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(Nc1ccc(N2CC[NH2+]CC2)c([N+](=O)[O-])c1)c1ccccc1[N+](=O)[O-]	ZINC000020154256	539672709	/nfs/dbraw/zinc/67/27/09/539672709.db2.gz	NGSYCGIDJPTEDS-UHFFFAOYSA-N	1	0	371.353	2.165	40	5		FEBBRO
O=[N+]([O-])c1ccc(OC[C@@H](O)CN2CC[NH+](Cc3ccccc3)CC2)cc1	ZINC000006061199	204235923	/nfs/dbraw/zinc/23/59/23/204235923.db2.gz	VJTSNKHLXJXQDA-IBGZPJMESA-N	1	0	371.437	2.152	40	5		FEBBRO
Cn1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)n1	ZINC000004565396	539388539	/nfs/dbraw/zinc/38/85/39/539388539.db2.gz	SRVLWUIPRMJGMK-UHFFFAOYSA-N	1	0	373.457	2.055	40	5		FEBBRO
C[NH+](C)CCCNC(=O)CSc1nc2ccc([N+](=O)[O-])cc2s1	ZINC000059459230	263419303	/nfs/dbraw/zinc/41/93/03/263419303.db2.gz	IXOIBYHEEFJZPE-UHFFFAOYSA-N	1	0	354.457	2.365	40	5		FEBBRO
C[C@@H]1C[C@@H](C)C[NH+](CCCNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1	ZINC000151833524	206167341	/nfs/dbraw/zinc/16/73/41/206167341.db2.gz	DSWLMHCEEXJUIX-HUUCEWRRSA-N	1	0	369.487	2.382	40	5		FEBBRO
CC(C)(C)OC(=O)NC1CCN(C(=[NH2+])Nc2ccc([N+](=O)[O-])cn2)CC1	ZINC000225239774	548732911	/nfs/dbraw/zinc/73/29/11/548732911.db2.gz	XAGQGBCYCBKUHT-UHFFFAOYSA-N	1	0	364.406	2.326	40	5		FEBBRO
O=C(NCCNc1ccc([N+](=O)[O-])cc1Cl)O[C@@H]1C[NH+]2CCC1CC2	ZINC000020436466	539675169	/nfs/dbraw/zinc/67/51/69/539675169.db2.gz	CNUXRHUHRKKKIK-OAHLLOKOSA-N	1	0	368.821	2.481	40	5		FEBBRO
CN(CC[NH+](C)C)c1nc(Cl)nc(Nc2cccc([N+](=O)[O-])c2)n1	ZINC000199799258	548664665	/nfs/dbraw/zinc/66/46/65/548664665.db2.gz	CAPDFKRNSFEOBB-UHFFFAOYSA-N	1	0	351.798	2.175	40	5		FEBBRO
O=C(Nc1ccc(N2CC[NH2+]CC2)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1	ZINC000020154260	539672205	/nfs/dbraw/zinc/67/22/05/539672205.db2.gz	FVUWWVMGSXOQIV-UHFFFAOYSA-N	1	0	371.353	2.165	40	5		FEBBRO
COc1cccc(C(=O)Nc2ccc(N3CC[NH2+]CC3)c([N+](=O)[O-])c2)c1	ZINC000020154277	539672441	/nfs/dbraw/zinc/67/24/41/539672441.db2.gz	UBGLLYNAEWIXAC-UHFFFAOYSA-N	1	0	356.382	2.265	40	5		FEBBRO
O=C(NCCNc1ccc([N+](=O)[O-])cc1Cl)O[C@H]1C[NH+]2CCC1CC2	ZINC000020436470	539674878	/nfs/dbraw/zinc/67/48/78/539674878.db2.gz	CNUXRHUHRKKKIK-HNNXBMFYSA-N	1	0	368.821	2.481	40	5		FEBBRO
CC1(C)CC(O)CC(C)(C)[NH+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000001473268	204009234	/nfs/dbraw/zinc/00/92/34/204009234.db2.gz	WPZSZKSRDOSXFA-CQSZACIVSA-N	1	0	352.431	2.348	40	5		FEBBRO
C[C@H]1C[C@H](C)C[NH+](CCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1	ZINC000010544073	263366591	/nfs/dbraw/zinc/36/65/91/263366591.db2.gz	DGAIXBZGYHLGTD-KBPBESRZSA-N	1	0	355.460	2.241	40	5		FEBBRO
CC[C@@H]1[C@@H](O)[N+]2(CC)[C@H]3C[C@@]45c6ccccc6N(C)[C@@H]4[C@H]2C[C@@H]1[C@H]3[C@@H]5O	ZINC000102918325	209244013	/nfs/dbraw/zinc/24/40/13/209244013.db2.gz	IPJIEDBVLQTGNW-JXBMNDNPSA-N	1	0	355.502	2.089	40	5		FEBBRO
CC[NH+](CC)C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](COC)OC	ZINC000001646362	539342516	/nfs/dbraw/zinc/34/25/16/539342516.db2.gz	IRMZGWIBIIBLRU-HZPDHXFCSA-N	1	0	354.403	2.123	40	5		FEBBRO
COc1cccc(N2CCN(C(=[NH2+])Nc3ncccc3[N+](=O)[O-])CC2)c1	ZINC000225245980	132284485	/nfs/dbraw/zinc/28/44/85/132284485.db2.gz	IVGZRSNDVGCAHO-UHFFFAOYSA-N	1	0	356.386	2.167	40	5		FEBBRO
C[C@@H]1C[C@H](C)C[N@@H+](CCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1	ZINC000010544036	263366329	/nfs/dbraw/zinc/36/63/29/263366329.db2.gz	SNPGUQZUEPNILJ-OKILXGFUSA-N	1	0	355.460	2.241	40	5		FEBBRO
C[NH2+]CCCN(C)c1nc(Cl)nc(Nc2cccc([N+](=O)[O-])c2)n1	ZINC000199801214	548664778	/nfs/dbraw/zinc/66/47/78/548664778.db2.gz	YYMQDWNNBIXHHI-UHFFFAOYSA-N	1	0	351.798	2.223	40	5		FEBBRO
COC(=O)C(C(=O)OC)[C@H](c1cccc([N+](=O)[O-])c1)[C@H]([NH3+])c1ccccc1	ZINC000001721791	539343003	/nfs/dbraw/zinc/34/30/03/539343003.db2.gz	OCNWDUSZKFSFIX-DOTOQJQBSA-N	1	0	372.377	2.341	40	5		FEBBRO
C[C@@H]1C[C@@H](C)C[NH+](CCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1	ZINC000010544074	263366236	/nfs/dbraw/zinc/36/62/36/263366236.db2.gz	DGAIXBZGYHLGTD-ZIAGYGMSSA-N	1	0	355.460	2.241	40	5		FEBBRO
CC(=O)c1ccc(N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)c([N+](=O)[O-])c1	ZINC000225209750	132284303	/nfs/dbraw/zinc/28/43/03/132284303.db2.gz	LYQUXEUVENNPQX-UHFFFAOYSA-N	1	0	374.441	2.108	40	5		FEBBRO
COc1ccccc1C(=O)Nc1ccc(N2CC[NH2+]CC2)c([N+](=O)[O-])c1	ZINC000020154279	539672506	/nfs/dbraw/zinc/67/25/06/539672506.db2.gz	NOHXBFUKSSYKKM-UHFFFAOYSA-N	1	0	356.382	2.265	40	5		FEBBRO
CC[NH+](CC)C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](COC)OC	ZINC000001646361	210364290	/nfs/dbraw/zinc/36/42/90/210364290.db2.gz	IRMZGWIBIIBLRU-JKSUJKDBSA-N	1	0	354.403	2.123	40	5		FEBBRO
COc1cccc(N2CCN(C(=[NH2+])Nc3ccc([N+](=O)[O-])cn3)CC2)c1	ZINC000225239226	132284477	/nfs/dbraw/zinc/28/44/77/132284477.db2.gz	VFPQJDLSASNTAI-UHFFFAOYSA-N	1	0	356.386	2.167	40	5		FEBBRO
CC[NH+](CC)C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1)[C@H](COC)OC	ZINC000001646363	210364005	/nfs/dbraw/zinc/36/40/05/210364005.db2.gz	IRMZGWIBIIBLRU-HOTGVXAUSA-N	1	0	354.403	2.123	40	5		FEBBRO
CC[C@@H]1[C@@H](O)[N+]2(CC)[C@H]3C[C@@]45c6ccccc6N(C)[C@H]4[C@@H]2C[C@@H]1[C@H]3[C@@H]5O	ZINC000100744362	543025542	/nfs/dbraw/zinc/02/55/42/543025542.db2.gz	IPJIEDBVLQTGNW-IEPJLQRMSA-N	1	0	355.502	2.089	40	5		FEBBRO
CCCCO[C@H]1O[C@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H](O)[C@@H]1[N+](C)(C)C	ZINC000004531100	263333530	/nfs/dbraw/zinc/33/35/30/263333530.db2.gz	ZHESEXKBFWPZMZ-RABCQHRBSA-N	1	0	366.478	2.078	40	5		FEBBRO
C[C@H]1C[C@H](C)C[NH+](CCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1	ZINC000010544037	263366449	/nfs/dbraw/zinc/36/64/49/263366449.db2.gz	SNPGUQZUEPNILJ-KBPBESRZSA-N	1	0	355.460	2.241	40	5		FEBBRO
C[C@H]1C[C@H](C)C[NH+](CCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000010544077	263366609	/nfs/dbraw/zinc/36/66/09/263366609.db2.gz	JGYMDXIIHOASJT-KBPBESRZSA-N	1	0	355.460	2.241	40	5		FEBBRO
C[NH+]1CCN(c2ccc([N+](=O)[O-])c(-n3ncc4ccccc4c3=O)c2)CC1	ZINC000010231835	539514283	/nfs/dbraw/zinc/51/42/83/539514283.db2.gz	CJHTVRVUXGVLMD-UHFFFAOYSA-N	1	0	365.393	2.046	40	5		FEBBRO
CC(=O)N(CC[N+]1(C)CCN(C(C)=O)CC1)C[C@H]1[C@@H](C)C=C(C)C[C@@H]1C	ZINC000001253892	219392341	/nfs/dbraw/zinc/39/23/41/219392341.db2.gz	IQQCPPHPTMQNLR-WFXMLNOXSA-N	1	0	364.554	2.382	40	5		FEBBRO
CC1(C)CC(O)CC(C)(C)[NH+]1C[C@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000001473267	210356302	/nfs/dbraw/zinc/35/63/02/210356302.db2.gz	WPZSZKSRDOSXFA-AWEZNQCLSA-N	1	0	352.431	2.348	40	5		FEBBRO
C[C@@H]1C[C@H](C)C[N@@H+](CCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1	ZINC000010544072	263366463	/nfs/dbraw/zinc/36/64/63/263366463.db2.gz	DGAIXBZGYHLGTD-OKILXGFUSA-N	1	0	355.460	2.241	40	5		FEBBRO
CC1(C)NC(=[NH2+])NC(=N)N1c1cccc(OCc2cccc([N+](=O)[O-])c2)c1	ZINC000001701933	534962167	/nfs/dbraw/zinc/96/21/67/534962167.db2.gz	BTWFUYJHQBHKNS-UHFFFAOYSA-N	1	0	368.397	2.359	40	5	in-vitro	FEBBRO
C[C@H]1C[C@H](C)C[NH+](CCCNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1	ZINC000151833459	544586592	/nfs/dbraw/zinc/58/65/92/544586592.db2.gz	DSWLMHCEEXJUIX-GJZGRUSLSA-N	1	0	369.487	2.382	40	5		FEBBRO
CCCC[N+]1(C)[C@@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12	ZINC000100047075	210180611	/nfs/dbraw/zinc/18/06/11/210180611.db2.gz	YBCNXCRZPWQOBR-WVHCHWADSA-N	1	0	360.474	2.233	40	5	in-man	FEBBRO
C[C@@H]([NH2+]C[C@@H](O)COc1ccc([N+](=O)[O-])cc1)[C@@H]1COc2ccccc2O1	ZINC000013511695	220070643	/nfs/dbraw/zinc/07/06/43/220070643.db2.gz	NNUQEVKCLAMJAN-MUKKUYKPSA-N	1	0	374.393	2.153	40	5		FEBBRO
CC[NH+](CC)C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1)[C@H](COC)OC	ZINC000001646364	210363742	/nfs/dbraw/zinc/36/37/42/210363742.db2.gz	IRMZGWIBIIBLRU-CVEARBPZSA-N	1	0	354.403	2.123	40	5		FEBBRO
COc1ccccc1N1CCN(C(=[NH2+])Nc2ccc([N+](=O)[O-])cn2)CC1	ZINC000225237238	537062955	/nfs/dbraw/zinc/06/29/55/537062955.db2.gz	ZNBMPPIWQRXYDU-UHFFFAOYSA-N	1	0	356.386	2.167	40	5		FEBBRO
CC[C@H]1[C@@H](O)[N+]2(CC)[C@H]3C[C@@]45c6ccccc6N(C)[C@@H]4[C@H]2C[C@@H]1[C@H]3[C@@H]5O	ZINC000102918322	222313763	/nfs/dbraw/zinc/31/37/63/222313763.db2.gz	IPJIEDBVLQTGNW-AOJQRUICSA-N	1	0	355.502	2.089	40	5		FEBBRO
COc1ccc(OC)c2nc3c(cccc3C(=O)NCC[NH+](C)C)nc12	ZINC000005541373	539412957	/nfs/dbraw/zinc/41/29/57/539412957.db2.gz	AUZXBFTVQZNZSY-UHFFFAOYSA-N	1	0	354.410	2.092	40	5		FEBBRO
CC(=O)N(CC[N+]1(C)CCN(C(C)=O)CC1)C[C@@H]1[C@H](C)CC(C)=C[C@@H]1C	ZINC000004729495	219601752	/nfs/dbraw/zinc/60/17/52/219601752.db2.gz	IQQCPPHPTMQNLR-UEXGIBASSA-N	1	0	364.554	2.382	40	5		FEBBRO
CCCCO[C@@H]1O[C@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H](O)[C@@H]1[N+](C)(C)C	ZINC000004531101	263333762	/nfs/dbraw/zinc/33/37/62/263333762.db2.gz	ZHESEXKBFWPZMZ-RPZLJYRGSA-N	1	0	366.478	2.078	40	5		FEBBRO
C[NH+](C)CCn1ccc2nc3ccn(Cc4ccccc4)c(=O)c3cc2c1=O	ZINC000040398763	540009833	/nfs/dbraw/zinc/00/98/33/540009833.db2.gz	VIXOLNGPXAEWCO-UHFFFAOYSA-N	1	0	374.444	2.321	40	5		FEBBRO
C[NH+](C)CCCNc1nc(Nc2ccc(F)cc2[N+](=O)[O-])cc(C2CC2)n1	ZINC000328986452	223127855	/nfs/dbraw/zinc/12/78/55/223127855.db2.gz	HYPMCVFNGFLHSU-UHFFFAOYSA-N	1	0	374.420	2.352	40	5		FEBBRO
CC(=O)N(CC[N+]1(C)CCN(C(C)=O)CC1)C[C@H]1[C@H](C)C=C(C)C[C@H]1C	ZINC000004729498	539391310	/nfs/dbraw/zinc/39/13/10/539391310.db2.gz	IQQCPPHPTMQNLR-OPYAIIAOSA-N	1	0	364.554	2.382	40	5		FEBBRO
CC(=O)N(CC[N+]1(C)CCN(C(C)=O)CC1)C[C@H]1[C@H](C)C=C(C)C[C@@H]1C	ZINC000004729500	539391453	/nfs/dbraw/zinc/39/14/53/539391453.db2.gz	IQQCPPHPTMQNLR-LQWHRVPQSA-N	1	0	364.554	2.382	40	5		FEBBRO
CCC[N+]12[C@H]3C[C@@]45c6ccccc6N(C)[C@@H]4[C@@H]1C[C@H]([C@H]3[C@H]5O)[C@H](CC)[C@@H]2O	ZINC000008101173	539476941	/nfs/dbraw/zinc/47/69/41/539476941.db2.gz	UAUHEPXILIZYCU-BNQLGFNHSA-N	1	0	369.529	2.479	40	5		FEBBRO
CC(C)(C)OC(=O)NC1CCN(C(=[NH2+])Nc2ncccc2[N+](=O)[O-])CC1	ZINC000225242824	548732761	/nfs/dbraw/zinc/73/27/61/548732761.db2.gz	YJRRHPYXGYNDNY-UHFFFAOYSA-N	1	0	364.406	2.326	40	5		FEBBRO
O=c1c2ccccc2sc2c([N+](=O)[O-])ccc(NCC[NH2+]CCO)c12	ZINC000005390474	204206538	/nfs/dbraw/zinc/20/65/38/204206538.db2.gz	FDVNAMGAICQFIR-UHFFFAOYSA-N	1	0	359.407	2.317	40	5		FEBBRO
CCCCO[C@@H]1O[C@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H](O)[C@@H]1[N+](C)(C)C	ZINC000006042710	263344072	/nfs/dbraw/zinc/34/40/72/263344072.db2.gz	ZHESEXKBFWPZMZ-CFSBILQPSA-N	1	0	366.478	2.078	40	5		FEBBRO
CC1CC[NH+](CCCNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1	ZINC000020106788	521006705	/nfs/dbraw/zinc/00/67/05/521006705.db2.gz	QJGSYYVTUGQCDZ-UHFFFAOYSA-N	1	0	355.460	2.136	40	5		FEBBRO
COc1ccc(C(=O)Nc2ccc(N3CC[NH2+]CC3)c([N+](=O)[O-])c2)cc1	ZINC000020154275	539672698	/nfs/dbraw/zinc/67/26/98/539672698.db2.gz	ZVRMWHGEZCNNNO-UHFFFAOYSA-N	1	0	356.382	2.265	40	5		FEBBRO
CC(C)c1ccc2nc3ccc(C(=O)NCC[NH+](C)C)cn3c(=O)c2c1	ZINC000001607545	204013646	/nfs/dbraw/zinc/01/36/46/204013646.db2.gz	ISICVGZVKNWGIG-UHFFFAOYSA-N	1	0	352.438	2.263	40	5		FEBBRO
COC(=O)C(C(=O)OC)[C@@H](c1cccc([N+](=O)[O-])c1)[C@@H]([NH3+])c1ccccc1	ZINC000001721792	539342433	/nfs/dbraw/zinc/34/24/33/539342433.db2.gz	OCNWDUSZKFSFIX-WBVHZDCISA-N	1	0	372.377	2.341	40	5		FEBBRO
O=[N+]([O-])c1ccc(OC[C@H](O)CN2CC[NH+](Cc3ccccc3)CC2)cc1	ZINC000006061204	204235853	/nfs/dbraw/zinc/23/58/53/204235853.db2.gz	VJTSNKHLXJXQDA-LJQANCHMSA-N	1	0	371.437	2.152	40	5		FEBBRO
CC1(C)CC(O)CC(C)(C)[NH+]1C[C@@H](O)COc1ccc([N+](=O)[O-])cc1	ZINC000001473270	206149733	/nfs/dbraw/zinc/14/97/33/206149733.db2.gz	OWSDJVCAVGWJHW-OAHLLOKOSA-N	1	0	352.431	2.348	40	5		FEBBRO
C=CC[N+]12[C@H]3C[C@@]45c6ccccc6N(C)[C@H]4[C@@H]1C[C@H]([C@H]3[C@@H]5O)[C@H](CC)[C@H]2O	ZINC000100743362	543025594	/nfs/dbraw/zinc/02/55/94/543025594.db2.gz	LSVIWPNZJIGKRQ-DRUOTZOMSA-N	1	0	367.513	2.255	40	5		FEBBRO
CCC[N+]12[C@H]3C[C@@]45c6ccccc6N(C)[C@H]4[C@@H]1C[C@H]([C@@H]3[C@@H]5O)[C@H](CC)[C@H]2O	ZINC000070669804	541735287	/nfs/dbraw/zinc/73/52/87/541735287.db2.gz	UAUHEPXILIZYCU-VXAJEVNASA-N	1	0	369.529	2.479	40	5		FEBBRO
COc1ccccc1N1CCN(C(=[NH2+])Nc2ncccc2[N+](=O)[O-])CC1	ZINC000225244099	537063146	/nfs/dbraw/zinc/06/31/46/537063146.db2.gz	WPKUPOQULXTRAJ-UHFFFAOYSA-N	1	0	356.386	2.167	40	5		FEBBRO
C[C@@H]([NH2+]C[C@H](O)COc1ccc([N+](=O)[O-])cc1)[C@H]1COc2ccccc2O1	ZINC000004765174	204163404	/nfs/dbraw/zinc/16/34/04/204163404.db2.gz	NNUQEVKCLAMJAN-FRIZHTMISA-N	1	0	374.393	2.153	40	5		FEBBRO
Cc1ccc(S(=O)(=O)NCCC[NH+]2CCCCCC2)cc1[N+](=O)[O-]	ZINC000010111249	204390846	/nfs/dbraw/zinc/39/08/46/204390846.db2.gz	YKBYMVHKBKWIMU-UHFFFAOYSA-N	1	0	355.460	2.448	40	5		FEBBRO
C[C@@H]([NH2+]C[C@H](O)COc1ccc([N+](=O)[O-])cc1)[C@@H]1COc2ccccc2O1	ZINC000004765166	204161903	/nfs/dbraw/zinc/16/19/03/204161903.db2.gz	NNUQEVKCLAMJAN-WTANOLMUSA-N	1	0	374.393	2.153	40	5		FEBBRO
CCOc1ccc(Nc2nc(N3CC[NH2+]CC3)nc(C)c2[N+](=O)[O-])cc1	ZINC000005393479	539410370	/nfs/dbraw/zinc/41/03/70/539410370.db2.gz	OFMJSAWSKBUNLI-UHFFFAOYSA-N	1	0	358.402	2.245	40	5		FEBBRO
O=C1c2cccc([N+](=O)[O-])c2OCC1(CN1CCCC1)C[NH+]1CCCC1	ZINC000034781547	539977640	/nfs/dbraw/zinc/97/76/40/539977640.db2.gz	IPECKXWGVCWHGG-UHFFFAOYSA-N	1	0	359.426	2.348	40	5		FEBBRO
CCOC(=O)CN(C(=O)C[NH2+]C1CCCCC1)c1cccc([N+](=O)[O-])c1	ZINC000004891342	206184248	/nfs/dbraw/zinc/18/42/48/206184248.db2.gz	HSCAXGFYIMNVCG-UHFFFAOYSA-N	1	0	363.414	2.413	40	5		FEBBRO
Cc1cccc(OCC(=O)Nc2ccc(N3CC[NH2+]CC3)c([N+](=O)[O-])c2)c1	ZINC000020154319	263378967	/nfs/dbraw/zinc/37/89/67/263378967.db2.gz	KJYLOIMXYVZFEW-UHFFFAOYSA-N	1	0	370.409	2.330	40	5		FEBBRO
O=C(COc1ccccc1)Nc1ccc(N2CC[NH2+]CC2)c([N+](=O)[O-])c1	ZINC000020154315	539673377	/nfs/dbraw/zinc/67/33/77/539673377.db2.gz	WIPRORJJDHPYHA-UHFFFAOYSA-N	1	0	356.382	2.022	40	5		FEBBRO
Nc1nn(CC(=O)c2ccc([N+](=O)[O-])cc2)c(=S)n1Nc1cc[nH+]cc1	ZINC000028535051	539833703	/nfs/dbraw/zinc/83/37/03/539833703.db2.gz	NEJUABSCEWRPKX-UHFFFAOYSA-N	1	0	371.382	2.058	40	5		FEBBRO
O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[NH+](Cc2ccccc2)CC1	ZINC000006061201	207127366	/nfs/dbraw/zinc/12/73/66/207127366.db2.gz	OGLRGGYRJDHDLU-SFHVURJKSA-N	1	0	371.437	2.152	40	5		FEBBRO
Cc1ccc(S(=O)(=O)NCCC[NH+]2CCC(C)CC2)cc1[N+](=O)[O-]	ZINC000010540872	539518977	/nfs/dbraw/zinc/51/89/77/539518977.db2.gz	UDMGSGGKOPRDRB-UHFFFAOYSA-N	1	0	355.460	2.304	40	5		FEBBRO
C[C@@H]1C[C@H](C)C[N@@H+](CCCNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1	ZINC000151833390	544586083	/nfs/dbraw/zinc/58/60/83/544586083.db2.gz	DSWLMHCEEXJUIX-GASCZTMLSA-N	1	0	369.487	2.382	40	5		FEBBRO
O=[N+]([O-])c1cccc(CS(=O)(=O)NCCC[NH+]2CCCCCC2)c1	ZINC000020494981	527387748	/nfs/dbraw/zinc/38/77/48/527387748.db2.gz	WSTLKQIJQXCJMD-UHFFFAOYSA-N	1	0	355.460	2.280	40	5		FEBBRO
C[NH+](C)CCCNc1nc(Nc2ccc(F)c([N+](=O)[O-])c2)cc(C2CC2)n1	ZINC000329070534	553875058	/nfs/dbraw/zinc/87/50/58/553875058.db2.gz	ZHIHRJDYEGQUAT-UHFFFAOYSA-N	1	0	374.420	2.352	40	5		FEBBRO
CCCCOC(=O)c1cc([N+](=O)[O-])c(N2CC[NH2+][C@H](C)C2)c([N+](=O)[O-])c1	ZINC000059489748	540864808	/nfs/dbraw/zinc/86/48/08/540864808.db2.gz	FHYAMOMVJAWKDF-LLVKDONJSA-N	1	0	366.374	2.258	40	5		FEBBRO
CC[C@@H]1[C@@H](O)[N+]2(CC)[C@H]3C[C@@]45c6ccccc6N(C)[C@H]4[C@H]2C[C@@H]1[C@H]3[C@@H]5O	ZINC000100744360	543025608	/nfs/dbraw/zinc/02/56/08/543025608.db2.gz	IPJIEDBVLQTGNW-PPQVJNBQSA-N	1	0	355.502	2.089	40	5		FEBBRO
C[C@@H]1C[C@H](C)C[N@@H+](CCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000010544076	263366289	/nfs/dbraw/zinc/36/62/89/263366289.db2.gz	JGYMDXIIHOASJT-OKILXGFUSA-N	1	0	355.460	2.241	40	5		FEBBRO
CCCCOC(=O)c1cc([N+](=O)[O-])c(N2CC[NH2+][C@@H](C)C2)c([N+](=O)[O-])c1	ZINC000059489749	540865238	/nfs/dbraw/zinc/86/52/38/540865238.db2.gz	FHYAMOMVJAWKDF-NSHDSACASA-N	1	0	366.374	2.258	40	5		FEBBRO
COC(=O)C(C(=O)OC)[C@H](c1cccc([N+](=O)[O-])c1)[C@@H]([NH3+])c1ccccc1	ZINC000001721793	210366998	/nfs/dbraw/zinc/36/69/98/210366998.db2.gz	OCNWDUSZKFSFIX-RDJZCZTQSA-N	1	0	372.377	2.341	40	5		FEBBRO
Cc1ccc(NCC[NH2+]C[C@H](O)CO)c2c(=O)c3ccccc3sc12	ZINC000005930871	539419327	/nfs/dbraw/zinc/41/93/27/539419327.db2.gz	IYPDHQJNMPIPIW-ZDUSSCGKSA-N	1	0	358.463	2.078	40	5		FEBBRO
O=C(Nc1ccc(N2CC[NH2+]CC2)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1	ZINC000020154258	539672672	/nfs/dbraw/zinc/67/26/72/539672672.db2.gz	SKEOXJMVTUXBDF-UHFFFAOYSA-N	1	0	371.353	2.165	40	5		FEBBRO
C[NH+](C)CCn1ncc(Sc2cc([N+](=O)[O-])ccc2N)c(Cl)c1=O	ZINC000005549537	210627275	/nfs/dbraw/zinc/62/72/75/210627275.db2.gz	LHINICAPDKLUOV-UHFFFAOYSA-N	1	0	369.834	2.100	40	5		FEBBRO
CCCCO[C@H]1O[C@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H](O)[C@@H]1[N+](C)(C)C	ZINC000006042709	263343997	/nfs/dbraw/zinc/34/39/97/263343997.db2.gz	ZHESEXKBFWPZMZ-MJUPKGCFSA-N	1	0	366.478	2.078	40	5		FEBBRO
Cc1ccccc1OCC(=O)Nc1ccc(N2CC[NH2+]CC2)c([N+](=O)[O-])c1	ZINC000020154317	263379263	/nfs/dbraw/zinc/37/92/63/263379263.db2.gz	FFZMTCSUFPQNHA-UHFFFAOYSA-N	1	0	370.409	2.330	40	5		FEBBRO
Cc1ccc(NCC[NH2+]C[C@@H](O)CO)c2c(=O)c3ccccc3sc12	ZINC000004367232	539383516	/nfs/dbraw/zinc/38/35/16/539383516.db2.gz	IYPDHQJNMPIPIW-CYBMUJFWSA-N	1	0	358.463	2.078	40	5		FEBBRO
C[N+]12CCc3cc4c(cc3[C@]1(O)Cc1ccc3c(c1C2)OCO3)OCO4	ZINC000014681293	211099048	/nfs/dbraw/zinc/09/90/48/211099048.db2.gz	SZMZXQWCICMUFH-VQCQRNETSA-N	1	0	354.382	2.048	40	5		FEBBRO
C[N+]12CCc3cc4c(cc3[C@@]1(O)Cc1ccc3c(c1C2)OCO3)OCO4	ZINC000014681291	211099059	/nfs/dbraw/zinc/09/90/59/211099059.db2.gz	SZMZXQWCICMUFH-BGERDNNASA-N	1	0	354.382	2.048	40	5		FEBBRO
O=[N+]([O-])c1ccccc1CN1C[C@H](O)C[C@H]1c1nc(-c2ccncc2)no1	ZINC000015674464	220158596	/nfs/dbraw/zinc/15/85/96/220158596.db2.gz	XMCPJZVUOLLYDV-ZBFHGGJFSA-N	1	0	367.365	2.348	40	5	biogenic,in-vitro	FEBBRO
O=[N+]([O-])c1cccc(-c2noc([C@@H]3C[C@@H](O)CN3Cc3cccnc3)n2)c1	ZINC000015674857	220159406	/nfs/dbraw/zinc/15/94/06/220159406.db2.gz	IPKOZACPHYDTLM-CVEARBPZSA-N	1	0	367.365	2.348	40	5	biogenic,in-vitro	FEBBRO
C[C@@H]1C[C@@H](C)C[NH+](CCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000010544078	263366439	/nfs/dbraw/zinc/36/64/39/263366439.db2.gz	JGYMDXIIHOASJT-ZIAGYGMSSA-N	1	0	355.460	2.241	40	5		FEBBRO
CC1(C)CC(O)CC(C)(C)[NH+]1C[C@H](O)COc1ccc([N+](=O)[O-])cc1	ZINC000001473269	539341718	/nfs/dbraw/zinc/34/17/18/539341718.db2.gz	OWSDJVCAVGWJHW-HNNXBMFYSA-N	1	0	352.431	2.348	40	5		FEBBRO
Cc1c(Nc2cc(C3CC3)nc(NCC[NH+](C)C)n2)cccc1[N+](=O)[O-]	ZINC000329008971	223128441	/nfs/dbraw/zinc/12/84/41/223128441.db2.gz	LTSHAVGBEVHNBL-UHFFFAOYSA-N	1	0	356.430	2.132	40	5		FEBBRO
C[C@@H]1C[C@@H](C)C[NH+](CCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1	ZINC000010544038	263366256	/nfs/dbraw/zinc/36/62/56/263366256.db2.gz	SNPGUQZUEPNILJ-ZIAGYGMSSA-N	1	0	355.460	2.241	40	5		FEBBRO
O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[NH+](Cc2ccccc2)CC1	ZINC000006061206	539420767	/nfs/dbraw/zinc/42/07/67/539420767.db2.gz	OGLRGGYRJDHDLU-GOSISDBHSA-N	1	0	371.437	2.152	40	5		FEBBRO
Cc1ccc(OCC(=O)Nc2ccc(N3CC[NH2+]CC3)c([N+](=O)[O-])c2)cc1	ZINC000020154321	539673327	/nfs/dbraw/zinc/67/33/27/539673327.db2.gz	PZNMTWXDJPTGGC-UHFFFAOYSA-N	1	0	370.409	2.330	40	5		FEBBRO
COC(=O)C(C(=O)OC)[C@@H](c1cccc([N+](=O)[O-])c1)[C@H]([NH3+])c1ccccc1	ZINC000001721790	539342696	/nfs/dbraw/zinc/34/26/96/539342696.db2.gz	OCNWDUSZKFSFIX-NVXWUHKLSA-N	1	0	372.377	2.341	40	5		FEBBRO
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCC[NH+]1CCCCCC1	ZINC000010111321	263363213	/nfs/dbraw/zinc/36/32/13/263363213.db2.gz	AYFHVBDFFXKXCS-UHFFFAOYSA-N	1	0	355.460	2.448	40	5		FEBBRO