c2cc(O)ccc2[N+](=O)[O-])c1=O	ZINC000349286478	381162850	/nfs/dbraw/zinc/16/28/50/381162850.db2.gz	VAXJQLBOPWXAIK-UHFFFAOYSA-N	0	2	348.315	-0.019	20	5		EBBDLN
O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cn(CCO)c(=O)[nH]c1=O	ZINC000356293012	157059803	/nfs/dbraw/zinc/05/98/03/157059803.db2.gz	KXQSYVOOWDKYSH-UHFFFAOYSA-N	0	2	336.260	-0.193	20	5		EBBDLN
CNS(=O)(=O)c1ccc(NCc2n[nH]c(=O)[nH]2)c([N+](=O)[O-])c1	ZINC000442738267	265327081	/nfs/dbraw/zinc/32/70/81/265327081.db2.gz	PRMLZMGZCTWFAD-UHFFFAOYSA-N	0	2	328.310	-0.061	20	5		EBBDLN
Cn1nnnc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC[C@@H]2C1	ZINC000946589275	653160703	/nfs/dbraw/zinc/16/07/03/653160703.db2.gz	PLHGSMCRISYTPY-YVECIDJPSA-N	0	2	349.395	-0.454	20	5		EBBDLN
CN(C[C@H](O)C[NH+]1CCOCC1)c1ncc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC001337926176	842721159	/nfs/dbraw/zinc/72/11/59/842721159.db2.gz	PDNODMICVDFXLR-NSHDSACASA-N	0	2	340.336	-0.183	20	5		EBBDLN
Cn1ccc(=O)n(CCCNC(=O)c2cccc(O)c2[N+](=O)[O-])c1=O	ZINC000599844429	378277807	/nfs/dbraw/zinc/27/78/07/378277807.db2.gz	BWUQVCAMQWZPMP-UHFFFAOYSA-N	0	2	348.315	-0.019	20	5		EBBDLN
O=C(NC[C@H]1CS(=O)(=O)CCO1)c1ccc([N+](=O)[O-])c(O)c1	ZINC000351985847	379651369	/nfs/dbraw/zinc/65/13/69/379651369.db2.gz	BTKDBRMOISOMKU-VIFPVBQESA-N	0	2	330.318	-0.156	20	5		EBBDLN
CNC(=O)Cn1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1	ZINC000437316246	265246264	/nfs/dbraw/zinc/24/62/64/265246264.db2.gz	CVHYCBUBXCQFEX-UHFFFAOYSA-N	0	2	340.321	-0.267	20	5		EBBDLN
Cc1nn(C)c(C(=O)N2CC[N@H+](C)C[C@H]2CNC(=O)[O-])c1[N+](=O)[O-]	ZINC000830846964	583971369	/nfs/dbraw/zinc/97/13/69/583971369.db2.gz	SVZBODZEJZUEST-SECBINFHSA-N	0	2	340.340	-0.339	20	5		EBBDLN
Cc1nn(C)c(C(=O)N2CC[N@@H+](C)C[C@H]2CNC(=O)[O-])c1[N+](=O)[O-]	ZINC000830846964	583971371	/nfs/dbraw/zinc/97/13/71/583971371.db2.gz	SVZBODZEJZUEST-SECBINFHSA-N	0	2	340.340	-0.339	20	5		EBBDLN
O=C([O-])c1cc([N+](=O)[O-])cn(C[C@H](O)C[NH+]2CCOCC2)c1=O	ZINC000833306530	584008687	/nfs/dbraw/zinc/00/86/87/584008687.db2.gz	AQFMBCRUJGGHRY-SNVBAGLBSA-N	0	2	327.293	-0.852	20	5		EBBDLN
Cc1nn[nH]c1C(=O)N1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1	ZINC000944994726	653310640	/nfs/dbraw/zinc/31/06/40/653310640.db2.gz	AWNJMRWHDNNDTO-GHMZBOCLSA-N	0	2	348.363	-0.157	20	5		EBBDLN
CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](CCNS(C)(=O)=O)CC1	ZINC001278051177	817687880	/nfs/dbraw/zinc/68/78/80/817687880.db2.gz	GVYLPUYFUHVGAV-GHMZBOCLSA-N	0	2	348.425	-0.829	20	5		EBBDLN
CCCc1n[nH]c(C(=O)N2CCO[C@@H](c3nn[nH]n3)C2)c1[N+](=O)[O-]	ZINC000364642923	377169002	/nfs/dbraw/zinc/16/90/02/377169002.db2.gz	NUXWTZLQQRHLJQ-MRVPVSSYSA-N	0	2	336.312	-0.003	20	5		EBBDLN
CCCc1[nH]nc(C(=O)N2CCO[C@@H](c3nn[nH]n3)C2)c1[N+](=O)[O-]	ZINC000364642923	377169008	/nfs/dbraw/zinc/16/90/08/377169008.db2.gz	NUXWTZLQQRHLJQ-MRVPVSSYSA-N	0	2	336.312	-0.003	20	5		EBBDLN
CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1	ZINC000598031605	378150703	/nfs/dbraw/zinc/15/07/03/378150703.db2.gz	YCEIZXNUYWTELE-LDYMZIIASA-N	0	2	330.318	-0.158	20	5		EBBDLN
COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1cc([N+](=O)[O-])ccc1O	ZINC000272338278	379836558	/nfs/dbraw/zinc/83/65/58/379836558.db2.gz	HHWHOKDFQAKQBM-JTQLQIEISA-N	0	2	337.288	-0.196	20	5		EBBDLN
O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1cc([N+](=O)[O-])ccc1O	ZINC000826425863	583901097	/nfs/dbraw/zinc/90/10/97/583901097.db2.gz	WYBAPHUNPBIHRZ-UHFFFAOYSA-N	0	2	331.252	-0.289	20	5		EBBDLN
C[N@@H+]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)[C@H](CNC(=O)[O-])C1	ZINC000828507290	583941309	/nfs/dbraw/zinc/94/13/09/583941309.db2.gz	NXFOBDHKAAMVJD-SECBINFHSA-N	0	2	326.313	-0.799	20	5		EBBDLN
C[N@H+]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)[C@H](CNC(=O)[O-])C1	ZINC000828507290	583941310	/nfs/dbraw/zinc/94/13/10/583941310.db2.gz	NXFOBDHKAAMVJD-SECBINFHSA-N	0	2	326.313	-0.799	20	5		EBBDLN
Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)[O-]	ZINC000828507648	583941328	/nfs/dbraw/zinc/94/13/28/583941328.db2.gz	RPRBMVCSOXNQMB-JTQLQIEISA-N	0	2	325.325	-0.043	20	5		EBBDLN
Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)[O-]	ZINC000828507648	583941329	/nfs/dbraw/zinc/94/13/29/583941329.db2.gz	RPRBMVCSOXNQMB-JTQLQIEISA-N	0	2	325.325	-0.043	20	5		EBBDLN
C[C@H]1CN(CCC(=O)[O-])CC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000833628308	584012926	/nfs/dbraw/zinc/01/29/26/584012926.db2.gz	FTBPNCODGFCONF-WCQYABFASA-N	0	2	341.368	-0.367	20	5		EBBDLN
C[C@H]1CN(CCC(=O)[O-])CC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000833628308	584012927	/nfs/dbraw/zinc/01/29/27/584012927.db2.gz	FTBPNCODGFCONF-WCQYABFASA-N	0	2	341.368	-0.367	20	5		EBBDLN
CCONC(=O)CNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-]	ZINC000846495259	584126818	/nfs/dbraw/zinc/12/68/18/584126818.db2.gz	FNXHAAGBEHVWOG-UHFFFAOYSA-N	0	2	325.277	-0.030	20	5		EBBDLN
Cc1nn[nH]c1C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2	ZINC001019245842	728836462	/nfs/dbraw/zinc/83/64/62/728836462.db2.gz	MWKCNHVPJXJHPS-NXEZZACHSA-N	0	2	334.336	-0.547	20	5		EBBDLN
O=C(Cc1ncn[nH]1)N1CC=C(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001017443576	728577355	/nfs/dbraw/zinc/57/73/55/728577355.db2.gz	MMJHQUQTPDBMFZ-GHMZBOCLSA-N	0	2	334.336	-0.713	20	5		EBBDLN
CCC1(NC(=O)c2ncn[nH]2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001069368277	740552264	/nfs/dbraw/zinc/55/22/64/740552264.db2.gz	ONMOQAHONAXNIR-NXEZZACHSA-N	0	2	336.352	-0.029	20	5		EBBDLN
CCC1(NC(=O)c2nc[nH]n2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001069368277	740552267	/nfs/dbraw/zinc/55/22/67/740552267.db2.gz	ONMOQAHONAXNIR-NXEZZACHSA-N	0	2	336.352	-0.029	20	5		EBBDLN
O=C(N[C@H](CO)CN1CCOCC1)c1cc(O)ccc1[N+](=O)[O-]	ZINC000351481833	381626418	/nfs/dbraw/zinc/62/64/18/381626418.db2.gz	FSYMJVVASKLPAJ-JTQLQIEISA-N	0	2	325.321	-0.277	20	5		EBBDLN
O=[N+]([O-])c1c(Nc2ccn(CCO)n2)ncnc1N1CCOCC1	ZINC000598594657	420516808	/nfs/dbraw/zinc/51/68/08/420516808.db2.gz	BRGQYHODXSETJP-UHFFFAOYSA-N	0	2	335.324	0.154	20	5		EBBDLN
COC(=O)c1cc(C)nc(Nc2ccn(CC(N)=O)n2)c1[N+](=O)[O-]	ZINC000342091145	421243074	/nfs/dbraw/zinc/24/30/74/421243074.db2.gz	DTSVRRAOJMWQTG-UHFFFAOYSA-N	0	2	334.292	0.510	20	5		EBBDLN
CCn1cc(S(=O)(=O)NC(=O)CCn2cc([N+](=O)[O-])cn2)cn1	ZINC000749220751	583126879	/nfs/dbraw/zinc/12/68/79/583126879.db2.gz	LKDNNFDNNGJYEX-UHFFFAOYSA-N	0	2	342.337	-0.097	20	5		EBBDLN
C[N@@H+]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)[C@@H](CNC(=O)[O-])C1	ZINC000828501415	583941016	/nfs/dbraw/zinc/94/10/16/583941016.db2.gz	VTHKBORAYBYPFW-JTQLQIEISA-N	0	2	340.340	-0.408	20	5		EBBDLN
C[N@H+]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)[C@@H](CNC(=O)[O-])C1	ZINC000828501415	583941018	/nfs/dbraw/zinc/94/10/18/583941018.db2.gz	VTHKBORAYBYPFW-JTQLQIEISA-N	0	2	340.340	-0.408	20	5		EBBDLN
O=C(CCc1cnn[nH]1)N1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1	ZINC001019014359	728773727	/nfs/dbraw/zinc/77/37/27/728773727.db2.gz	ZIZTZVAZGAWEMS-VXGBXAGGSA-N	0	2	348.363	-0.537	20	5		EBBDLN
CN1CC(C(=O)N2CC3(C2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C3)=NC1=O	ZINC001019385834	728876683	/nfs/dbraw/zinc/87/66/83/728876683.db2.gz	YGDBUYZSOMAOEC-MWLCHTKSSA-N	0	2	349.347	-0.535	20	5		EBBDLN
CN1CC(C(=O)N2CC=C(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)=NC1=O	ZINC001017444155	728577309	/nfs/dbraw/zinc/57/73/09/728577309.db2.gz	SDLHMBXDVGGXCN-ZYHUDNBSSA-N	0	2	349.347	-0.321	20	5		EBBDLN
CCC1(NC(=O)c2cnn[nH]2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001069368077	740552372	/nfs/dbraw/zinc/55/23/72/740552372.db2.gz	KIPQJJKVFUKCOM-MWLCHTKSSA-N	0	2	336.352	-0.029	20	5		EBBDLN
CNS(=O)(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1	ZINC000282801064	376202469	/nfs/dbraw/zinc/20/24/69/376202469.db2.gz	AKAPVQZWIKYHAE-UHFFFAOYSA-N	0	2	344.349	-0.478	20	5		EBBDLN
CCOC(=O)CN(CC(N)=O)C(=O)c1ccc([N+](=O)[O-])cc1O	ZINC000274636367	376600835	/nfs/dbraw/zinc/60/08/35/376600835.db2.gz	PEUYMMQSJCTCBA-UHFFFAOYSA-N	0	2	325.277	-0.209	20	5		EBBDLN
COCc1nnc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)[nH]1	ZINC000594826798	377962947	/nfs/dbraw/zinc/96/29/47/377962947.db2.gz	DTAPPTZUWMHUJG-UHFFFAOYSA-N	0	2	328.310	-0.267	20	5		EBBDLN
NS(=O)(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1	ZINC000273258190	379117944	/nfs/dbraw/zinc/11/79/44/379117944.db2.gz	SQELKUIESVVPTE-UHFFFAOYSA-N	0	2	330.322	-0.738	20	5		EBBDLN
CN(C)S(=O)(=O)N1CC(NC(=O)c2ccc([N+](=O)[O-])cc2O)C1	ZINC000600708684	379658623	/nfs/dbraw/zinc/65/86/23/379658623.db2.gz	DZURXCKQLGUAIH-UHFFFAOYSA-N	0	2	344.349	-0.479	20	5		EBBDLN
CS(=O)(=O)Nc1nnc(NC(=O)Cn2ccc([N+](=O)[O-])n2)s1	ZINC000340938476	419124612	/nfs/dbraw/zinc/12/46/12/419124612.db2.gz	WIBPOZBAJCSVQC-UHFFFAOYSA-N	0	2	347.338	-0.347	20	5		EBBDLN
CS(=O)(=O)Nc1nnc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)s1	ZINC000344181698	420580388	/nfs/dbraw/zinc/58/03/88/420580388.db2.gz	ANJZSXBOSPJFJL-UHFFFAOYSA-N	0	2	332.323	0.398	20	5		EBBDLN
O=C(NN1CC(=O)NC1=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1	ZINC000763432721	583260832	/nfs/dbraw/zinc/26/08/32/583260832.db2.gz	FRHKPARKRHVPBD-UHFFFAOYSA-N	0	2	330.260	-0.023	20	5		EBBDLN
CCONC(=O)CNC(=O)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1	ZINC000846132741	584121573	/nfs/dbraw/zinc/12/15/73/584121573.db2.gz	AUUBPAQDMWKDRF-UHFFFAOYSA-N	0	2	340.292	-0.274	20	5		EBBDLN
Cc1nn[nH]c1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC000969001313	725140712	/nfs/dbraw/zinc/14/07/12/725140712.db2.gz	JNZLFALLYKQEMR-LMLFDSFASA-N	0	2	334.336	-0.406	20	5		EBBDLN
O=C(CCc1cnn[nH]1)N1CC=C(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001017446473	728577600	/nfs/dbraw/zinc/57/76/00/728577600.db2.gz	PMGUDDKMJDXYQS-CHWSQXEVSA-N	0	2	348.363	-0.323	20	5		EBBDLN
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[NH+](Cc1n[nH]c(=O)[n-]1)CC2	ZINC001050517593	734916676	/nfs/dbraw/zinc/91/66/76/734916676.db2.gz	VVSJNWANKFPLBP-NXEZZACHSA-N	0	2	336.352	-0.400	20	5		EBBDLN
O=C(NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1ccc2[nH]nnc2c1	ZINC000991371626	809370421	/nfs/dbraw/zinc/37/04/21/809370421.db2.gz	RRZFCNUHZFKEEF-BXKDBHETSA-N	0	2	330.304	-0.436	20	5		EBBDLN
CN(C[C@@H](O)C[NH+]1CCOCC1)c1ncc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC001337926175	842721284	/nfs/dbraw/zinc/72/12/84/842721284.db2.gz	PDNODMICVDFXLR-LLVKDONJSA-N	0	2	340.336	-0.183	20	5		EBBDLN
NS(=O)(=O)NC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1	ZINC000600563005	376438083	/nfs/dbraw/zinc/43/80/83/376438083.db2.gz	SXMPESJUELXVRS-UHFFFAOYSA-N	0	2	344.349	-0.302	20	5		EBBDLN
O=C(N[C@@H](CO)CN1CCOCC1)c1cccc(O)c1[N+](=O)[O-]	ZINC000597618987	378116157	/nfs/dbraw/zinc/11/61/57/378116157.db2.gz	XWYYPEOGVUPMCY-SNVBAGLBSA-N	0	2	325.321	-0.277	20	5		EBBDLN
COc1cc(OC)nc(NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])n1	ZINC000600667768	379658793	/nfs/dbraw/zinc/65/87/93/379658793.db2.gz	HSGLBBACRKOPHK-UHFFFAOYSA-N	0	2	344.309	-0.064	20	5		EBBDLN
O=C(N[C@@H](CO)CN1CCOCC1)c1ccc([N+](=O)[O-])cc1O	ZINC000436555312	265241662	/nfs/dbraw/zinc/24/16/62/265241662.db2.gz	LVGCSCHETMARNG-SNVBAGLBSA-N	0	2	325.321	-0.277	20	5		EBBDLN
COC(=O)Cn1cc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)nn1	ZINC000442260289	265318907	/nfs/dbraw/zinc/31/89/07/265318907.db2.gz	YVSHKSWGFLGZCO-UHFFFAOYSA-N	0	2	335.276	-0.005	20	5		EBBDLN
NC(=O)CONC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-]	ZINC000772931472	583367531	/nfs/dbraw/zinc/36/75/31/583367531.db2.gz	LAZOQDAJKVFUEG-UHFFFAOYSA-N	0	2	328.306	-0.681	20	5		EBBDLN
CCONC(=O)CNc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-]	ZINC000843768711	584082675	/nfs/dbraw/zinc/08/26/75/584082675.db2.gz	KARCBTOWSCHVQY-UHFFFAOYSA-N	0	2	332.338	-0.018	20	5		EBBDLN
O=C(CCc1cnn[nH]1)N1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC000948466903	653546764	/nfs/dbraw/zinc/54/67/64/653546764.db2.gz	MBQIDQURJLHVDV-VXGBXAGGSA-N	0	2	336.352	-0.490	20	5		EBBDLN
Cc1ncc(C(=O)N2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@H]3C2)[nH]1	ZINC000961198713	722915013	/nfs/dbraw/zinc/91/50/13/722915013.db2.gz	VMKTZVCJEGEYEF-LSCVPOLPSA-N	0	2	333.348	-0.086	20	5		EBBDLN
O=C(CCc1cnn[nH]1)N1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2	ZINC001019455332	728889233	/nfs/dbraw/zinc/88/92/33/728889233.db2.gz	PNURJDCKMDHOCH-VXGBXAGGSA-N	0	2	348.363	-0.537	20	5		EBBDLN
O=C(c1ccc([N+](=O)[O-])cc1O)N1CCN2[C@H](CNS2(=O)=O)C1	ZINC001303994430	821761291	/nfs/dbraw/zinc/76/12/91/821761291.db2.gz	WTCGTDZHSJFHDO-SECBINFHSA-N	0	2	342.333	-0.725	20	5		EBBDLN
CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1cccc(O)c1[N+](=O)[O-]	ZINC000598019924	378146975	/nfs/dbraw/zinc/14/69/75/378146975.db2.gz	APYRKJXJINWIRF-WCBMZHEXSA-N	0	2	330.318	-0.158	20	5		EBBDLN
Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC2(c3nnc[nH]3)CCC2)n1	ZINC000599305826	378221840	/nfs/dbraw/zinc/22/18/40/378221840.db2.gz	WTVRZXYFQJGOAE-UHFFFAOYSA-N	0	2	327.326	-0.196	20	5		EBBDLN
CC(C)NS(=O)(=O)NCCNC(=O)c1ccc([N+](=O)[O-])cc1O	ZINC000277567180	379492367	/nfs/dbraw/zinc/49/23/67/379492367.db2.gz	NRKSCJBSJVIEMU-UHFFFAOYSA-N	0	2	346.365	-0.137	20	5		EBBDLN
O=C(N[C@@H](CO)CN1CCOCC1)c1cc(O)ccc1[N+](=O)[O-]	ZINC000351481834	379614217	/nfs/dbraw/zinc/61/42/17/379614217.db2.gz	FSYMJVVASKLPAJ-SNVBAGLBSA-N	0	2	325.321	-0.277	20	5		EBBDLN
CN(C)C(=O)Cn1ccc(Nc2nccc(C(N)=O)c2[N+](=O)[O-])n1	ZINC000357502551	421183270	/nfs/dbraw/zinc/18/32/70/421183270.db2.gz	LDOVFKFWRSMXQO-UHFFFAOYSA-N	0	2	333.308	0.117	20	5		EBBDLN
O=C(NN1CC(=O)NC1=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000742783042	583082914	/nfs/dbraw/zinc/08/29/14/583082914.db2.gz	SYTPNXQONJBLOZ-UHFFFAOYSA-N	0	2	330.260	-0.023	20	5		EBBDLN
O=C(NCc1ccnc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC000839723355	583192035	/nfs/dbraw/zinc/19/20/35/583192035.db2.gz	RMTKCKJVLINFSJ-GWOFURMSSA-N	0	2	349.303	-0.033	20	5		EBBDLN
CN1C(=O)CN(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1=O	ZINC000776246702	583402396	/nfs/dbraw/zinc/40/23/96/583402396.db2.gz	SKJYCANRXWIQNY-UHFFFAOYSA-N	0	2	336.260	-0.095	20	5		EBBDLN
Cc1nn(CCn2ccc([N+](=O)[O-])n2)c(=O)c(-c2nn[nH]n2)c1C	ZINC000822500761	583811677	/nfs/dbraw/zinc/81/16/77/583811677.db2.gz	FLVLBNXDCZAHIU-UHFFFAOYSA-N	0	2	331.296	-0.155	20	5		EBBDLN
C[C@H](NC(=O)[O-])[C@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1	ZINC000825349894	583859099	/nfs/dbraw/zinc/85/90/99/583859099.db2.gz	FSGXIGFGXATCJD-ZMLRMANQSA-N	0	2	343.340	-0.491	20	5		EBBDLN
C[C@H](NC(=O)[O-])[C@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1	ZINC000825349894	583859100	/nfs/dbraw/zinc/85/91/00/583859100.db2.gz	FSGXIGFGXATCJD-ZMLRMANQSA-N	0	2	343.340	-0.491	20	5		EBBDLN
Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)[O-]	ZINC000828507649	583941262	/nfs/dbraw/zinc/94/12/62/583941262.db2.gz	RPRBMVCSOXNQMB-SNVBAGLBSA-N	0	2	325.325	-0.043	20	5		EBBDLN
Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)[O-]	ZINC000828507649	583941263	/nfs/dbraw/zinc/94/12/63/583941263.db2.gz	RPRBMVCSOXNQMB-SNVBAGLBSA-N	0	2	325.325	-0.043	20	5		EBBDLN
COc1cc(C)[nH]c(=NNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])n1	ZINC000863406223	584369881	/nfs/dbraw/zinc/36/98/81/584369881.db2.gz	YQKGDDRWTDXAID-UHFFFAOYSA-N	0	2	343.325	-0.259	20	5		EBBDLN
Cc1ncc(C(=O)N2CC3(C2)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCO3)[nH]1	ZINC000965375098	724207595	/nfs/dbraw/zinc/20/75/95/724207595.db2.gz	JPNNPAOQKIMTKQ-ZYHUDNBSSA-N	0	2	349.347	-0.563	20	5		EBBDLN
COc1nc(Nc2c(O)[nH]c(=O)[nH]c2=S)nc(OC)c1[N+](=O)[O-]	ZINC001160849464	831895186	/nfs/dbraw/zinc/89/51/86/831895186.db2.gz	PXCKPIKRHSBYHE-VKHMYHEASA-N	0	2	342.293	-0.651	20	5		EBBDLN
O=C(N[C@@H](CO)CN1CCOCC1)c1ccc([N+](=O)[O-])c(O)c1	ZINC000339214747	376647052	/nfs/dbraw/zinc/64/70/52/376647052.db2.gz	KKHZTNIDYUKVJA-LLVKDONJSA-N	0	2	325.321	-0.277	20	5		EBBDLN
CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCc1n[nH]c(=O)[nH]1	ZINC000488975536	379309187	/nfs/dbraw/zinc/30/91/87/379309187.db2.gz	KGLMFBDXBGMJBE-SSDOTTSWSA-N	0	2	338.328	-0.033	20	5		EBBDLN
O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)NCc1n[nH]c(=O)[nH]1	ZINC000443509281	265353776	/nfs/dbraw/zinc/35/37/76/265353776.db2.gz	IJOYMFLGLDZCAK-UHFFFAOYSA-N	0	2	349.307	-0.466	20	5		EBBDLN
Cn1cc(-c2nn[nH]n2)c(=O)n(Cc2c(F)cccc2[N+](=O)[O-])c1=O	ZINC000826356851	583893703	/nfs/dbraw/zinc/89/37/03/583893703.db2.gz	IISLYZQBOPJZIP-UHFFFAOYSA-N	0	2	347.266	-0.177	20	5		EBBDLN
C[C@@H]1CN(CCC(=O)[O-])CC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000833628309	584012836	/nfs/dbraw/zinc/01/28/36/584012836.db2.gz	FTBPNCODGFCONF-YPMHNXCESA-N	0	2	341.368	-0.367	20	5		EBBDLN
C[C@@H]1CN(CCC(=O)[O-])CC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000833628309	584012838	/nfs/dbraw/zinc/01/28/38/584012838.db2.gz	FTBPNCODGFCONF-YPMHNXCESA-N	0	2	341.368	-0.367	20	5		EBBDLN
Cc1nc(CN2CC(N3CCN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])CC3)C2)n[nH]1	ZINC000941407213	652719721	/nfs/dbraw/zinc/71/97/21/652719721.db2.gz	MXLHQGXDYSRQMN-CHWSQXEVSA-N	0	2	349.395	-0.893	20	5		EBBDLN
O=C(Cc1ncn[nH]1)N1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2	ZINC000944936313	653294511	/nfs/dbraw/zinc/29/45/11/653294511.db2.gz	QXPGMVYYXNWJMB-GHMZBOCLSA-N	0	2	348.363	-0.537	20	5		EBBDLN
Cc1nn[nH]c1C(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC000952757854	654498421	/nfs/dbraw/zinc/49/84/21/654498421.db2.gz	BJHKDRQPCLXEQR-WRWGMCAJSA-N	0	2	348.363	-0.016	20	5		EBBDLN
CN1CC(C(=O)NCC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCC2)=NC1=O	ZINC001064376276	739280742	/nfs/dbraw/zinc/28/07/42/739280742.db2.gz	YGKRWPVYWKNLCR-PSASIEDQSA-N	0	2	337.336	-0.440	20	5		EBBDLN
COC(=O)c1cnc(Nc2c(O)[nH]c(=O)[nH]c2=S)c([N+](=O)[O-])c1	ZINC001160850300	831895105	/nfs/dbraw/zinc/89/51/05/831895105.db2.gz	XBDOPCDDFWAOAA-ZCFIWIBFSA-N	0	2	339.289	-0.276	20	5		EBBDLN
O=C(NCCn1cc([N+](=O)[O-])cn1)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1	ZINC000427578373	376848445	/nfs/dbraw/zinc/84/84/45/376848445.db2.gz	GDRWDSMLDJLBPL-UHFFFAOYSA-N	0	2	345.275	-0.029	20	5		EBBDLN
COC(=O)Cn1cc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])nn1	ZINC000354204723	379705507	/nfs/dbraw/zinc/70/55/07/379705507.db2.gz	DQLOMIGFRDHOFI-UHFFFAOYSA-N	0	2	335.276	-0.005	20	5		EBBDLN
C[N@H+](CC(=O)[O-])[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@@H]1O	ZINC000343944232	156191351	/nfs/dbraw/zinc/19/13/51/156191351.db2.gz	VUHONFHPTLNDOX-JQWIXIFHSA-N	0	2	339.304	-0.498	20	5		EBBDLN
C[N@@H+](CC(=O)[O-])[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@@H]1O	ZINC000343944232	156191355	/nfs/dbraw/zinc/19/13/55/156191355.db2.gz	VUHONFHPTLNDOX-JQWIXIFHSA-N	0	2	339.304	-0.498	20	5		EBBDLN
CS(=O)(=O)N1CC(CNC(=O)c2cc([N+](=O)[O-])ccc2O)C1	ZINC000436838463	265243357	/nfs/dbraw/zinc/24/33/57/265243357.db2.gz	KTEONZRPVSMKGY-UHFFFAOYSA-N	0	2	329.334	-0.078	20	5		EBBDLN
Cc1ncc([N+](=O)[O-])n1CCOC(=O)Cn1[nH]cc2c(=O)ncnc1-2	ZINC000730690520	582831714	/nfs/dbraw/zinc/83/17/14/582831714.db2.gz	WWXOLYGFVFFEEB-UHFFFAOYSA-N	0	2	347.291	-0.272	20	5		EBBDLN
O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)OCc1n[nH]c(=O)[nH]1	ZINC000774893938	583391947	/nfs/dbraw/zinc/39/19/47/583391947.db2.gz	JHYSBUMBUANAJO-UHFFFAOYSA-N	0	2	349.259	-0.113	20	5		EBBDLN
C[C@H](NC(=O)[O-])[C@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1	ZINC000825349891	583859022	/nfs/dbraw/zinc/85/90/22/583859022.db2.gz	FSGXIGFGXATCJD-MVWJERBFSA-N	0	2	343.340	-0.491	20	5		EBBDLN
C[C@H](NC(=O)[O-])[C@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1	ZINC000825349891	583859023	/nfs/dbraw/zinc/85/90/23/583859023.db2.gz	FSGXIGFGXATCJD-MVWJERBFSA-N	0	2	343.340	-0.491	20	5		EBBDLN
Cc1nn(C)c(C(=O)N2CC[N@H+](C)C[C@@H]2CNC(=O)[O-])c1[N+](=O)[O-]	ZINC000830846967	583971339	/nfs/dbraw/zinc/97/13/39/583971339.db2.gz	SVZBODZEJZUEST-VIFPVBQESA-N	0	2	340.340	-0.339	20	5		EBBDLN
Cc1nn(C)c(C(=O)N2CC[N@@H+](C)C[C@@H]2CNC(=O)[O-])c1[N+](=O)[O-]	ZINC000830846967	583971341	/nfs/dbraw/zinc/97/13/41/583971341.db2.gz	SVZBODZEJZUEST-VIFPVBQESA-N	0	2	340.340	-0.339	20	5		EBBDLN
CN(C(=O)c1ccc2[nH]nnc2c1)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC000954249214	719636609	/nfs/dbraw/zinc/63/66/09/719636609.db2.gz	DRQOFBQRATZHRV-ZWNOBZJWSA-N	0	2	344.331	-0.094	20	5		EBBDLN
O=C(NC[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1cnn[nH]1	ZINC000963967736	723512282	/nfs/dbraw/zinc/51/22/82/723512282.db2.gz	KQJCGRHZARXTIZ-DNRKLUKYSA-N	0	2	336.352	-0.125	20	5		EBBDLN
O=C(Cc1ncn[nH]1)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC000969004072	725141037	/nfs/dbraw/zinc/14/10/37/725141037.db2.gz	YUSZAGPKMOTOIV-LMLFDSFASA-N	0	2	334.336	-0.786	20	5		EBBDLN
O=C(NC1CC2(C1)CC(NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2)c1cnn[nH]1	ZINC001014001068	727867844	/nfs/dbraw/zinc/86/78/44/727867844.db2.gz	VBQREJUAEJHMOU-FEVLBPGZSA-N	0	2	334.336	-0.373	20	5		EBBDLN
O=C(Cc1ncn[nH]1)N(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1	ZINC001294594961	820954474	/nfs/dbraw/zinc/95/44/74/820954474.db2.gz	OWEYIPQUIZGAPH-GHMZBOCLSA-N	0	2	336.352	-0.490	20	5		EBBDLN
O=C(CCc1cnn[nH]1)N(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1	ZINC001356614606	1130885733	/nfs/dbraw/zinc/88/57/33/1130885733.db2.gz	SURZCCYUVPZOJQ-VXGBXAGGSA-N	0	2	336.352	-0.490	20	5		EBBDLN
COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1ccc([N+](=O)[O-])cc1O	ZINC000274680982	379073296	/nfs/dbraw/zinc/07/32/96/379073296.db2.gz	IIICWHHWCSKTRA-SNVBAGLBSA-N	0	2	337.288	-0.196	20	5		EBBDLN
O=C(CN1CCS(=O)(=O)CC1)Nc1cc([N+](=O)[O-])ccc1O	ZINC000271613256	379759350	/nfs/dbraw/zinc/75/93/50/379759350.db2.gz	VNRUEHPZXIWRBR-UHFFFAOYSA-N	0	2	329.334	-0.031	20	5		EBBDLN
COC(=O)Cn1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2O)nn1	ZINC000436958271	265243987	/nfs/dbraw/zinc/24/39/87/265243987.db2.gz	FYEWPWFNLCOTFZ-UHFFFAOYSA-N	0	2	335.276	-0.005	20	5		EBBDLN
CS(=O)(=O)c1cc(C(=O)NN2CN=NC2=O)cc([N+](=O)[O-])c1	ZINC000782123746	583465278	/nfs/dbraw/zinc/46/52/78/583465278.db2.gz	LKROHVYASZTRHM-UHFFFAOYSA-N	0	2	327.278	-0.321	20	5		EBBDLN
CCONC(=O)CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC	ZINC000846131715	584121554	/nfs/dbraw/zinc/12/15/54/584121554.db2.gz	NKCPHDLVWZWGMZ-UHFFFAOYSA-N	0	2	340.292	-0.274	20	5		EBBDLN
CCONC(=O)CNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000857723749	584279592	/nfs/dbraw/zinc/27/95/92/584279592.db2.gz	CDTXLWYJAHUEDC-UHFFFAOYSA-N	0	2	339.308	-0.100	20	5		EBBDLN
O=C(CCc1cnn[nH]1)N1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@H]2C1	ZINC000961550514	723036792	/nfs/dbraw/zinc/03/67/92/723036792.db2.gz	INDPNKCZABTCIO-LYIQGSDWSA-N	0	2	348.363	-0.681	20	5		EBBDLN
O=C(Cc1ncn[nH]1)N1[C@@H]2CC[C@H]1CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2	ZINC000970066647	725246555	/nfs/dbraw/zinc/24/65/55/725246555.db2.gz	FQBRMOXDOZWFBN-LMLFDSFASA-N	0	2	334.336	-0.786	20	5		EBBDLN
Cc1nc(CN2CC3(C2)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCO3)n[nH]1	ZINC001053253801	735799364	/nfs/dbraw/zinc/79/93/64/735799364.db2.gz	YUBSLICVSOVOMO-GHMZBOCLSA-N	0	2	336.352	-0.808	20	5		EBBDLN
CN(C[C@@H](O)C[NH+]1CCOCC1)c1nccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC001261503115	812920808	/nfs/dbraw/zinc/92/08/08/812920808.db2.gz	MIYRTDPWIROEEI-SNVBAGLBSA-N	0	2	340.336	-0.183	20	5		EBBDLN
O=C(NCCC1=CC[N@H+](Cc2n[nH]c(=O)[n-]2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001160096958	831814311	/nfs/dbraw/zinc/81/43/11/831814311.db2.gz	CNNNYBRZOWUHFM-GHMZBOCLSA-N	0	2	336.352	-0.186	20	5		EBBDLN
O=C(NCCC1=CC[N@@H+](Cc2n[nH]c(=O)[n-]2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001160096958	831814318	/nfs/dbraw/zinc/81/43/18/831814318.db2.gz	CNNNYBRZOWUHFM-GHMZBOCLSA-N	0	2	336.352	-0.186	20	5		EBBDLN
C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCc1n[nH]c(=O)[nH]1	ZINC000358951760	375972899	/nfs/dbraw/zinc/97/28/99/375972899.db2.gz	LPHFRTLLQJCBTA-SSDOTTSWSA-N	0	2	334.292	-0.147	20	5		EBBDLN
O=C([O-])C[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000008699060	376586650	/nfs/dbraw/zinc/58/66/50/376586650.db2.gz	XJBAEPPFXMRAGQ-UHFFFAOYSA-N	0	2	329.334	-0.014	20	5		EBBDLN
O=C(N[C@H](CO)CN1CCOCC1)c1ccc([N+](=O)[O-])c(O)c1	ZINC000339214752	155696532	/nfs/dbraw/zinc/69/65/32/155696532.db2.gz	KKHZTNIDYUKVJA-NSHDSACASA-N	0	2	325.321	-0.277	20	5		EBBDLN
O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NCc1n[nH]c(=O)[nH]1	ZINC000359835004	157347398	/nfs/dbraw/zinc/34/73/98/157347398.db2.gz	VJSGKCQOWCCKAF-UHFFFAOYSA-N	0	2	334.292	-0.145	20	5		EBBDLN
O=C(NCCN1CCS(=O)(=O)CC1)c1ccc([N+](=O)[O-])cc1O	ZINC000436961944	265243914	/nfs/dbraw/zinc/24/39/14/265243914.db2.gz	VTIBUXVPLLAHSO-UHFFFAOYSA-N	0	2	343.361	-0.239	20	5		EBBDLN
CNC(=O)Cn1cnc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])n1	ZINC000437301063	265246836	/nfs/dbraw/zinc/24/68/36/265246836.db2.gz	FYJNBSWCBAFYMZ-UHFFFAOYSA-N	0	2	340.321	-0.267	20	5		EBBDLN
O=C(Cn1[nH]cc2c(=O)ncnc1-2)OCCn1cc([N+](=O)[O-])cn1	ZINC000748124433	583118076	/nfs/dbraw/zinc/11/80/76/583118076.db2.gz	DDFRPCNEMYCTMM-UHFFFAOYSA-N	0	2	333.264	-0.581	20	5		EBBDLN
O=C(CC1OCCCO1)NS(=O)(=O)c1ccc([N+](=O)[O-])nc1	ZINC000793165905	583564632	/nfs/dbraw/zinc/56/46/32/583564632.db2.gz	ISZKZJBGYWNCOI-UHFFFAOYSA-N	0	2	331.306	-0.052	20	5		EBBDLN
O=C(C[C@@H]1CCCC(=O)N1)NS(=O)(=O)c1ccc([N+](=O)[O-])nc1	ZINC000808990132	583673780	/nfs/dbraw/zinc/67/37/80/583673780.db2.gz	CNVGBCSEEXNDBR-QMMMGPOBSA-N	0	2	342.333	-0.147	20	5		EBBDLN
O=C(Cc1ncn[nH]1)N1CCC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC000949511480	653915107	/nfs/dbraw/zinc/91/51/07/653915107.db2.gz	GREGKWZPEUZRGZ-GHMZBOCLSA-N	0	2	336.352	-0.633	20	5		EBBDLN
CN1CC(C(=O)N2CCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)=NC1=O	ZINC001019015433	728774129	/nfs/dbraw/zinc/77/41/29/728774129.db2.gz	WQVYROZDKCIVNB-MWLCHTKSSA-N	0	2	349.347	-0.535	20	5		EBBDLN
C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCc1n[nH]c(=O)[nH]1	ZINC000358951763	375973111	/nfs/dbraw/zinc/97/31/11/375973111.db2.gz	LPHFRTLLQJCBTA-ZETCQYMHSA-N	0	2	334.292	-0.147	20	5		EBBDLN
Cn1nncc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1NCCO	ZINC000616175479	377458176	/nfs/dbraw/zinc/45/81/76/377458176.db2.gz	CKQYQFDVJAZBSX-UHFFFAOYSA-N	0	2	342.337	-0.072	20	5		EBBDLN
CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O	ZINC000598030311	378149085	/nfs/dbraw/zinc/14/90/85/378149085.db2.gz	UGHONXGQSWNZFH-MWLCHTKSSA-N	0	2	330.318	-0.158	20	5		EBBDLN
CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1cc(O)ccc1[N+](=O)[O-]	ZINC000598027614	378149292	/nfs/dbraw/zinc/14/92/92/378149292.db2.gz	LLVVDMLKNNRDAC-GXSJLCMTSA-N	0	2	330.318	-0.158	20	5		EBBDLN
NS(=O)(=O)NC1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])CC1	ZINC000600561350	379653811	/nfs/dbraw/zinc/65/38/11/379653811.db2.gz	DQYVOCWSXXIJDC-UHFFFAOYSA-N	0	2	344.349	-0.302	20	5		EBBDLN
O=C(NCCN1CCS(=O)(=O)CC1)c1cc([N+](=O)[O-])ccc1O	ZINC000272355541	379838997	/nfs/dbraw/zinc/83/89/97/379838997.db2.gz	DGUGFAXQNLZDMK-UHFFFAOYSA-N	0	2	343.361	-0.239	20	5		EBBDLN
O=C(CN1CC(=O)NC1=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1	ZINC000348826104	379946488	/nfs/dbraw/zinc/94/64/88/379946488.db2.gz	FESIVOQUBKRUKN-UHFFFAOYSA-N	0	2	345.275	-0.130	20	5		EBBDLN
NC(=O)c1cn(C2CN(C(=O)c3ccc([N+](=O)[O-])cc3O)C2)nn1	ZINC000436923664	265243982	/nfs/dbraw/zinc/24/39/82/265243982.db2.gz	DFORRIYYGQQROQ-UHFFFAOYSA-N	0	2	332.276	-0.312	20	5		EBBDLN
CNC(=O)Cn1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)n1	ZINC000437316005	265246550	/nfs/dbraw/zinc/24/65/50/265246550.db2.gz	SWWNGYTWGZHOMW-UHFFFAOYSA-N	0	2	346.350	-0.205	20	5		EBBDLN
Cn1cc(S(=O)(=O)NC(=O)CCn2cc([N+](=O)[O-])cn2)cn1	ZINC000741110809	583069150	/nfs/dbraw/zinc/06/91/50/583069150.db2.gz	QZCCFMXNJVCFSY-UHFFFAOYSA-N	0	2	328.310	-0.580	20	5		EBBDLN
C[C@H](NC(=O)[O-])[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1	ZINC000825349890	583858997	/nfs/dbraw/zinc/85/89/97/583858997.db2.gz	FSGXIGFGXATCJD-DLOVCJGASA-N	0	2	343.340	-0.491	20	5		EBBDLN
C[C@H](NC(=O)[O-])[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1	ZINC000825349890	583858999	/nfs/dbraw/zinc/85/89/99/583858999.db2.gz	FSGXIGFGXATCJD-DLOVCJGASA-N	0	2	343.340	-0.491	20	5		EBBDLN
O=C(NCC1CN(C(=O)c2cccc3nn[nH]c32)C1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001001810851	726624687	/nfs/dbraw/zinc/62/46/87/726624687.db2.gz	UIYQNJYKPIKLAD-ZYHUDNBSSA-N	0	2	344.331	-0.189	20	5		EBBDLN
CN(CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CCc1cnn[nH]1	ZINC001067389715	740128677	/nfs/dbraw/zinc/12/86/77/740128677.db2.gz	LVYLOMCSMREQER-VXGBXAGGSA-N	0	2	338.368	-0.291	20	5		EBBDLN
CN1CC(C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)=NC1=O	ZINC000979758858	805533311	/nfs/dbraw/zinc/53/33/11/805533311.db2.gz	WWBBHGXLBHWUII-TURQNECASA-N	0	2	337.336	-0.585	20	5		EBBDLN
O=C(NC1CN(C(=O)c2cc(C(F)F)[nH]n2)C1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC000991296537	809252504	/nfs/dbraw/zinc/25/25/04/809252504.db2.gz	RBAOSBICCZWRQH-HZGVNTEJSA-N	0	2	329.263	-0.047	20	5		EBBDLN
O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC(c2n[nH]c(=O)[nH]2)CC1	ZINC000535842834	375950121	/nfs/dbraw/zinc/95/01/21/375950121.db2.gz	AKTATYPYMBEFKK-UHFFFAOYSA-N	0	2	348.319	-0.014	20	5		EBBDLN
CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1O	ZINC000598031018	378150975	/nfs/dbraw/zinc/15/09/75/378150975.db2.gz	WEENHZNESIPWIJ-GXSJLCMTSA-N	0	2	330.318	-0.158	20	5		EBBDLN
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](CO)CC(F)(F)F)n1	ZINC000599264083	378215453	/nfs/dbraw/zinc/21/54/53/378215453.db2.gz	CCFINWRGZJHKOX-RXMQYKEDSA-N	0	2	332.260	-0.080	20	5		EBBDLN
COC(=O)[C@H](NS(=O)(=O)Cc1ccccc1[N+](=O)[O-])[C@H](C)O	ZINC000275863545	379471769	/nfs/dbraw/zinc/47/17/69/379471769.db2.gz	ZCORIYLASHIAKS-GZMMTYOYSA-N	0	2	332.334	-0.063	20	5		EBBDLN
O=C([O-])C[NH+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000261673790	154195781	/nfs/dbraw/zinc/19/57/81/154195781.db2.gz	LQXPPUQJGVRMKV-UHFFFAOYSA-N	0	2	329.334	-0.014	20	5		EBBDLN
NS(=O)(=O)CCOCCNC(=O)c1cc([N+](=O)[O-])ccc1O	ZINC000297116929	419980499	/nfs/dbraw/zinc/98/04/99/419980499.db2.gz	OUCNMXLZPFZCMA-UHFFFAOYSA-N	0	2	333.322	-0.665	20	5		EBBDLN
CCn1cc(-c2nn[nH]n2)c(=O)n(CCn2ccc([N+](=O)[O-])n2)c1=O	ZINC000821565522	583793060	/nfs/dbraw/zinc/79/30/60/583793060.db2.gz	WUXJRGYPXCOVMS-UHFFFAOYSA-N	0	2	347.295	-0.985	20	5		EBBDLN
O=C(N[C@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1cnn[nH]1	ZINC000963981627	723513664	/nfs/dbraw/zinc/51/36/64/723513664.db2.gz	ULKNFFATDLXZKW-DNRKLUKYSA-N	0	2	336.352	-0.125	20	5		EBBDLN
O=C([O-])CS(=O)(=O)CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1	ZINC001595123561	951987318	/nfs/dbraw/zinc/98/73/18/951987318.db2.gz	ICTWRHNMVJQPNA-UHFFFAOYSA-N	0	2	346.365	-0.072	20	5		EBBDLN
O=C(NCCN1CCS(=O)(=O)CC1)c1cc(O)ccc1[N+](=O)[O-]	ZINC000350126186	376473818	/nfs/dbraw/zinc/47/38/18/376473818.db2.gz	JWLRADHCXLUYNW-UHFFFAOYSA-N	0	2	343.361	-0.239	20	5		EBBDLN
COC(=O)[C@@H](NS(=O)(=O)Cc1ccccc1[N+](=O)[O-])[C@H](C)O	ZINC000275863547	379472268	/nfs/dbraw/zinc/47/22/68/379472268.db2.gz	ZCORIYLASHIAKS-KWQFWETISA-N	0	2	332.334	-0.063	20	5		EBBDLN
O=C([O-])C[NH+]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000261664912	154196604	/nfs/dbraw/zinc/19/66/04/154196604.db2.gz	KXUSGCOEXVTKMB-UHFFFAOYSA-N	0	2	329.334	-0.014	20	5		EBBDLN
Cn1c(C(=O)Nc2nnc(NS(C)(=O)=O)s2)ccc1[N+](=O)[O-]	ZINC000340928291	420594937	/nfs/dbraw/zinc/59/49/37/420594937.db2.gz	MFGDCSZKJNDZNI-UHFFFAOYSA-N	0	2	346.350	0.409	20	5		EBBDLN
CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCc1n[nH]c(=O)[nH]1	ZINC000488975544	420894520	/nfs/dbraw/zinc/89/45/20/420894520.db2.gz	KGLMFBDXBGMJBE-ZETCQYMHSA-N	0	2	338.328	-0.033	20	5		EBBDLN
CN(C)S(=O)(=O)NCCNC(=O)c1cc(O)ccc1[N+](=O)[O-]	ZINC000353130974	289261725	/nfs/dbraw/zinc/26/17/25/289261725.db2.gz	YBEXOQLMSUYXNR-UHFFFAOYSA-N	0	2	332.338	-0.574	20	5		EBBDLN
CN(C)c1noc(CNS(=O)(=O)c2ncccc2[N+](=O)[O-])n1	ZINC000849388882	584169076	/nfs/dbraw/zinc/16/90/76/584169076.db2.gz	YZFRPQWHAPLDHY-UHFFFAOYSA-N	0	2	328.310	-0.083	20	5		EBBDLN
CN(CC[NH+]1CCN(C(=O)[O-])CC1)C(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000739686079	602495655	/nfs/dbraw/zinc/49/56/55/602495655.db2.gz	WJIJMRNRVLVUOP-UHFFFAOYSA-N	0	2	340.340	-0.455	20	5		EBBDLN
CN1CC(C(=O)N2CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)=NC1=O	ZINC000941012460	653377922	/nfs/dbraw/zinc/37/79/22/653377922.db2.gz	CMEQYAAJZVBNKO-MWLCHTKSSA-N	0	2	337.336	-0.535	20	5		EBBDLN
CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)c2ccc3[nH]nnc3c2)C1	ZINC000954244412	719632562	/nfs/dbraw/zinc/63/25/62/719632562.db2.gz	ZTTVQXAFZXXAQO-ZWNOBZJWSA-N	0	2	344.331	-0.094	20	5		EBBDLN
CN(C(=O)Cc1ncn[nH]1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC000954833695	719927318	/nfs/dbraw/zinc/92/73/18/719927318.db2.gz	UNHYYWGNRAUKDA-GHMZBOCLSA-N	0	2	336.352	-0.538	20	5		EBBDLN
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)N2Cc1n[nH]c(=O)[nH]1	ZINC001039583112	731452141	/nfs/dbraw/zinc/45/21/41/731452141.db2.gz	DBHYCHPGXWZELD-LMLFDSFASA-N	0	2	336.352	-0.259	20	5		EBBDLN
O=C(CCc1cnn[nH]1)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1	ZINC001064579236	739301912	/nfs/dbraw/zinc/30/19/12/739301912.db2.gz	YJTPFIUKHDRJBT-GHMZBOCLSA-N	0	2	336.352	-0.442	20	5		EBBDLN
CN(CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)C1=NC(=O)N(C)C1	ZINC001067388613	740128287	/nfs/dbraw/zinc/12/82/87/740128287.db2.gz	IFNNBRQCASIBFR-MWLCHTKSSA-N	0	2	339.352	-0.289	20	5		EBBDLN
O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1	ZINC000559276034	376003347	/nfs/dbraw/zinc/00/33/47/376003347.db2.gz	BZDCOEWTKHZQDX-VIFPVBQESA-N	0	2	348.319	-0.014	20	5		EBBDLN
CNS(=O)(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1	ZINC000569347296	378494063	/nfs/dbraw/zinc/49/40/63/378494063.db2.gz	VVAHDYSFBVDVOM-UHFFFAOYSA-N	0	2	344.349	-0.478	20	5		EBBDLN
O=C(Cn1cc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cn1)NCCO	ZINC000436981822	265244113	/nfs/dbraw/zinc/24/41/13/265244113.db2.gz	VLEZFNIFBVCERJ-UHFFFAOYSA-N	0	2	349.303	-0.142	20	5		EBBDLN
CN(C(=O)c1cccc2nn[nH]c21)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC000954359160	719692300	/nfs/dbraw/zinc/69/23/00/719692300.db2.gz	JTXMCNCHIIQSEG-ZYHUDNBSSA-N	0	2	344.331	-0.094	20	5		EBBDLN
O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1	ZINC000559276033	376003076	/nfs/dbraw/zinc/00/30/76/376003076.db2.gz	BZDCOEWTKHZQDX-SECBINFHSA-N	0	2	348.319	-0.014	20	5		EBBDLN
CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O	ZINC000598030312	378149150	/nfs/dbraw/zinc/14/91/50/378149150.db2.gz	UGHONXGQSWNZFH-ONGXEEELSA-N	0	2	330.318	-0.158	20	5		EBBDLN
CS(=O)(=O)N1CC(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])C1	ZINC000354834374	379710197	/nfs/dbraw/zinc/71/01/97/379710197.db2.gz	PPPKEUDUJDKMSO-UHFFFAOYSA-N	0	2	329.334	-0.078	20	5		EBBDLN
CN(C)c1noc(CNS(=O)(=O)c2cccnc2[N+](=O)[O-])n1	ZINC000582942157	381089515	/nfs/dbraw/zinc/08/95/15/381089515.db2.gz	DKHZGTUXCVOYAB-UHFFFAOYSA-N	0	2	328.310	-0.083	20	5		EBBDLN
CNC(=O)c1cc(S(=O)(=O)Nc2ccncc2[N+](=O)[O-])cn1C	ZINC000359430090	157321075	/nfs/dbraw/zinc/32/10/75/157321075.db2.gz	SSCLWUZAEMTWBD-UHFFFAOYSA-N	0	2	339.333	-0.089	20	5		EBBDLN
NC(=O)Cn1ccc(Nc2ncnc(N3CCOCC3)c2[N+](=O)[O-])n1	ZINC000598594094	421218782	/nfs/dbraw/zinc/21/87/82/421218782.db2.gz	YVJICVAZPLCSGR-UHFFFAOYSA-N	0	2	348.323	-0.353	20	5		EBBDLN
O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCc1n[nH]c(=O)[nH]1	ZINC000443511537	265354169	/nfs/dbraw/zinc/35/41/69/265354169.db2.gz	QREIEJBFOUXUJU-UHFFFAOYSA-N	0	2	346.259	-0.669	20	5		EBBDLN
Cn1cc(C(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])nc2)ccc1=O	ZINC000750762386	583138604	/nfs/dbraw/zinc/13/86/04/583138604.db2.gz	IHWGHEGRIFZJHV-UHFFFAOYSA-N	0	2	338.301	-0.193	20	5		EBBDLN
CON(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC000856015045	584265735	/nfs/dbraw/zinc/26/57/35/584265735.db2.gz	QDGMFUUIBUALJT-ZYUZMQFOSA-N	0	2	330.297	-0.787	20	5		EBBDLN
O=C(CCc1cnn[nH]1)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC000969003411	725141099	/nfs/dbraw/zinc/14/10/99/725141099.db2.gz	HTWDOPKZOXIMIO-YVECIDJPSA-N	0	2	348.363	-0.396	20	5		EBBDLN
CN1CC(C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)=NC1=O	ZINC000978801181	804986175	/nfs/dbraw/zinc/98/61/75/804986175.db2.gz	WWBBHGXLBHWUII-PKIKSRDPSA-N	0	2	337.336	-0.585	20	5		EBBDLN
CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O	ZINC000598030310	378149607	/nfs/dbraw/zinc/14/96/07/378149607.db2.gz	UGHONXGQSWNZFH-KOLCDFICSA-N	0	2	330.318	-0.158	20	5		EBBDLN
Cn1ccc(=O)n(CCCNC(=O)c2cc([N+](=O)[O-])ccc2O)c1=O	ZINC000599844554	378278307	/nfs/dbraw/zinc/27/83/07/378278307.db2.gz	HWGSELYKRUJHRI-UHFFFAOYSA-N	0	2	348.315	-0.019	20	5		EBBDLN
O=C([O-])N1CC[NH+](CCCNC(=O)c2n[nH]cc2[N+](=O)[O-])CC1	ZINC000834038147	584024864	/nfs/dbraw/zinc/02/48/64/584024864.db2.gz	GQOQEFOGPGSIEM-UHFFFAOYSA-N	0	2	326.313	-0.267	20	5		EBBDLN
O=C(NC[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1ncn[nH]1	ZINC000963966292	723512198	/nfs/dbraw/zinc/51/21/98/723512198.db2.gz	DBCVSXWJKPHMAE-GWOFURMSSA-N	0	2	336.352	-0.125	20	5		EBBDLN
O=C(NC[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1nc[nH]n1	ZINC000963966292	723512201	/nfs/dbraw/zinc/51/22/01/723512201.db2.gz	DBCVSXWJKPHMAE-GWOFURMSSA-N	0	2	336.352	-0.125	20	5		EBBDLN
O=C(Cc1ncn[nH]1)N1CC2(C1)CCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2	ZINC001010877736	727162633	/nfs/dbraw/zinc/16/26/33/727162633.db2.gz	CFDMPVVSTIBZNN-GHMZBOCLSA-N	0	2	348.363	-0.537	20	5		EBBDLN
COC(=O)c1[n-]c(=O)nc(O[C@H](C)C[NH+]2CCOCC2)c1[N+](=O)[O-]	ZINC001226652857	811877353	/nfs/dbraw/zinc/87/73/53/811877353.db2.gz	OQPKHRLQOASCLL-MRVPVSSYSA-N	0	2	342.308	-0.024	20	5		EBBDLN
O=C(N[C@H](CO)CN1CCOCC1)c1cccc(O)c1[N+](=O)[O-]	ZINC000597618986	378116192	/nfs/dbraw/zinc/11/61/92/378116192.db2.gz	XWYYPEOGVUPMCY-JTQLQIEISA-N	0	2	325.321	-0.277	20	5		EBBDLN
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CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1O	ZINC000598031023	378150590	/nfs/dbraw/zinc/15/05/90/378150590.db2.gz	WEENHZNESIPWIJ-ONGXEEELSA-N	0	2	330.318	-0.158	20	5		EBBDLN
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CN(C)S(=O)(=O)N1CC(NC(=O)c2cc([N+](=O)[O-])ccc2O)C1	ZINC000600712280	379657376	/nfs/dbraw/zinc/65/73/76/379657376.db2.gz	VXCPILVWPXUCNS-UHFFFAOYSA-N	0	2	344.349	-0.479	20	5		EBBDLN
COC(=O)NCCCC(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])nc1	ZINC000492991482	379664765	/nfs/dbraw/zinc/66/47/65/379664765.db2.gz	MEVNJMXYKSTQNC-UHFFFAOYSA-N	0	2	346.321	-0.069	20	5		EBBDLN
CCOC(=O)CN(CC(N)=O)C(=O)c1cc([N+](=O)[O-])ccc1O	ZINC000272409487	379840671	/nfs/dbraw/zinc/84/06/71/379840671.db2.gz	OLHSBVLGUVIBGM-UHFFFAOYSA-N	0	2	325.277	-0.209	20	5		EBBDLN
NS(=O)(=O)CCOCCNC(=O)c1ccc([N+](=O)[O-])c(O)c1	ZINC000288126189	154964134	/nfs/dbraw/zinc/96/41/34/154964134.db2.gz	DJOUZMMLOLYOEL-UHFFFAOYSA-N	0	2	333.322	-0.665	20	5		EBBDLN
O=C(NCC1(O)CCS(=O)(=O)CC1)c1cc([N+](=O)[O-])ccc1O	ZINC000436726819	265242084	/nfs/dbraw/zinc/24/20/84/265242084.db2.gz	ZKPLXNUQMXNDBM-UHFFFAOYSA-N	0	2	344.345	-0.030	20	5		EBBDLN
C[N@@H+]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)[C@@H](CNC(=O)[O-])C1	ZINC000828507291	583941237	/nfs/dbraw/zinc/94/12/37/583941237.db2.gz	NXFOBDHKAAMVJD-VIFPVBQESA-N	0	2	326.313	-0.799	20	5		EBBDLN
C[N@H+]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)[C@@H](CNC(=O)[O-])C1	ZINC000828507291	583941239	/nfs/dbraw/zinc/94/12/39/583941239.db2.gz	NXFOBDHKAAMVJD-VIFPVBQESA-N	0	2	326.313	-0.799	20	5		EBBDLN
Cc1nn[nH]c1C(=O)N1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1	ZINC000961548204	723036318	/nfs/dbraw/zinc/03/63/18/723036318.db2.gz	AGDGEDXUNSIQFA-LMLFDSFASA-N	0	2	334.336	-0.691	20	5		EBBDLN
CN1CC(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)=NC1=O	ZINC000979244303	805236690	/nfs/dbraw/zinc/23/66/90/805236690.db2.gz	GALHUVFAQZWGRT-PKIKSRDPSA-N	0	2	337.336	-0.585	20	5		EBBDLN
C[C@@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])[C@@H](O)C(F)(F)F	ZINC001193457103	834876837	/nfs/dbraw/zinc/87/68/37/834876837.db2.gz	RTFMJATZPUOKTM-INEUFUBQSA-N	0	2	332.260	-0.082	20	5		EBBDLN
C[C@@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])[C@H](O)C(F)(F)F	ZINC001193457164	834877919	/nfs/dbraw/zinc/87/79/19/834877919.db2.gz	RTFMJATZPUOKTM-XINAWCOVSA-N	0	2	332.260	-0.082	20	5		EBBDLN
O=[N+]([O-])CC[NH+]1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1	ZINC001193582728	834909353	/nfs/dbraw/zinc/90/93/53/834909353.db2.gz	FZPKPBHDAYTATB-UHFFFAOYSA-N	0	2	334.320	-0.286	20	5		EBBDLN
CN1CC(C(=O)N(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C2CC2)=NC1=O	ZINC001356614030	1130885014	/nfs/dbraw/zinc/88/50/14/1130885014.db2.gz	IBKBSWRDBHOWDG-MWLCHTKSSA-N	0	2	337.336	-0.488	20	5		EBBDLN
Cn1ccc(=O)n(CCCNC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1=O	ZINC000339309321	376649442	/nfs/dbraw/zinc/64/94/42/376649442.db2.gz	CLYZNXFCOKERQH-UHFFFAOYSA-N	0	2	348.315	-0.019	20	5		EBBDLN
CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1	ZINC000598031597	378150460	/nfs/dbraw/zinc/15/04/60/378150460.db2.gz	YCEIZXNUYWTELE-GZMMTYOYSA-N	0	2	330.318	-0.158	20	5		EBBDLN
Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC[C@@H](O)C(F)(F)F)n1	ZINC000599244020	378207105	/nfs/dbraw/zinc/20/71/05/378207105.db2.gz	XPHPVOYZONXYGP-ZCFIWIBFSA-N	0	2	332.260	-0.080	20	5		EBBDLN
CNS(=O)(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1	ZINC000283243339	379549161	/nfs/dbraw/zinc/54/91/61/379549161.db2.gz	JNJFTCDYXVMHHF-UHFFFAOYSA-N	0	2	344.349	-0.478	20	5		EBBDLN
CN(C)S(=O)(=O)N1CC(NC(=O)c2cc(O)ccc2[N+](=O)[O-])C1	ZINC000600709277	379657987	/nfs/dbraw/zinc/65/79/87/379657987.db2.gz	IHXJHLAXKNBHGD-UHFFFAOYSA-N	0	2	344.349	-0.479	20	5		EBBDLN
CCOC(=O)NCCC(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])nc1	ZINC000493200842	379671652	/nfs/dbraw/zinc/67/16/52/379671652.db2.gz	MNXJOZDMNKPNEU-UHFFFAOYSA-N	0	2	346.321	-0.069	20	5		EBBDLN
O=C(CCN1CCCC1=O)NS(=O)(=O)c1ccc([N+](=O)[O-])nc1	ZINC000750755389	583138702	/nfs/dbraw/zinc/13/87/02/583138702.db2.gz	HCJRFVPKMVFXEE-UHFFFAOYSA-N	0	2	342.333	-0.193	20	5		EBBDLN
O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCc1n[nH]c(=O)[nH]1	ZINC000774873440	583391365	/nfs/dbraw/zinc/39/13/65/583391365.db2.gz	OGYNSUKKLWFJMF-UHFFFAOYSA-N	0	2	347.243	-0.242	20	5		EBBDLN
Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)[O-]	ZINC000830779531	583970868	/nfs/dbraw/zinc/97/08/68/583970868.db2.gz	KCEJZVBGEWEVMM-JTQLQIEISA-N	0	2	340.340	-0.490	20	5		EBBDLN
Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)[O-]	ZINC000830779531	583970870	/nfs/dbraw/zinc/97/08/70/583970870.db2.gz	KCEJZVBGEWEVMM-JTQLQIEISA-N	0	2	340.340	-0.490	20	5		EBBDLN
C[C@H]1CN(CCC(=O)[O-])CC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000833628306	584012981	/nfs/dbraw/zinc/01/29/81/584012981.db2.gz	FTBPNCODGFCONF-AAEUAGOBSA-N	0	2	341.368	-0.367	20	5		EBBDLN
C[C@H]1CN(CCC(=O)[O-])CC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000833628306	584012983	/nfs/dbraw/zinc/01/29/83/584012983.db2.gz	FTBPNCODGFCONF-AAEUAGOBSA-N	0	2	341.368	-0.367	20	5		EBBDLN
O=C(CCc1cnn[nH]1)N1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC000941007264	653375186	/nfs/dbraw/zinc/37/51/86/653375186.db2.gz	IPUJFXWNPDARSI-VXGBXAGGSA-N	0	2	336.352	-0.537	20	5		EBBDLN
CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CCN(C(=O)Cc2ncn[nH]2)CC1	ZINC000953928801	654658999	/nfs/dbraw/zinc/65/89/99/654658999.db2.gz	KPTLAOLHGBEBRN-GHMZBOCLSA-N	0	2	336.352	-0.538	20	5		EBBDLN
O=C(N[C@@H]1[C@H]2CN(Cc3n[nH]c(C4CC4)n3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001025775839	730086577	/nfs/dbraw/zinc/08/65/77/730086577.db2.gz	OFDMJFANAGORHH-HMUNZLOLSA-N	0	2	332.364	-0.106	20	5		EBBDLN
O=C(NC1CN(C(=O)c2cccc3nn[nH]c32)C1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC000991292581	809248218	/nfs/dbraw/zinc/24/82/18/809248218.db2.gz	GJQNROUAUUCFPC-MWLCHTKSSA-N	0	2	330.304	-0.436	20	5		EBBDLN
O=C(c1cccc2nn[nH]c21)N1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001011115246	810320323	/nfs/dbraw/zinc/32/03/23/810320323.db2.gz	ZJBVGTZBQIKNRR-ZYHUDNBSSA-N	0	2	344.331	-0.093	20	5		EBBDLN
CN(C[C@H](O)C[NH+]1CCOCC1)c1nccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC001261503114	812920939	/nfs/dbraw/zinc/92/09/39/812920939.db2.gz	MIYRTDPWIROEEI-JTQLQIEISA-N	0	2	340.336	-0.183	20	5		EBBDLN
C[C@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])[C@@H](O)C(F)(F)F	ZINC001193457163	834877367	/nfs/dbraw/zinc/87/73/67/834877367.db2.gz	RTFMJATZPUOKTM-UJURSFKZSA-N	0	2	332.260	-0.082	20	5		EBBDLN
NS(=O)(=O)CCOCCNC(=O)c1ccc([N+](=O)[O-])cc1O	ZINC000288237044	376627858	/nfs/dbraw/zinc/62/78/58/376627858.db2.gz	NXCYPVLCVQZYPU-UHFFFAOYSA-N	0	2	333.322	-0.665	20	5		EBBDLN
O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NCc1n[nH]c(=O)[nH]1	ZINC000358377541	157237731	/nfs/dbraw/zinc/23/77/31/157237731.db2.gz	JMSDPAIPPRKVNE-UHFFFAOYSA-N	0	2	348.275	-0.540	20	5		EBBDLN
COC(=O)Cn1cc(S(=O)(=O)Nc2ccncc2[N+](=O)[O-])cn1	ZINC000359423129	157319621	/nfs/dbraw/zinc/31/96/21/157319621.db2.gz	ZYYOXBFPRFATLQ-UHFFFAOYSA-N	0	2	341.305	-0.418	20	5		EBBDLN
Cc1cc(C(=O)NCC(=O)NCc2n[nH]c(=O)[nH]2)ccc1[N+](=O)[O-]	ZINC000360407775	157378214	/nfs/dbraw/zinc/37/82/14/157378214.db2.gz	PGWAYFKGYUOEBV-UHFFFAOYSA-N	0	2	334.292	-0.227	20	5		EBBDLN
Cc1nn(CCn2cc([N+](=O)[O-])cn2)c(=O)c(-c2nn[nH]n2)c1C	ZINC000822500665	583811734	/nfs/dbraw/zinc/81/17/34/583811734.db2.gz	AEWREEXBRGRDFX-UHFFFAOYSA-N	0	2	331.296	-0.155	20	5		EBBDLN
C[C@H](NC(=O)[O-])[C@@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1	ZINC000825349892	583858977	/nfs/dbraw/zinc/85/89/77/583858977.db2.gz	FSGXIGFGXATCJD-WCQGTBRESA-N	0	2	343.340	-0.491	20	5		EBBDLN
C[C@H](NC(=O)[O-])[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1	ZINC000825349892	583858979	/nfs/dbraw/zinc/85/89/79/583858979.db2.gz	FSGXIGFGXATCJD-WCQGTBRESA-N	0	2	343.340	-0.491	20	5		EBBDLN
Cn1cc(-c2nn[nH]n2)c(=O)n(Cc2csc([N+](=O)[O-])c2)c1=O	ZINC000826356695	583893964	/nfs/dbraw/zinc/89/39/64/583893964.db2.gz	BHBLDEMHQPWVBL-UHFFFAOYSA-N	0	2	335.305	-0.255	20	5		EBBDLN
Cc1nn[nH]c1C(=O)N1CCC(N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC000953928838	654658968	/nfs/dbraw/zinc/65/89/68/654658968.db2.gz	MBWWBFBXONLGDF-GHMZBOCLSA-N	0	2	336.352	-0.159	20	5		EBBDLN
CN1CC(C(=O)NC2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCC2)=NC1=O	ZINC001062992824	739039587	/nfs/dbraw/zinc/03/95/87/739039587.db2.gz	BSMWOWYAPIVMRB-PSASIEDQSA-N	0	2	337.336	-0.440	20	5		EBBDLN
Cc1cc(NC(=O)CNC/C=C/CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])on1	ZINC001321052821	838892423	/nfs/dbraw/zinc/89/24/23/838892423.db2.gz	UGZJNGMGQYWMQN-WUNPDAOYSA-N	0	2	337.336	-0.151	20	5		EBBDLN
Cc1cc(NC(=O)CNC/C=C\CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])on1	ZINC001321052820	838892525	/nfs/dbraw/zinc/89/25/25/838892525.db2.gz	UGZJNGMGQYWMQN-LVUHIJSRSA-N	0	2	337.336	-0.151	20	5		EBBDLN
COCCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cnc(C)[nH]1	ZINC001338979327	842883243	/nfs/dbraw/zinc/88/32/43/842883243.db2.gz	AKSRTFOZBRNZQE-ZYHUDNBSSA-N	0	2	339.352	-0.412	20	5		EBBDLN
CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1	ZINC000598031599	378150624	/nfs/dbraw/zinc/15/06/24/378150624.db2.gz	YCEIZXNUYWTELE-KCJUWKMLSA-N	0	2	330.318	-0.158	20	5		EBBDLN
Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@](C)(O)C(F)(F)F)n1	ZINC000599268633	378217052	/nfs/dbraw/zinc/21/70/52/378217052.db2.gz	HBNVYONKGBJFKE-SSDOTTSWSA-N	0	2	332.260	-0.080	20	5		EBBDLN
Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@](C)(O)C(F)(F)F)n1	ZINC000599268634	378217590	/nfs/dbraw/zinc/21/75/90/378217590.db2.gz	HBNVYONKGBJFKE-ZETCQYMHSA-N	0	2	332.260	-0.080	20	5		EBBDLN
C[N@H+](CC(=O)[O-])[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@@H]1O	ZINC000343944234	419302767	/nfs/dbraw/zinc/30/27/67/419302767.db2.gz	VUHONFHPTLNDOX-PWSUYJOCSA-N	0	2	339.304	-0.498	20	5		EBBDLN
C[N@@H+](CC(=O)[O-])[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@@H]1O	ZINC000343944234	419302770	/nfs/dbraw/zinc/30/27/70/419302770.db2.gz	VUHONFHPTLNDOX-PWSUYJOCSA-N	0	2	339.304	-0.498	20	5		EBBDLN
O=C(NC[C@@H]1CS(=O)(=O)CCO1)c1ccc([N+](=O)[O-])cc1O	ZINC000436892446	265243482	/nfs/dbraw/zinc/24/34/82/265243482.db2.gz	LXHZVOGRZZZVFN-SECBINFHSA-N	0	2	330.318	-0.156	20	5		EBBDLN
CS(=O)(=O)N1CC(CNC(=O)c2ccc([N+](=O)[O-])cc2O)C1	ZINC000436836896	265244433	/nfs/dbraw/zinc/24/44/33/265244433.db2.gz	GEUCLSLLBHVACG-UHFFFAOYSA-N	0	2	329.334	-0.078	20	5		EBBDLN
CCn1cc(-c2nn[nH]n2)c(=O)n(CCn2cc([N+](=O)[O-])cn2)c1=O	ZINC000736713165	582951021	/nfs/dbraw/zinc/95/10/21/582951021.db2.gz	GTXOAPMFDDFSHK-UHFFFAOYSA-N	0	2	347.295	-0.985	20	5		EBBDLN
COC(=O)C[C@H](C)C(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])nc1	ZINC000758537838	583205188	/nfs/dbraw/zinc/20/51/88/583205188.db2.gz	YPHBYTYJFCRPBV-ZETCQYMHSA-N	0	2	331.306	-0.006	20	5		EBBDLN
O=C(C[C@H]1CCCC(=O)N1)NS(=O)(=O)c1ccc([N+](=O)[O-])nc1	ZINC000808990131	583673732	/nfs/dbraw/zinc/67/37/32/583673732.db2.gz	CNVGBCSEEXNDBR-MRVPVSSYSA-N	0	2	342.333	-0.147	20	5		EBBDLN
Cc1nn(C)cc1S(=O)(=O)NC(=O)CCn1cc([N+](=O)[O-])cn1	ZINC000809032910	583674591	/nfs/dbraw/zinc/67/45/91/583674591.db2.gz	SSASUWJPMDNNKG-UHFFFAOYSA-N	0	2	342.337	-0.272	20	5		EBBDLN
Cn1cc(-c2nn[nH]n2)c(=O)n(Cc2ccccc2[N+](=O)[O-])c1=O	ZINC000826356974	583893754	/nfs/dbraw/zinc/89/37/54/583893754.db2.gz	MQZKICCKBGRNFJ-UHFFFAOYSA-N	0	2	329.276	-0.316	20	5		EBBDLN
Cc1nn[nH]c1C(=O)N1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1	ZINC001019014374	728773693	/nfs/dbraw/zinc/77/36/93/728773693.db2.gz	ZVEVYXIBHBUYCO-NXEZZACHSA-N	0	2	334.336	-0.547	20	5		EBBDLN
O=C(Cc1ncn[nH]1)N1CCCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1	ZINC001010653838	727121690	/nfs/dbraw/zinc/12/16/90/727121690.db2.gz	YHNCUFHLSHEYBW-GHMZBOCLSA-N	0	2	348.363	-0.537	20	5		EBBDLN
O=C(c1ccc([N+](=O)[O-])cc1O)N1CCS(=O)(=O)C[C@H]1CCO	ZINC001303871053	821760778	/nfs/dbraw/zinc/76/07/78/821760778.db2.gz	MRLCRSCPBRKPIS-SNVBAGLBSA-N	0	2	344.345	-0.078	20	5		EBBDLN
CCCc1n[nH]c(C(=O)N2CCO[C@H](c3nn[nH]n3)C2)c1[N+](=O)[O-]	ZINC000364642925	377169133	/nfs/dbraw/zinc/16/91/33/377169133.db2.gz	NUXWTZLQQRHLJQ-QMMMGPOBSA-N	0	2	336.312	-0.003	20	5		EBBDLN
CCCc1[nH]nc(C(=O)N2CCO[C@H](c3nn[nH]n3)C2)c1[N+](=O)[O-]	ZINC000364642925	377169140	/nfs/dbraw/zinc/16/91/40/377169140.db2.gz	NUXWTZLQQRHLJQ-QMMMGPOBSA-N	0	2	336.312	-0.003	20	5		EBBDLN
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COCCOCCC(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])nc1	ZINC000750755673	583138577	/nfs/dbraw/zinc/13/85/77/583138577.db2.gz	MAIDBOZSBKORNH-UHFFFAOYSA-N	0	2	333.322	-0.152	20	5		EBBDLN
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CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)C1=NC(=O)N(C)C1	ZINC001356051134	832596233	/nfs/dbraw/zinc/59/62/33/832596233.db2.gz	QKPBITTVBGEPLX-PSASIEDQSA-N	0	2	325.325	-0.631	20	5		EBBDLN
CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1cc(O)ccc1[N+](=O)[O-]	ZINC000598027617	378149309	/nfs/dbraw/zinc/14/93/09/378149309.db2.gz	LLVVDMLKNNRDAC-ONGXEEELSA-N	0	2	330.318	-0.158	20	5		EBBDLN
COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1ccc([N+](=O)[O-])cc1O	ZINC000274680981	379072020	/nfs/dbraw/zinc/07/20/20/379072020.db2.gz	IIICWHHWCSKTRA-JTQLQIEISA-N	0	2	337.288	-0.196	20	5		EBBDLN
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NC(=O)Cn1ccc(Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])n1	ZINC000822874004	583820168	/nfs/dbraw/zinc/82/01/68/583820168.db2.gz	PHUXIBQMUQMTJE-UHFFFAOYSA-N	0	2	330.268	-0.405	20	5		EBBDLN
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