smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cccc1[N+](=O)[O-]	ZINC000069390485	454100534	/nfs/dbraw/zinc/10/05/34/454100534.db2.gz	KBOQZOOQFLHCLT-UHFFFAOYSA-N	1	2	336.351	3.019	40	5		EGBBLO
C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1nnc(-c2ccco2)o1	ZINC000016419798	453605054	/nfs/dbraw/zinc/60/50/54/453605054.db2.gz	LMTMXMNECIAHAX-LLVKDONJSA-N	1	2	328.328	3.431	40	5		EGBBLO
C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1nnc(-c2ccco2)o1	ZINC000016419798	453605063	/nfs/dbraw/zinc/60/50/63/453605063.db2.gz	LMTMXMNECIAHAX-LLVKDONJSA-N	1	2	328.328	3.431	40	5		EGBBLO
CCc1[nH+]c2ccccc2n1CC(=O)Nc1cc([N+](=O)[O-])ccc1C	ZINC000036783883	453931814	/nfs/dbraw/zinc/93/18/14/453931814.db2.gz	WZBJDTNYJGSSJC-UHFFFAOYSA-N	1	2	338.367	3.454	40	5		EGBBLO
CCc1[nH+]c2ccccc2n1CC(=O)OCc1cccc([N+](=O)[O-])c1	ZINC000024981053	202123592	/nfs/dbraw/zinc/12/35/92/202123592.db2.gz	YELSMZYZBKLDFW-UHFFFAOYSA-N	1	2	339.351	3.250	40	5		EGBBLO
COc1cc[nH+]cc1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000079843686	454489061	/nfs/dbraw/zinc/48/90/61/454489061.db2.gz	PNNGDTICAXFLDF-UHFFFAOYSA-N	1	2	341.245	3.270	40	5		EGBBLO
CC(C)c1noc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1	ZINC000174243727	207002484	/nfs/dbraw/zinc/00/24/84/207002484.db2.gz	XISUQTXRMAVNSX-UHFFFAOYSA-N	1	2	346.387	3.145	40	5		EGBBLO
O=[N+]([O-])c1cccc(CN2CC[NH+](Cc3cccc(F)c3)CC2)c1	ZINC000004952861	452827854	/nfs/dbraw/zinc/82/78/54/452827854.db2.gz	POGXWDLKVRQZFJ-UHFFFAOYSA-N	1	2	329.375	3.052	40	5		EGBBLO
O=[N+]([O-])c1cccc(C[NH+]2CCN(Cc3cccc(F)c3)CC2)c1	ZINC000004952861	452827860	/nfs/dbraw/zinc/82/78/60/452827860.db2.gz	POGXWDLKVRQZFJ-UHFFFAOYSA-N	1	2	329.375	3.052	40	5		EGBBLO
CC[NH+]1CCN(c2c(Cl)cc(Br)cc2[N+](=O)[O-])CC1	ZINC000045885932	276202581	/nfs/dbraw/zinc/20/25/81/276202581.db2.gz	MCJZVDRDCSJSCO-UHFFFAOYSA-N	1	2	348.628	3.153	40	5		EGBBLO
CCn1nc(C)c([N+](=O)[O-])c1Nc1ccc([NH2+]C2CCOCC2)cc1	ZINC000225455734	456084582	/nfs/dbraw/zinc/08/45/82/456084582.db2.gz	NYAJKLMLFCODGE-UHFFFAOYSA-N	1	2	345.403	3.454	40	5		EGBBLO
O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCc1ccc(-n2cc[nH+]c2)cc1	ZINC000020493098	212139604	/nfs/dbraw/zinc/13/96/04/212139604.db2.gz	BDYVBVAEVDWBCH-RMKNXTFCSA-N	1	2	348.362	3.110	40	5		EGBBLO
O=[N+]([O-])c1ccc(NCc2ccc(N3CCOCC3)[nH+]c2)c(Cl)c1	ZINC000014306766	453529223	/nfs/dbraw/zinc/52/92/23/453529223.db2.gz	KVZRZPLZVICOSQ-UHFFFAOYSA-N	1	2	348.790	3.092	40	5		EGBBLO
C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1	ZINC000036830093	213120987	/nfs/dbraw/zinc/12/09/87/213120987.db2.gz	FHWWOSHULUAKIN-CYBMUJFWSA-N	1	2	348.424	3.191	40	5		EGBBLO
C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1	ZINC000036830093	213120993	/nfs/dbraw/zinc/12/09/93/213120993.db2.gz	FHWWOSHULUAKIN-CYBMUJFWSA-N	1	2	348.424	3.191	40	5		EGBBLO
CCOc1ccc(Nc2nc(-n3cc[nH+]c3)nc(C)c2[N+](=O)[O-])cc1	ZINC000005386259	452864437	/nfs/dbraw/zinc/86/44/37/452864437.db2.gz	UZAKPMFCBYXBMP-UHFFFAOYSA-N	1	2	340.343	3.021	40	5		EGBBLO
CC[NH+]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Br)CC1	ZINC000045885914	454193011	/nfs/dbraw/zinc/19/30/11/454193011.db2.gz	FOGAPMVZVPDZIA-UHFFFAOYSA-N	1	2	348.628	3.153	40	5		EGBBLO
Cc1ccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1[N+](=O)[O-]	ZINC000044846815	454122099	/nfs/dbraw/zinc/12/20/99/454122099.db2.gz	XYLKDEXAJOSRQD-UHFFFAOYSA-N	1	2	336.351	3.019	40	5		EGBBLO
C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1	ZINC000036830090	213120820	/nfs/dbraw/zinc/12/08/20/213120820.db2.gz	FHWWOSHULUAKIN-ZDUSSCGKSA-N	1	2	348.424	3.191	40	5		EGBBLO
C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1	ZINC000036830090	213120823	/nfs/dbraw/zinc/12/08/23/213120823.db2.gz	FHWWOSHULUAKIN-ZDUSSCGKSA-N	1	2	348.424	3.191	40	5		EGBBLO
COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(-n2cc[nH+]c2)c1	ZINC000040119498	257854044	/nfs/dbraw/zinc/85/40/44/257854044.db2.gz	QVXRRNFXBKFXLT-UHFFFAOYSA-N	1	2	338.323	3.041	40	5		EGBBLO
CC[N@H+](CC(=O)N(C)c1ccccc1)Cc1ccccc1[N+](=O)[O-]	ZINC000036395387	213097433	/nfs/dbraw/zinc/09/74/33/213097433.db2.gz	NVBVTBQGBFPBGN-UHFFFAOYSA-N	1	2	327.384	3.080	40	5		EGBBLO
CC[N@@H+](CC(=O)N(C)c1ccccc1)Cc1ccccc1[N+](=O)[O-]	ZINC000036395387	213097435	/nfs/dbraw/zinc/09/74/35/213097435.db2.gz	NVBVTBQGBFPBGN-UHFFFAOYSA-N	1	2	327.384	3.080	40	5		EGBBLO
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCc1ccccc1-n1cc[nH+]c1	ZINC000020108566	212102249	/nfs/dbraw/zinc/10/22/49/212102249.db2.gz	RFSUGULSDSBZSU-JXMROGBWSA-N	1	2	348.362	3.110	40	5		EGBBLO
CC(=O)c1ccc(NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1	ZINC000028936629	453825682	/nfs/dbraw/zinc/82/56/82/453825682.db2.gz	MIDBJZUUDSZCTC-BETUJISGSA-N	1	2	349.431	3.097	40	5		EGBBLO
CC(=O)c1ccc(NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1	ZINC000028936629	453825683	/nfs/dbraw/zinc/82/56/83/453825683.db2.gz	MIDBJZUUDSZCTC-BETUJISGSA-N	1	2	349.431	3.097	40	5		EGBBLO
COc1ccc([NH2+]CCc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1	ZINC000062719281	454386369	/nfs/dbraw/zinc/38/63/69/454386369.db2.gz	HYFSQDNGNNHOTH-UHFFFAOYSA-N	1	2	339.355	3.043	40	5		EGBBLO
C[C@@H](c1cc(F)ccc1F)[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-]	ZINC000053126806	453860078	/nfs/dbraw/zinc/86/00/78/453860078.db2.gz	VFFDAAXCACTSQB-JTQLQIEISA-N	1	2	349.337	3.165	40	5		EGBBLO
C[C@@H](c1cc(F)ccc1F)[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-]	ZINC000053126806	453860082	/nfs/dbraw/zinc/86/00/82/453860082.db2.gz	VFFDAAXCACTSQB-JTQLQIEISA-N	1	2	349.337	3.165	40	5		EGBBLO
CCc1ncc(C[N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)s1	ZINC000083171250	453941587	/nfs/dbraw/zinc/94/15/87/453941587.db2.gz	DJYRYCMRAIUSJK-UHFFFAOYSA-N	1	2	332.385	3.387	40	5		EGBBLO
CCc1ncc(C[N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)s1	ZINC000083171250	453941590	/nfs/dbraw/zinc/94/15/90/453941590.db2.gz	DJYRYCMRAIUSJK-UHFFFAOYSA-N	1	2	332.385	3.387	40	5		EGBBLO
O=[N+]([O-])c1cc(Cn2c[nH+]c3cc(F)c(F)cc32)c2c(c1)COCO2	ZINC000024425707	453733274	/nfs/dbraw/zinc/73/32/74/453733274.db2.gz	QPHLQCDOYCFONX-UHFFFAOYSA-N	1	2	347.277	3.138	40	5		EGBBLO
Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(C(=O)c2ccco2)CC1	ZINC000182594522	455548991	/nfs/dbraw/zinc/54/89/91/455548991.db2.gz	JYRZGBAREBFRQN-AWEZNQCLSA-N	1	2	343.383	3.015	40	5		EGBBLO
Cc1sc(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-]	ZINC000024443894	294070168	/nfs/dbraw/zinc/07/01/68/294070168.db2.gz	IHCMMVGHYPCZAO-OAHLLOKOSA-N	1	2	345.424	3.094	40	5		EGBBLO
Cc1sc(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-]	ZINC000024443894	294070171	/nfs/dbraw/zinc/07/01/71/294070171.db2.gz	IHCMMVGHYPCZAO-OAHLLOKOSA-N	1	2	345.424	3.094	40	5		EGBBLO
CC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1	ZINC000067949455	453983099	/nfs/dbraw/zinc/98/30/99/453983099.db2.gz	FMMKZMHIOAAISP-UHFFFAOYSA-N	1	2	339.395	3.120	40	5		EGBBLO
Cc1csc(C(C)(C)[NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)n1	ZINC000072663196	216289571	/nfs/dbraw/zinc/28/95/71/216289571.db2.gz	XTSSGNDRZXUZHE-UHFFFAOYSA-N	1	2	348.428	3.132	40	5		EGBBLO
Cc1cccc(C(=O)Nc2cccc(Cn3cc[nH+]c3)c2)c1[N+](=O)[O-]	ZINC000025177540	453760834	/nfs/dbraw/zinc/76/08/34/453760834.db2.gz	CLRUQOTWNHKCGF-UHFFFAOYSA-N	1	2	336.351	3.400	40	5		EGBBLO
C[N@H+](CC(=O)Nc1cccc(Cl)c1)Cc1ccccc1[N+](=O)[O-]	ZINC000026346183	453797728	/nfs/dbraw/zinc/79/77/28/453797728.db2.gz	MRRXXFADMFMPSM-UHFFFAOYSA-N	1	2	333.775	3.319	40	5		EGBBLO
C[N@@H+](CC(=O)Nc1cccc(Cl)c1)Cc1ccccc1[N+](=O)[O-]	ZINC000026346183	453797729	/nfs/dbraw/zinc/79/77/29/453797729.db2.gz	MRRXXFADMFMPSM-UHFFFAOYSA-N	1	2	333.775	3.319	40	5		EGBBLO
O=[N+]([O-])c1ccc2c(c1NCc1cccc(Cn3cc[nH+]c3)c1)CCN2	ZINC000225511099	456089163	/nfs/dbraw/zinc/08/91/63/456089163.db2.gz	FJFMJWGBHMHSAB-UHFFFAOYSA-N	1	2	349.394	3.420	40	5		EGBBLO
Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(N2CCCC2)[nH+]c1C	ZINC000194914785	455898877	/nfs/dbraw/zinc/89/88/77/455898877.db2.gz	PFBCPYFIBIPMBE-UHFFFAOYSA-N	1	2	340.383	3.459	40	5		EGBBLO
Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN(C(=O)c2ccco2)CC1	ZINC000182594503	534346739	/nfs/dbraw/zinc/34/67/39/534346739.db2.gz	JYRZGBAREBFRQN-CQSZACIVSA-N	1	2	343.383	3.015	40	5		EGBBLO
CCc1[nH+]c2ccccc2n1CC(=O)Nc1ccc(C)c([N+](=O)[O-])c1	ZINC000036779264	213118838	/nfs/dbraw/zinc/11/88/38/213118838.db2.gz	NIYDZIHGXWFTAQ-UHFFFAOYSA-N	1	2	338.367	3.454	40	5		EGBBLO
O=[N+]([O-])c1ccc(NCc2[nH+]ccn2CCCc2ccccc2)nc1	ZINC000081033238	217354031	/nfs/dbraw/zinc/35/40/31/217354031.db2.gz	WFBVWGPOFHXRBI-UHFFFAOYSA-N	1	2	337.383	3.431	40	5		EGBBLO
CCc1[nH+]c2ccccc2n1CC(=O)Nc1cccc([N+](=O)[O-])c1C	ZINC000014798618	453545164	/nfs/dbraw/zinc/54/51/64/453545164.db2.gz	OGRWFMRSNNZHDY-UHFFFAOYSA-N	1	2	338.367	3.454	40	5		EGBBLO
Cc1cc(NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)ccc1[N+](=O)[O-]	ZINC000052245959	525279441	/nfs/dbraw/zinc/27/94/41/525279441.db2.gz	VIFJHSFBCPHCLS-AWEZNQCLSA-N	1	2	342.399	3.135	40	5		EGBBLO
CCc1cc([N+](=O)[O-])cc(Br)c1N1CC[NH+](CC)CC1	ZINC000226316035	205125547	/nfs/dbraw/zinc/12/55/47/205125547.db2.gz	PQDGTRUZMKKIJX-UHFFFAOYSA-N	1	2	342.237	3.062	40	5		EGBBLO
O=C(CSc1nc2ccccc2c2[nH+]c3ccccc3n21)NC1CC1	ZINC000003375930	452763470	/nfs/dbraw/zinc/76/34/70/452763470.db2.gz	JGIYOOKNQCCIGO-UHFFFAOYSA-N	1	2	348.431	3.406	40	5		EGBBLO
Cc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1[N+](=O)[O-]	ZINC000030857687	202200802	/nfs/dbraw/zinc/20/08/02/202200802.db2.gz	HRIPKZBBLIIOFU-UHFFFAOYSA-N	1	2	336.351	3.019	40	5		EGBBLO
CC(C)c1[nH+]c2c(n1C)CCN(Cc1ccc([N+](=O)[O-])c(F)c1)C2	ZINC000276335918	275762252	/nfs/dbraw/zinc/76/22/52/275762252.db2.gz	SENUVLLNDLCJQO-UHFFFAOYSA-N	1	2	332.379	3.149	40	5		EGBBLO
Cc1c(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)cccc1[N+](=O)[O-]	ZINC000032902293	453895937	/nfs/dbraw/zinc/89/59/37/453895937.db2.gz	KWOWZFNOAHCGNR-UHFFFAOYSA-N	1	2	344.758	3.134	40	5		EGBBLO
O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCc1ccccc1-n1cc[nH+]c1	ZINC000030854839	202199276	/nfs/dbraw/zinc/19/92/76/202199276.db2.gz	KYKVSFCQRRXRTK-CMDGGOBGSA-N	1	2	348.362	3.110	40	5		EGBBLO
O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2[nH]cc[nH+]2)cc1	ZINC000162720481	454795923	/nfs/dbraw/zinc/79/59/23/454795923.db2.gz	ZOPBGEAMTCCCKQ-UHFFFAOYSA-N	1	2	338.323	3.002	40	5		EGBBLO
CC(=O)c1ccc(NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1	ZINC000028936634	453825672	/nfs/dbraw/zinc/82/56/72/453825672.db2.gz	MIDBJZUUDSZCTC-STQMWFEESA-N	1	2	349.431	3.097	40	5		EGBBLO
Cc1cccn2cc(COC(=O)c3ccc([N+](=O)[O-])c(C)c3)[nH+]c12	ZINC000016209910	453598114	/nfs/dbraw/zinc/59/81/14/453598114.db2.gz	ZWTZFDKUOWSBCL-UHFFFAOYSA-N	1	2	325.324	3.216	40	5		EGBBLO
[NH3+][C@@H](c1nc(Cc2ccc([N+](=O)[O-])cc2)n[nH]1)c1ccc(Cl)cc1	ZINC000095534008	454229874	/nfs/dbraw/zinc/22/98/74/454229874.db2.gz	ZKKIEKDCUWRHPX-OAHLLOKOSA-N	1	2	343.774	3.005	40	5		EGBBLO
[NH3+][C@@H](c1nnc(Cc2ccc([N+](=O)[O-])cc2)[nH]1)c1ccc(Cl)cc1	ZINC000095534008	454229880	/nfs/dbraw/zinc/22/98/80/454229880.db2.gz	ZKKIEKDCUWRHPX-OAHLLOKOSA-N	1	2	343.774	3.005	40	5		EGBBLO
[NH3+][C@H](c1nc(Cc2ccc([N+](=O)[O-])cc2)n[nH]1)c1ccc(Cl)cc1	ZINC000095534009	454229832	/nfs/dbraw/zinc/22/98/32/454229832.db2.gz	ZKKIEKDCUWRHPX-HNNXBMFYSA-N	1	2	343.774	3.005	40	5		EGBBLO
[NH3+][C@H](c1nnc(Cc2ccc([N+](=O)[O-])cc2)[nH]1)c1ccc(Cl)cc1	ZINC000095534009	454229837	/nfs/dbraw/zinc/22/98/37/454229837.db2.gz	ZKKIEKDCUWRHPX-HNNXBMFYSA-N	1	2	343.774	3.005	40	5		EGBBLO
CC(C)c1cc(NC(=O)C[N@H+](C)[C@H](C)c2cccc([N+](=O)[O-])c2)on1	ZINC000024864744	453749656	/nfs/dbraw/zinc/74/96/56/453749656.db2.gz	FSCNMAICTDVVDZ-GFCCVEGCSA-N	1	2	346.387	3.338	40	5		EGBBLO
CC(C)c1cc(NC(=O)C[N@@H+](C)[C@H](C)c2cccc([N+](=O)[O-])c2)on1	ZINC000024864744	453749658	/nfs/dbraw/zinc/74/96/58/453749658.db2.gz	FSCNMAICTDVVDZ-GFCCVEGCSA-N	1	2	346.387	3.338	40	5		EGBBLO
Cc1cc(NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)ccc1[N+](=O)[O-]	ZINC000052245958	454663532	/nfs/dbraw/zinc/66/35/32/454663532.db2.gz	VIFJHSFBCPHCLS-CQSZACIVSA-N	1	2	342.399	3.135	40	5		EGBBLO
O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cccc(Cn2cc[nH+]c2)c1	ZINC000025183052	453761594	/nfs/dbraw/zinc/76/15/94/453761594.db2.gz	KCPLEKNAMPTHRB-UHFFFAOYSA-N	1	2	336.351	3.021	40	5		EGBBLO
O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H]1c1nnc2n1CCCCC2	ZINC000096414812	454331721	/nfs/dbraw/zinc/33/17/21/454331721.db2.gz	PSYPJUYXNPDPTJ-INIZCTEOSA-N	1	2	341.415	3.250	40	5		EGBBLO
O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H]1c1nnc2n1CCCCC2	ZINC000096414812	454331727	/nfs/dbraw/zinc/33/17/27/454331727.db2.gz	PSYPJUYXNPDPTJ-INIZCTEOSA-N	1	2	341.415	3.250	40	5		EGBBLO
C[N@@H+](Cc1cc(=O)oc2cc(O)ccc12)Cc1ccccc1[N+](=O)[O-]	ZINC000192634419	455657660	/nfs/dbraw/zinc/65/76/60/455657660.db2.gz	WHSUHHNZGSUYOK-UHFFFAOYSA-N	1	2	340.335	3.039	40	5		EGBBLO
C[N@H+](Cc1cc(=O)oc2cc(O)ccc12)Cc1ccccc1[N+](=O)[O-]	ZINC000192634419	455657663	/nfs/dbraw/zinc/65/76/63/455657663.db2.gz	WHSUHHNZGSUYOK-UHFFFAOYSA-N	1	2	340.335	3.039	40	5		EGBBLO
O=[N+]([O-])c1ccc(N2CC[C@@H](CNc3cccc[nH+]3)C2)c2ccncc21	ZINC000195513651	455975435	/nfs/dbraw/zinc/97/54/35/455975435.db2.gz	DJHJCOPJFPUIMG-AWEZNQCLSA-N	1	2	349.394	3.476	40	5		EGBBLO
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1	ZINC000038859766	213229985	/nfs/dbraw/zinc/22/99/85/213229985.db2.gz	YIYKUSZCURIXQS-UHFFFAOYSA-N	1	2	336.351	3.400	40	5		EGBBLO
CC[NH+]1CCN(c2c(Br)cc(Cl)cc2[N+](=O)[O-])CC1	ZINC000045886150	276202261	/nfs/dbraw/zinc/20/22/61/276202261.db2.gz	DXJQLUGTWVSYBX-UHFFFAOYSA-N	1	2	348.628	3.153	40	5		EGBBLO
CC(C)c1cc(NC(=O)C[N@H+](C)[C@@H](C)c2cccc([N+](=O)[O-])c2)on1	ZINC000024864739	453749507	/nfs/dbraw/zinc/74/95/07/453749507.db2.gz	FSCNMAICTDVVDZ-LBPRGKRZSA-N	1	2	346.387	3.338	40	5		EGBBLO
CC(C)c1cc(NC(=O)C[N@@H+](C)[C@@H](C)c2cccc([N+](=O)[O-])c2)on1	ZINC000024864739	453749509	/nfs/dbraw/zinc/74/95/09/453749509.db2.gz	FSCNMAICTDVVDZ-LBPRGKRZSA-N	1	2	346.387	3.338	40	5		EGBBLO
COc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(-c3[nH]cc[nH+]3)c2)c1	ZINC000096412388	454330657	/nfs/dbraw/zinc/33/06/57/454330657.db2.gz	FPCOWAMKHZGRKO-UHFFFAOYSA-N	1	2	338.323	3.246	40	5		EGBBLO
Cc1c(C(=O)NCc2ccccc2-n2cc[nH+]c2)cccc1[N+](=O)[O-]	ZINC000022509561	212301719	/nfs/dbraw/zinc/30/17/19/212301719.db2.gz	UIYMXMMOFKWBBI-UHFFFAOYSA-N	1	2	336.351	3.019	40	5		EGBBLO
Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-]	ZINC000016591578	453613218	/nfs/dbraw/zinc/61/32/18/453613218.db2.gz	PBNKUGCSXQVWEV-NSHDSACASA-N	1	2	345.321	3.116	40	5		EGBBLO
Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-]	ZINC000016591578	453613220	/nfs/dbraw/zinc/61/32/20/453613220.db2.gz	PBNKUGCSXQVWEV-NSHDSACASA-N	1	2	345.321	3.116	40	5		EGBBLO
C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1nnc(-c2ccco2)o1	ZINC000016419799	453604781	/nfs/dbraw/zinc/60/47/81/453604781.db2.gz	LMTMXMNECIAHAX-NSHDSACASA-N	1	2	328.328	3.431	40	5		EGBBLO
C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1nnc(-c2ccco2)o1	ZINC000016419799	453604786	/nfs/dbraw/zinc/60/47/86/453604786.db2.gz	LMTMXMNECIAHAX-NSHDSACASA-N	1	2	328.328	3.431	40	5		EGBBLO
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCc1ccc(-n2cc[nH+]c2)cc1	ZINC000022512189	212303174	/nfs/dbraw/zinc/30/31/74/212303174.db2.gz	UVOIIAYGPMPQGH-BJMVGYQFSA-N	1	2	348.362	3.110	40	5		EGBBLO
Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-]	ZINC000016591577	453613390	/nfs/dbraw/zinc/61/33/90/453613390.db2.gz	PBNKUGCSXQVWEV-LLVKDONJSA-N	1	2	345.321	3.116	40	5		EGBBLO
Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-]	ZINC000016591577	453613393	/nfs/dbraw/zinc/61/33/93/453613393.db2.gz	PBNKUGCSXQVWEV-LLVKDONJSA-N	1	2	345.321	3.116	40	5		EGBBLO
O=[N+]([O-])c1cc(CNc2ccccc2C[NH+]2CCOCC2)cs1	ZINC000096427446	454340046	/nfs/dbraw/zinc/34/00/46/454340046.db2.gz	NKNCGNDESLMNAX-UHFFFAOYSA-N	1	2	333.413	3.101	40	5		EGBBLO
Cc1c(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cccc1[N+](=O)[O-]	ZINC000038860236	213230185	/nfs/dbraw/zinc/23/01/85/213230185.db2.gz	VVYBTTTWBMQVNU-UHFFFAOYSA-N	1	2	336.351	3.400	40	5		EGBBLO
COc1cc(NCc2ccc(Cn3cc[nH+]c3)cc2)ccc1[N+](=O)[O-]	ZINC000080948821	217344003	/nfs/dbraw/zinc/34/40/03/217344003.db2.gz	XFKYSZONUZYMHB-UHFFFAOYSA-N	1	2	338.367	3.460	40	5		EGBBLO
Cc1c[nH+]ccc1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1	ZINC000121009609	454377221	/nfs/dbraw/zinc/37/72/21/454377221.db2.gz	PKMRJCWPDXNCAP-UHFFFAOYSA-N	1	2	336.145	3.313	40	5		EGBBLO
Cc1cc2[nH+]cn(Cc3cc([N+](=O)[O-])cc4c3OCOC4)c2cc1C	ZINC000014360961	453531939	/nfs/dbraw/zinc/53/19/39/453531939.db2.gz	LNBFZFQDYWULRK-UHFFFAOYSA-N	1	2	339.351	3.476	40	5		EGBBLO
COc1ccc([NH2+]CCc2nc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)cc1	ZINC000062719285	454385793	/nfs/dbraw/zinc/38/57/93/454385793.db2.gz	JJSCXDUINNYNTJ-UHFFFAOYSA-N	1	2	339.355	3.043	40	5		EGBBLO
Cc1csc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1	ZINC000131051253	534807886	/nfs/dbraw/zinc/80/78/86/534807886.db2.gz	HTGDQYDUQOVBKW-UHFFFAOYSA-N	1	2	333.413	3.403	40	5		EGBBLO
Cc1cc([N+](=O)[O-])cnc1N1CCC(CCCn2cc[nH+]c2)CC1	ZINC000253398731	455840087	/nfs/dbraw/zinc/84/00/87/455840087.db2.gz	OQVZSIVSNWMPQL-UHFFFAOYSA-N	1	2	329.404	3.192	40	5		EGBBLO
Cc1sc(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-]	ZINC000024443896	453733562	/nfs/dbraw/zinc/73/35/62/453733562.db2.gz	IHCMMVGHYPCZAO-HNNXBMFYSA-N	1	2	345.424	3.094	40	5		EGBBLO
Cc1sc(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-]	ZINC000024443896	453733566	/nfs/dbraw/zinc/73/35/66/453733566.db2.gz	IHCMMVGHYPCZAO-HNNXBMFYSA-N	1	2	345.424	3.094	40	5		EGBBLO
CC(=O)c1ccc(NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])c1	ZINC000028936626	453825652	/nfs/dbraw/zinc/82/56/52/453825652.db2.gz	MIDBJZUUDSZCTC-CHWSQXEVSA-N	1	2	349.431	3.097	40	5		EGBBLO
O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H]1c1nnc2n1CCCCC2	ZINC000096414811	454331667	/nfs/dbraw/zinc/33/16/67/454331667.db2.gz	PSYPJUYXNPDPTJ-MRXNPFEDSA-N	1	2	341.415	3.250	40	5		EGBBLO
O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H]1c1nnc2n1CCCCC2	ZINC000096414811	454331672	/nfs/dbraw/zinc/33/16/72/454331672.db2.gz	PSYPJUYXNPDPTJ-MRXNPFEDSA-N	1	2	341.415	3.250	40	5		EGBBLO
O=[N+]([O-])c1ccc(N2CC[C@H](CNc3cccc[nH+]3)C2)c2ccncc21	ZINC000195513652	455975317	/nfs/dbraw/zinc/97/53/17/455975317.db2.gz	DJHJCOPJFPUIMG-CQSZACIVSA-N	1	2	349.394	3.476	40	5		EGBBLO
Cc1cc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)ccc1[N+](=O)[O-]	ZINC000022530324	212306181	/nfs/dbraw/zinc/30/61/81/212306181.db2.gz	TUNVFJKZHJSSHH-UHFFFAOYSA-N	1	2	336.351	3.019	40	5		EGBBLO
C[C@H](c1cc(F)ccc1F)[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-]	ZINC000053126808	453859876	/nfs/dbraw/zinc/85/98/76/453859876.db2.gz	VFFDAAXCACTSQB-SNVBAGLBSA-N	1	2	349.337	3.165	40	5		EGBBLO
C[C@H](c1cc(F)ccc1F)[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-]	ZINC000053126808	453859880	/nfs/dbraw/zinc/85/98/80/453859880.db2.gz	VFFDAAXCACTSQB-SNVBAGLBSA-N	1	2	349.337	3.165	40	5		EGBBLO
Cc1cc(C(=O)NCc2ccccc2-n2cc[nH+]c2)ccc1[N+](=O)[O-]	ZINC000055696429	454007075	/nfs/dbraw/zinc/00/70/75/454007075.db2.gz	NYBIZFGXMHTQKM-UHFFFAOYSA-N	1	2	336.351	3.019	40	5		EGBBLO
CC(=O)Nc1cccc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1	ZINC000088607603	454116040	/nfs/dbraw/zinc/11/60/40/454116040.db2.gz	GMSQQMJWTHOKEB-UHFFFAOYSA-N	1	2	325.368	3.112	40	5		EGBBLO
CC(=O)Nc1cccc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1	ZINC000088607603	454116041	/nfs/dbraw/zinc/11/60/41/454116041.db2.gz	GMSQQMJWTHOKEB-UHFFFAOYSA-N	1	2	325.368	3.112	40	5		EGBBLO