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(C[NH+]2CCCC2)cc1)c1cccc([N+](=O)[O-])c1	ZINC000005996523	452915450	/nfs/dbraw/zinc/91/54/50/452915450.db2.gz	FGYBVUVOFOTVJI-UHFFFAOYSA-N	1	0	325.368	3.443	40	5		EGBBRO
Cc1ccc(NC(=O)NCCC[N@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-]	ZINC000040095648	453947242	/nfs/dbraw/zinc/94/72/42/453947242.db2.gz	IFVBQQPUCVHMOO-AWEZNQCLSA-N	1	0	334.420	3.289	40	5		EGBBRO
O=[N+]([O-])c1ccc(C[N@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)cc1F	ZINC000253392389	455837231	/nfs/dbraw/zinc/83/72/31/455837231.db2.gz	QDYXYKOKZXEUAE-ZIAGYGMSSA-N	1	0	340.420	3.220	40	5		EGBBRO
O=C(NCCC[NH+]1CCCCCC1)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000013647690	201905246	/nfs/dbraw/zinc/90/52/46/201905246.db2.gz	OCXDLEPYQFJYAT-UHFFFAOYSA-N	1	0	339.823	3.244	40	5		EGBBRO
CCCC[N+]1(C)[C@@H]2CC[C@H]1C[C@@H](OC(=O)[C@@H](CO)c1ccccc1)C2	ZINC000100751255	206254860	/nfs/dbraw/zinc/25/48/60/206254860.db2.gz	ZPLFTMSGAJIVDZ-SPQRYHPESA-N	1	0	346.491	3.246	40	5		EGBBRO
COc1ccc(C(=O)OC[C@@H]2CCC[N+]3(C)CCCC[C@H]23)c(OC)c1	ZINC000000174842	452526722	/nfs/dbraw/zinc/52/67/22/452526722.db2.gz	NTAGDDRMEQJRBZ-WTCNWRFRSA-N	1	0	348.463	3.270	40	5		EGBBRO
CC1(C)CC(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC(C)(C)[NH2+]1	ZINC000000217346	206209668	/nfs/dbraw/zinc/20/96/68/206209668.db2.gz	DMZWIAWFBOANJL-UHFFFAOYSA-N	1	0	339.823	3.287	40	5		EGBBRO
COc1cc([C@@H](O)C[N+](C)(C)C)c(/C=C/c2ccccc2)cc1O	ZINC000003847347	452784897	/nfs/dbraw/zinc/78/48/97/452784897.db2.gz	WYUUGMHVWARONQ-VYENPZKTSA-O	1	0	328.432	3.311	40	5		EGBBRO
Cc1c(C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)cccc1[N+](=O)[O-]	ZINC000096490849	454368579	/nfs/dbraw/zinc/36/85/79/454368579.db2.gz	FMXDVHCPBQDURV-ZDUSSCGKSA-N	1	0	348.424	3.158	40	5		EGBBRO
CCCC[N+]1(C)[C@@H]2CC[C@H]1C[C@@H](OC(=O)[C@H](CO)c1ccccc1)C2	ZINC000100751258	206255248	/nfs/dbraw/zinc/25/52/48/206255248.db2.gz	ZPLFTMSGAJIVDZ-RGDJTVPYSA-N	1	0	346.491	3.246	40	5		EGBBRO
CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cccc([N+](=O)[O-])c1C	ZINC000010543025	453296100	/nfs/dbraw/zinc/29/61/00/453296100.db2.gz	LHGAOXUXJLOXCT-HNNXBMFYSA-N	1	0	333.432	3.288	40	5		EGBBRO
Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC([NH+]2CC=CC2)CC1	ZINC000160579464	455476546	/nfs/dbraw/zinc/47/65/46/455476546.db2.gz	IUQHMGGTXIGJBN-UHFFFAOYSA-N	1	0	344.415	3.080	40	5		EGBBRO
[NH2+]=C(Nc1ncccc1[N+](=O)[O-])N1CCC(Cc2ccccc2)CC1	ZINC000225244739	456075644	/nfs/dbraw/zinc/07/56/44/456075644.db2.gz	SVKFPXBGEFYWAA-UHFFFAOYSA-N	1	0	339.399	3.291	40	5		EGBBRO
CC[NH+](CC)CCCn1c2ccc(C)cc2[nH]c2cc(=O)c(=O)cc1-2	ZINC000031962389	202216330	/nfs/dbraw/zinc/21/63/30/202216330.db2.gz	YVJOPIBQRYUAFO-UHFFFAOYSA-N	1	0	339.439	3.247	40	5		EGBBRO
CC[N+](C)(CC)CCOC(=O)[C@](O)(c1cccs1)C1CCCC1	ZINC000001690860	201517696	/nfs/dbraw/zinc/51/76/96/201517696.db2.gz	NEMLPWNINZELKP-GOSISDBHSA-N	1	0	340.509	3.156	40	5	in-man	EGBBRO
CCOc1cc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2)ccc1OC	ZINC000006870250	257865571	/nfs/dbraw/zinc/86/55/71/257865571.db2.gz	BHNMLGMPXDHJHQ-UHFFFAOYSA-N	1	0	345.399	3.204	40	5		EGBBRO
Cc1cccc(N2CC[NH+](CCOc3cccc([N+](=O)[O-])c3)CC2)c1	ZINC000036394281	132392254	/nfs/dbraw/zinc/39/22/54/132392254.db2.gz	FBOGCYDIRPCVTJ-UHFFFAOYSA-N	1	0	341.411	3.104	40	5		EGBBRO
Cc1nn(C)c(NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1[N+](=O)[O-]	ZINC000078338379	202390131	/nfs/dbraw/zinc/39/01/31/202390131.db2.gz	MUWUIWXFWSOZRB-DOMZBBRYSA-N	1	0	349.460	3.193	40	5		EGBBRO
C[N+]1(C)[C@H]2Cc3cc4c(cc3[C@@H]1Cc1cc3c(cc12)OCO3)OCO4	ZINC000002556361	452704850	/nfs/dbraw/zinc/70/48/50/452704850.db2.gz	HFYKETHYKFKFQE-HOTGVXAUSA-N	1	0	338.383	3.115	40	5		EGBBRO
CC(C)CC[C@](O)(C(=O)OCC[N+]1(C)CCC[C@H]1C)c1ccccc1	ZINC000004416254	452801378	/nfs/dbraw/zinc/80/13/78/452801378.db2.gz	UZPQAIJFYJIPJB-QOCBGMSTSA-N	1	0	348.507	3.483	40	5		EGBBRO
COc1ccc(C(=O)OC[C@@H]2CCC[N+]3(C)CCCC[C@@H]23)cc1OC	ZINC000004610440	452811232	/nfs/dbraw/zinc/81/12/32/452811232.db2.gz	BYQBQROBDPKWJI-MVWJYJSVSA-N	1	0	348.463	3.270	40	5		EGBBRO
O=[N+]([O-])c1ccc(-c2nnc(SCC[NH+]3CCCCC3)o2)cc1	ZINC000004952374	452827538	/nfs/dbraw/zinc/82/75/38/452827538.db2.gz	GAHMYXPCBJMICZ-UHFFFAOYSA-N	1	0	334.401	3.223	40	5		EGBBRO
C[NH+](C)[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccsc1	ZINC000024741422	453743910	/nfs/dbraw/zinc/74/39/10/453743910.db2.gz	QFJVILAPEHLHPU-AWEZNQCLSA-N	1	0	334.401	3.081	40	5		EGBBRO
Cc1ccc(NC(=O)C[N@@H+](C)[C@@H]2CCc3ccccc32)cc1[N+](=O)[O-]	ZINC000029483387	453829114	/nfs/dbraw/zinc/82/91/14/453829114.db2.gz	NSLZWHZCNWJSSC-QGZVFWFLSA-N	1	0	339.395	3.461	40	5		EGBBRO
C[N@H+](CC(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCc2ccccc21	ZINC000029483335	453829179	/nfs/dbraw/zinc/82/91/79/453829179.db2.gz	QZVMQWSYWNLIBP-QGZVFWFLSA-N	1	0	325.368	3.153	40	5		EGBBRO
Cc1cccc(OCC(=O)OC[C@@H]2CCC[N@+]3(C)CCCC[C@H]23)c1	ZINC000252461205	455805150	/nfs/dbraw/zinc/80/51/50/455805150.db2.gz	LGLFLWYTGMHRCZ-DSKINZAPSA-N	1	0	332.464	3.326	40	5	biogenic	EGBBRO
[NH2+]=C(Nc1ccc([N+](=O)[O-])cn1)N1CCC(Cc2ccccc2)CC1	ZINC000225237909	456075133	/nfs/dbraw/zinc/07/51/33/456075133.db2.gz	ZALIVWQQLUQEQT-UHFFFAOYSA-N	1	0	339.399	3.291	40	5		EGBBRO
Cc1c([C@H](C)[NH2+][C@H]2CCN(C(=O)C3CCCC3)C2)cccc1[N+](=O)[O-]	ZINC000096479365	218855842	/nfs/dbraw/zinc/85/58/42/218855842.db2.gz	BWOYKEZQYGECHB-HOCLYGCPSA-N	1	0	345.443	3.345	40	5		EGBBRO
Cc1c([C@H](C)[NH2+][C@@H]2CCN(C(=O)C3CCCC3)C2)cccc1[N+](=O)[O-]	ZINC000096479361	454364213	/nfs/dbraw/zinc/36/42/13/454364213.db2.gz	BWOYKEZQYGECHB-GOEBONIOSA-N	1	0	345.443	3.345	40	5		EGBBRO
CC[N+](C)(CC)CCC(C(N)=O)(c1ccccc1)c1ccccc1	ZINC000001700053	452675443	/nfs/dbraw/zinc/67/54/43/452675443.db2.gz	LXVDFTOLOIKPCU-UHFFFAOYSA-O	1	0	325.476	3.335	40	5		EGBBRO
C[C@@H]1CCCC[N@@H+]1CCCOC(=O)c1noc2cc([N+](=O)[O-])ccc21	ZINC000004783490	452817009	/nfs/dbraw/zinc/81/70/09/452817009.db2.gz	UHRBFNMRHIJQME-GFCCVEGCSA-N	1	0	347.371	3.157	40	5		EGBBRO
C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCCc2ccccc21	ZINC000027360139	453815563	/nfs/dbraw/zinc/81/55/63/453815563.db2.gz	YZLRERUSZVLQOL-KRWDZBQOSA-N	1	0	339.395	3.203	40	5		EGBBRO
CCCC[N@+]1(C)[C@@H]2CC[C@H]1C[C@@H](OC(=O)[C@H](CO)c1ccccc1)C2	ZINC000252463207	455805565	/nfs/dbraw/zinc/80/55/65/455805565.db2.gz	ZPLFTMSGAJIVDZ-VRRLNDPFSA-N	1	0	346.491	3.246	40	5	biogenic	EGBBRO
COc1ccc(C[C@@H]2c3cc(O)c(OC)cc3CC[N+]2(C)C)cc1O	ZINC000000345846	452568279	/nfs/dbraw/zinc/56/82/79/452568279.db2.gz	ABSDACFLIMOXJY-MRXNPFEDSA-O	1	0	344.431	3.031	40	5	biogenic,in-vitro	EGBBRO
CC[N+](C)(CC)CCOC(=O)[C@@H](c1ccccc1)[C@H](O)C1CCCC1	ZINC000001593606	452670230	/nfs/dbraw/zinc/67/02/30/452670230.db2.gz	PKYZTSVPDQJLCD-VQTJNVASSA-N	1	0	348.507	3.351	40	5		EGBBRO
Cc1ccc(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1[N+](=O)[O-]	ZINC000013647227	453478843	/nfs/dbraw/zinc/47/88/43/453478843.db2.gz	RTVPDWPBLQVTMV-ZIAGYGMSSA-N	1	0	333.432	3.001	40	5		EGBBRO
C[N+]1(CCC(C(N)=O)(c2ccccc2)c2ccccc2)CCCCC1	ZINC000000001439	452490672	/nfs/dbraw/zinc/49/06/72/452490672.db2.gz	QDIYJDPBMZUZEH-UHFFFAOYSA-O	1	0	337.487	3.479	40	5	investigational	EGBBRO
CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000013613330	453473963	/nfs/dbraw/zinc/47/39/63/453473963.db2.gz	NWUXOBRHOXLZAW-MRXNPFEDSA-N	1	0	333.432	3.288	40	5		EGBBRO
Cc1ccsc1C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)C	ZINC000058157843	454165994	/nfs/dbraw/zinc/16/59/94/454165994.db2.gz	JRJPASVESFEJDN-UHFFFAOYSA-N	1	0	347.440	3.474	40	5		EGBBRO
O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC(OC3CCCCC3)CC2)c1	ZINC000096483415	454365110	/nfs/dbraw/zinc/36/51/10/454365110.db2.gz	MIKYGZVTHHPOLW-IBGZPJMESA-N	1	0	348.443	3.442	40	5		EGBBRO
CCCC[N@@+]1(C)[C@@H]2CC[C@H]1C[C@@H](OC(=O)[C@H](CO)c1ccccc1)C2	ZINC000252463206	521255433	/nfs/dbraw/zinc/25/54/33/521255433.db2.gz	ZPLFTMSGAJIVDZ-QWPXSNKBSA-N	1	0	346.491	3.246	40	5	biogenic	EGBBRO
CC[N+](C)(CC)CCOC(=O)[C@H](c1ccccc1)[C@@H](O)C1CCCC1	ZINC000001593609	209765480	/nfs/dbraw/zinc/76/54/80/209765480.db2.gz	PKYZTSVPDQJLCD-UXHICEINSA-N	1	0	348.507	3.351	40	5		EGBBRO
C[C@H]1CCCC[N@@H+]1CCCOC(=O)c1noc2cc([N+](=O)[O-])ccc21	ZINC000001670693	452672037	/nfs/dbraw/zinc/67/20/37/452672037.db2.gz	UHRBFNMRHIJQME-LBPRGKRZSA-N	1	0	347.371	3.157	40	5		EGBBRO
COc1ccc2sc3cccc(NCC[NH+](C)C)c3c(=O)c2c1	ZINC000005487737	452878904	/nfs/dbraw/zinc/87/89/04/452878904.db2.gz	LXACNBOGQYSBSG-UHFFFAOYSA-N	1	0	328.437	3.397	40	5		EGBBRO
COc1cccc([C@@H](O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)c1	ZINC000095422273	454208011	/nfs/dbraw/zinc/20/80/11/454208011.db2.gz	GIVJNYQWINWXJA-ACJLOTCBSA-N	1	0	330.384	3.296	40	5		EGBBRO
Cc1c([C@@H](C)[NH2+][C@H]2CCN(C(=O)C3CCCC3)C2)cccc1[N+](=O)[O-]	ZINC000096479363	454363958	/nfs/dbraw/zinc/36/39/58/454363958.db2.gz	BWOYKEZQYGECHB-ZBFHGGJFSA-N	1	0	345.443	3.345	40	5		EGBBRO
CC(C)CC[C@](O)(C(=O)OCC[N+]1(C)CCC[C@@H]1C)c1ccccc1	ZINC000004416259	210191292	/nfs/dbraw/zinc/19/12/92/210191292.db2.gz	UZPQAIJFYJIPJB-UTCGOKLKSA-N	1	0	348.507	3.483	40	5		EGBBRO
O=C(O[C@@H](C[n+]1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1	ZINC000001667303	452672914	/nfs/dbraw/zinc/67/29/14/452672914.db2.gz	JSYLIBFRMVURAS-IBGZPJMESA-N	1	0	349.366	3.481	40	5		EGBBRO
Cc1ccc(CN(CC[NH+](C)C)C(=O)Nc2ccc([N+](=O)[O-])cc2)o1	ZINC000040157215	213275550	/nfs/dbraw/zinc/27/55/50/213275550.db2.gz	PJQPCZROIVGLIF-UHFFFAOYSA-N	1	0	346.387	3.092	40	5		EGBBRO
Cc1ccc(NC(=O)NCCC[N@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-]	ZINC000040095651	213263774	/nfs/dbraw/zinc/26/37/74/213263774.db2.gz	IFVBQQPUCVHMOO-CQSZACIVSA-N	1	0	334.420	3.289	40	5		EGBBRO
Cn1cc(C[NH2+]CCc2cccs2)c(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000078979791	217163446	/nfs/dbraw/zinc/16/34/46/217163446.db2.gz	WEFQRPZICZEQHW-UHFFFAOYSA-N	1	0	342.424	3.389	40	5		EGBBRO
COc1ccc(C(=O)OC[C@@H]2CCC[N@@+]3(C)CCCC[C@H]23)cc1OC	ZINC000245231347	455281130	/nfs/dbraw/zinc/28/11/30/455281130.db2.gz	BYQBQROBDPKWJI-CSODHUTKSA-N	1	0	348.463	3.270	40	5		EGBBRO
CC(C)(C)[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[C@@H]1O	ZINC000606428351	460668092	/nfs/dbraw/zinc/66/80/92/460668092.db2.gz	UQNAGARWZLYOMC-IKGGRYGDSA-N	1	0	336.432	3.032	40	5		EGBBRO
Cc1ncc(C[N@@H+]2CC[C@H](Nc3ncccc3[N+](=O)[O-])[C@@H](C)C2)s1	ZINC000110613676	220049327	/nfs/dbraw/zinc/04/93/27/220049327.db2.gz	BYGYOTMXIRAUOE-FZMZJTMJSA-N	1	0	347.444	3.077	40	5		EGBBRO
C[N@+]12CCCC[C@@H]1[C@@H](CCOC(=O)c1ccc3c(c1)OCO3)CCC2	ZINC000245232053	455281303	/nfs/dbraw/zinc/28/13/03/455281303.db2.gz	OLCWHQXGGWAZGC-QLVMHMETSA-N	1	0	346.447	3.371	40	5		EGBBRO
O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1cccc([N+](=O)[O-])c1	ZINC000007923693	210864243	/nfs/dbraw/zinc/86/42/43/210864243.db2.gz	DCUKZKXUJWOZKL-UHFFFAOYSA-N	1	0	339.395	3.121	40	5		EGBBRO
C[n+]1ccc(Nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1	ZINC000001755787	452677367	/nfs/dbraw/zinc/67/73/67/452677367.db2.gz	UUHFSDOHLKXJTC-UHFFFAOYSA-O	1	0	349.370	3.415	40	5		EGBBRO
CCCC[N+]1(C)CC[C@@]23C=C[C@H](O)C[C@@H]2Oc2c3c(ccc2OC)C1	ZINC000004026621	452791019	/nfs/dbraw/zinc/79/10/19/452791019.db2.gz	JZDSVQZNQHDBEN-GBPFCBBGSA-N	1	0	344.475	3.165	40	5		EGBBRO
Cc1c(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cccc1[N+](=O)[O-]	ZINC000013673326	453480402	/nfs/dbraw/zinc/48/04/02/453480402.db2.gz	LTEWBUIEOUTQOY-OKILXGFUSA-N	1	0	333.432	3.001	40	5		EGBBRO
Cc1c(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cccc1[N+](=O)[O-]	ZINC000013673322	211603836	/nfs/dbraw/zinc/60/38/36/211603836.db2.gz	LTEWBUIEOUTQOY-ZIAGYGMSSA-N	1	0	333.432	3.001	40	5		EGBBRO
O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc([N+](=O)[O-])cc1	ZINC000008406267	210949857	/nfs/dbraw/zinc/94/98/57/210949857.db2.gz	UWENKNXDALXCBI-UHFFFAOYSA-N	1	0	339.395	3.121	40	5		EGBBRO
O=[N+]([O-])c1ccc(C(c2ccc([N+](=O)[O-])cc2)[n+]2ccccc2)cc1	ZINC000004404214	285109745	/nfs/dbraw/zinc/10/97/45/285109745.db2.gz	BRZNFTFEXDMTGN-UHFFFAOYSA-N	1	0	336.327	3.428	40	5		EGBBRO
C[NH+](C)CCNc1ccc([N+](=O)[O-])c2sc3ccccc3c(=O)c12	ZINC000004705572	273796854	/nfs/dbraw/zinc/79/68/54/273796854.db2.gz	PEWQOANBYFRFKW-UHFFFAOYSA-N	1	0	343.408	3.296	40	5		EGBBRO
C[NH+](C)[C@H](CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccsc1	ZINC000025810633	453787208	/nfs/dbraw/zinc/78/72/08/453787208.db2.gz	WPUDLXIGMKQMFF-FYCOFBDGSA-N	1	0	345.424	3.089	40	5		EGBBRO
Cc1cc(O)c(NCC[NH+](C)C)c2c(=O)c3ccccc3sc12	ZINC000005390094	452867702	/nfs/dbraw/zinc/86/77/02/452867702.db2.gz	WNUNSSRKZIAHLV-UHFFFAOYSA-N	1	0	328.437	3.402	40	5		EGBBRO
COc1cc(NC(=O)C[N@H+](C)C2CCCCC2)c(C)cc1[N+](=O)[O-]	ZINC000006638062	452962654	/nfs/dbraw/zinc/96/26/54/452962654.db2.gz	XMFHMXBOPJOEEJ-UHFFFAOYSA-N	1	0	335.404	3.115	40	5		EGBBRO
O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000038853842	213228465	/nfs/dbraw/zinc/22/84/65/213228465.db2.gz	JPRXLQCMXSWMOO-INIZCTEOSA-N	1	0	339.395	3.446	40	5		EGBBRO
COc1ccc(C[C@H]2c3cc(O)c(OC)cc3CC[N+]2(C)C)cc1O	ZINC000000345847	209543531	/nfs/dbraw/zinc/54/35/31/209543531.db2.gz	ABSDACFLIMOXJY-INIZCTEOSA-O	1	0	344.431	3.031	40	5	biogenic,in-vitro	EGBBRO
C[N+](C)(C)CCOC(=O)c1ccccc1CCC(=O)c1ccccc1	ZINC000005535199	210483020	/nfs/dbraw/zinc/48/30/20/210483020.db2.gz	GGFNASUYODZBSF-UHFFFAOYSA-N	1	0	340.443	3.365	40	5		EGBBRO
Cc1ncc(C[N@@H+]2CC[C@H](Nc3ncccc3[N+](=O)[O-])[C@H](C)C2)s1	ZINC000096419450	454335411	/nfs/dbraw/zinc/33/54/11/454335411.db2.gz	BYGYOTMXIRAUOE-RISCZKNCSA-N	1	0	347.444	3.077	40	5		EGBBRO
COc1ccc(C(=O)OC[C@@H]2CCC[N@+]3(C)CCCC[C@H]23)cc1OC	ZINC000245231349	455281212	/nfs/dbraw/zinc/28/12/12/455281212.db2.gz	BYQBQROBDPKWJI-FVJLSDCUSA-N	1	0	348.463	3.270	40	5		EGBBRO
COc1ccccc1C(C)(C)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-]	ZINC000078440882	217052953	/nfs/dbraw/zinc/05/29/53/217052953.db2.gz	BFJMNCBGDFXTJJ-UHFFFAOYSA-N	1	0	343.383	3.067	40	5		EGBBRO
O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1ccc([N+](=O)[O-])cc1	ZINC000046374505	454246638	/nfs/dbraw/zinc/24/66/38/454246638.db2.gz	REGPYXUJPGYFQL-UHFFFAOYSA-N	1	0	339.395	3.121	40	5		EGBBRO
O=C(Nc1cccc(C[NH+]2CCCC2)c1)c1ccc([N+](=O)[O-])cc1	ZINC000040086930	213260510	/nfs/dbraw/zinc/26/05/10/213260510.db2.gz	AGYDYZYRICWYEM-UHFFFAOYSA-N	1	0	325.368	3.443	40	5		EGBBRO
C[NH+](C)[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccsc1	ZINC000024741425	453743870	/nfs/dbraw/zinc/74/38/70/453743870.db2.gz	QFJVILAPEHLHPU-CQSZACIVSA-N	1	0	334.401	3.081	40	5		EGBBRO
CCCC[N@@+]1(C)[C@@H]2CC[C@H]1C[C@@H](OC(=O)[C@@H](CO)c1ccccc1)C2	ZINC000252463204	455805543	/nfs/dbraw/zinc/80/55/43/455805543.db2.gz	ZPLFTMSGAJIVDZ-GXQSQTKBSA-N	1	0	346.491	3.246	40	5	biogenic	EGBBRO
CCCC[N@+]1(C)[C@@H]2CC[C@H]1C[C@@H](OC(=O)[C@@H](CO)c1ccccc1)C2	ZINC000252463205	455805723	/nfs/dbraw/zinc/80/57/23/455805723.db2.gz	ZPLFTMSGAJIVDZ-MOFJNDHNSA-N	1	0	346.491	3.246	40	5	biogenic	EGBBRO
c1ccc2c(c1)snc2[C@@H]1CCC[C@H]2C[N+]3(C[C@H]21)CCNCC3	ZINC000604940888	460501107	/nfs/dbraw/zinc/50/11/07/460501107.db2.gz	UZMMOJGUSCDUKU-ZMSDIMECSA-N	1	0	328.505	3.230	40	5		EGBBRO
CC(C)C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)c1ccc([N+](=O)[O-])cc1)C2	ZINC000004886590	210311151	/nfs/dbraw/zinc/31/11/51/210311151.db2.gz	BULQCQRPRWSBNM-ZNXRZULTSA-N	1	0	345.443	3.366	40	5		EGBBRO
O=C(NCCC[NH+]1CCCCCC1)c1cc([N+](=O)[O-])ccc1Cl	ZINC000013668501	453478965	/nfs/dbraw/zinc/47/89/65/453478965.db2.gz	PRZMUBMAGHVURW-UHFFFAOYSA-N	1	0	339.823	3.244	40	5		EGBBRO
O=[N+]([O-])c1ccc(C[N@H+](C[C@@H]2CCCO2)[C@H]2CCSC2)cc1F	ZINC000253392386	455836727	/nfs/dbraw/zinc/83/67/27/455836727.db2.gz	QDYXYKOKZXEUAE-KBPBESRZSA-N	1	0	340.420	3.220	40	5		EGBBRO
CNC(=O)C(C[C@@H](C)[N+](C)(C)C)(c1ccccc1)c1ccccc1	ZINC000001648464	290347344	/nfs/dbraw/zinc/34/73/44/290347344.db2.gz	XLGNWAPOCABMPK-QGZVFWFLSA-O	1	0	325.476	3.204	40	5		EGBBRO
CN(CCC[N+](C)(C)C)C(=O)C(c1ccccc1)c1ccccc1	ZINC000001726484	452676754	/nfs/dbraw/zinc/67/67/54/452676754.db2.gz	ALCKJDNXANCFJW-UHFFFAOYSA-N	1	0	325.476	3.373	40	5		EGBBRO
[NH3+]CCn1c(=O)c2ccc3sc4ccccc4c4ccc(c1=O)c2c34	ZINC000075271276	453874571	/nfs/dbraw/zinc/87/45/71/453874571.db2.gz	PWJZUHRBPZXYII-UHFFFAOYSA-N	1	0	346.411	3.279	40	5		EGBBRO
C[N@+]12CCCC[C@H]1[C@H](CCOC(=O)c1ccc3c(c1)OCO3)CCC2	ZINC000245232050	455280999	/nfs/dbraw/zinc/28/09/99/455280999.db2.gz	OLCWHQXGGWAZGC-HZUJVAHNSA-N	1	0	346.447	3.371	40	5		EGBBRO
O=[N+]([O-])c1ccccc1CN1CC[NH+](CCCc2ccccc2)CC1	ZINC000002734014	452719351	/nfs/dbraw/zinc/71/93/51/452719351.db2.gz	OHNOHMHIYPEBRZ-UHFFFAOYSA-N	1	0	339.439	3.345	40	5		EGBBRO
O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000038853844	213228795	/nfs/dbraw/zinc/22/87/95/213228795.db2.gz	JPRXLQCMXSWMOO-MRXNPFEDSA-N	1	0	339.395	3.446	40	5		EGBBRO
C[S@@](=O)c1ccc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1	ZINC000193015661	280179026	/nfs/dbraw/zinc/17/90/26/280179026.db2.gz	CBBPGHDXBXFZDX-MHECFPHRSA-N	1	0	344.436	3.499	40	5		EGBBRO
COc1cccc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2Cl)c1	ZINC000008494677	453209075	/nfs/dbraw/zinc/20/90/75/453209075.db2.gz	MDTKNQZXXWBSNR-UHFFFAOYSA-N	1	0	335.791	3.459	40	5		EGBBRO
Cc1ccc(NCC[NH+](C)C)c2c(=O)c3ccc(O)cc3sc12	ZINC000100822836	454467813	/nfs/dbraw/zinc/46/78/13/454467813.db2.gz	BWAMCQAPFNUITP-UHFFFAOYSA-N	1	0	328.437	3.402	40	5		EGBBRO
O=C([C@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1)N1CCCCCC1	ZINC000054992201	214263143	/nfs/dbraw/zinc/26/31/43/214263143.db2.gz	NBSQRBPEUUUBIU-KRWDZBQOSA-N	1	0	345.443	3.209	40	5		EGBBRO
O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(C[NH+]2CCCC2)cc1	ZINC000010313870	211162929	/nfs/dbraw/zinc/16/29/29/211162929.db2.gz	FUMDPNATAQSKNH-UHFFFAOYSA-N	1	0	325.368	3.443	40	5		EGBBRO
COc1cccc([C@@H](O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)c1	ZINC000095422274	454208228	/nfs/dbraw/zinc/20/82/28/454208228.db2.gz	GIVJNYQWINWXJA-UGSOOPFHSA-N	1	0	330.384	3.296	40	5		EGBBRO
O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC(OC3CCCCC3)CC2)c1	ZINC000096483413	454365178	/nfs/dbraw/zinc/36/51/78/454365178.db2.gz	MIKYGZVTHHPOLW-LJQANCHMSA-N	1	0	348.443	3.442	40	5		EGBBRO
Cc1ccc(NCC[NH+](C)C)c2c(=O)c3c(O)cccc3sc12	ZINC000100824579	454467935	/nfs/dbraw/zinc/46/79/35/454467935.db2.gz	HCIMAMJSIOPRMK-UHFFFAOYSA-N	1	0	328.437	3.402	40	5		EGBBRO
O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3ccc(CO)cc3)CC2)cc1	ZINC000182816171	455170570	/nfs/dbraw/zinc/17/05/70/455170570.db2.gz	JMSRMJWHMQIHIT-UHFFFAOYSA-N	1	0	342.395	3.131	40	5		EGBBRO
O=C(NCCC[NH+]1CCCCCC1)c1ccc([N+](=O)[O-])cc1Cl	ZINC000010111110	211148764	/nfs/dbraw/zinc/14/87/64/211148764.db2.gz	RNZDBKKNTLJBHJ-UHFFFAOYSA-N	1	0	339.823	3.244	40	5		EGBBRO
CC(C)NC(=O)[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1	ZINC000110687684	454851353	/nfs/dbraw/zinc/85/13/53/454851353.db2.gz	YJAAKDHUPBRMFU-FVQBIDKESA-N	1	0	333.432	3.329	40	5		EGBBRO
O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CC23CC4CC(CC(C4)C2)C3)cc1	ZINC000606422326	460666666	/nfs/dbraw/zinc/66/66/66/460666666.db2.gz	LQJUEQPDGKRFSU-ZSWVUIPGSA-N	1	0	330.428	3.434	40	5		EGBBRO
CC(C)(C)[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCC[C@@H]1O	ZINC000606428352	460668708	/nfs/dbraw/zinc/66/87/08/460668708.db2.gz	UQNAGARWZLYOMC-ULQDDVLXSA-N	1	0	336.432	3.032	40	5		EGBBRO
COc1ccc(NCC[NH+](C)C)c2c(=O)c3ccccc3sc12	ZINC000005390210	452867273	/nfs/dbraw/zinc/86/72/73/452867273.db2.gz	PNIQQAUMVVWRQV-UHFFFAOYSA-N	1	0	328.437	3.397	40	5		EGBBRO
CC[N+](C)(CC)CCNC(=O)C(c1ccccc1)c1ccccc1	ZINC000001726485	209788359	/nfs/dbraw/zinc/78/83/59/209788359.db2.gz	FGSJGMSJWDJONE-UHFFFAOYSA-O	1	0	325.476	3.421	40	5		EGBBRO
C[C@@H]1CC[C@H]2[C@@H](C[N+]3(C)CCCCC3)C(=O)O[C@@]23[C@@H]2O[C@]2(C)CC[C@H]13	ZINC000017207236	453630935	/nfs/dbraw/zinc/63/09/35/453630935.db2.gz	ZLIBDEPCMWOFBR-XBWRGPFISA-N	1	0	348.507	3.142	40	5		EGBBRO
O=C(CC[N@@H+]1CCc2sccc2C1)Nc1ccc([N+](=O)[O-])cc1	ZINC000026343767	453797210	/nfs/dbraw/zinc/79/72/10/453797210.db2.gz	DFLVSDHDSTUFOP-UHFFFAOYSA-N	1	0	331.397	3.043	40	5		EGBBRO
O=C(NCc1ccccc1C[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1	ZINC000021639679	202067150	/nfs/dbraw/zinc/06/71/50/202067150.db2.gz	SHKDHVJOKDATEF-UHFFFAOYSA-N	1	0	339.395	3.121	40	5		EGBBRO
CCC[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)c1cccc([N+](=O)[O-])c1)C2	ZINC000004887233	452823159	/nfs/dbraw/zinc/82/31/59/452823159.db2.gz	HICUZMVGUXLIAN-MQVJKMGUSA-N	1	0	331.416	3.120	40	5		EGBBRO
CC(C)(C)[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCC[C@H]1O	ZINC000606428350	460668592	/nfs/dbraw/zinc/66/85/92/460668592.db2.gz	UQNAGARWZLYOMC-BBWFWOEESA-N	1	0	336.432	3.032	40	5		EGBBRO
C[S@](=O)c1ccc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1	ZINC000193015674	280180249	/nfs/dbraw/zinc/18/02/49/280180249.db2.gz	CBBPGHDXBXFZDX-UUOWRZLLSA-N	1	0	344.436	3.499	40	5		EGBBRO
CCCC[N+]1(C)CC[C@]23C=C[C@H](O)C[C@@H]2Oc2c3c(ccc2OC)C1	ZINC000005554709	452882921	/nfs/dbraw/zinc/88/29/21/452882921.db2.gz	JZDSVQZNQHDBEN-SPRYDSOMSA-N	1	0	344.475	3.165	40	5		EGBBRO
Cc1ncc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)[C@H](C)C2)s1	ZINC000096419455	454335779	/nfs/dbraw/zinc/33/57/79/454335779.db2.gz	HFODHZFGVXQKRT-IAQYHMDHSA-N	1	0	347.444	3.077	40	5		EGBBRO
Cc1nn(C)c(NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1[N+](=O)[O-]	ZINC000078338378	202390084	/nfs/dbraw/zinc/39/00/84/202390084.db2.gz	MUWUIWXFWSOZRB-WFASDCNBSA-N	1	0	349.460	3.193	40	5		EGBBRO
COc1ccccc1C[NH2+]CCNc1ccc([N+](=O)[O-])cc1Cl	ZINC000008496019	257862871	/nfs/dbraw/zinc/86/28/71/257862871.db2.gz	JSYUPFKQTPTQIO-UHFFFAOYSA-N	1	0	335.791	3.459	40	5		EGBBRO
Cc1ccc(NCC[NH+](C)C)c2c(=O)c3cc(O)ccc3sc12	ZINC000005390397	274754054	/nfs/dbraw/zinc/75/40/54/274754054.db2.gz	IJIQUDQBKAXAML-UHFFFAOYSA-N	1	0	328.437	3.402	40	5		EGBBRO
CC[N+](C)(CC)CCOC(=O)[C@@H](c1ccccc1)[C@@H](O)C1CCCC1	ZINC000001593608	288492145	/nfs/dbraw/zinc/49/21/45/288492145.db2.gz	PKYZTSVPDQJLCD-PMACEKPBSA-N	1	0	348.507	3.351	40	5		EGBBRO
Cc1cc(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)ccc1[N+](=O)[O-]	ZINC000013669782	453478889	/nfs/dbraw/zinc/47/88/89/453478889.db2.gz	TWPLTULECLJYJV-ZIAGYGMSSA-N	1	0	333.432	3.001	40	5		EGBBRO
Cc1ncsc1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1	ZINC000130742162	205255422	/nfs/dbraw/zinc/25/54/22/205255422.db2.gz	VYHIXBDUOIDVIT-UHFFFAOYSA-N	1	0	333.413	3.403	40	5		EGBBRO
CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1	ZINC000095422584	275655741	/nfs/dbraw/zinc/65/57/41/275655741.db2.gz	YJAAKDHUPBRMFU-IMJJTQAJSA-N	1	0	333.432	3.329	40	5		EGBBRO
CCc1[nH+]c(N)nc(N)c1-c1ccc(Cc2ccccc2)c([N+](=O)[O-])c1	ZINC000001591456	276688420	/nfs/dbraw/zinc/68/84/20/276688420.db2.gz	AGEVNTXDTUYAHG-UHFFFAOYSA-N	1	0	349.394	3.369	40	5		EGBBRO
CC[NH+](CC)CCNc1ccc(CO)c2oc3ccccc3c(=O)c12	ZINC000005010727	452832562	/nfs/dbraw/zinc/83/25/62/452832562.db2.gz	FKEBOYZZRAPIFN-UHFFFAOYSA-N	1	0	340.423	3.192	40	5		EGBBRO
COc1ccc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2Cl)cc1	ZINC000008474626	453207226	/nfs/dbraw/zinc/20/72/26/453207226.db2.gz	XECZENDJTLVNFF-UHFFFAOYSA-N	1	0	335.791	3.459	40	5		EGBBRO
Cc1ccc(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1[N+](=O)[O-]	ZINC000013647233	453478848	/nfs/dbraw/zinc/47/88/48/453478848.db2.gz	RTVPDWPBLQVTMV-KBPBESRZSA-N	1	0	333.432	3.001	40	5		EGBBRO
C[NH+](C)C[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1	ZINC000024237689	453729081	/nfs/dbraw/zinc/72/90/81/453729081.db2.gz	DTGKXABLKOBVTF-MRXNPFEDSA-N	1	0	328.372	3.019	40	5		EGBBRO
CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1	ZINC000139423572	454806463	/nfs/dbraw/zinc/80/64/63/454806463.db2.gz	GZQGMLHQXUNWEI-LBPRGKRZSA-N	1	0	339.823	3.052	40	5		EGBBRO
Cc1ncc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)[C@@H](C)C2)s1	ZINC000110613691	454849681	/nfs/dbraw/zinc/84/96/81/454849681.db2.gz	HFODHZFGVXQKRT-NHYWBVRUSA-N	1	0	347.444	3.077	40	5		EGBBRO
COc1ccc(C(=O)OC[C@@H]2CCC[N@+]3(C)CCCC[C@@H]23)cc1OC	ZINC000245231348	455281063	/nfs/dbraw/zinc/28/10/63/455281063.db2.gz	BYQBQROBDPKWJI-FIKGOQFSSA-N	1	0	348.463	3.270	40	5		EGBBRO
C[N+]12CCCC[C@@H]1[C@H](CCOC(=O)c1ccc3c(c1)OCO3)CCC2	ZINC000000343975	525357453	/nfs/dbraw/zinc/35/74/53/525357453.db2.gz	OLCWHQXGGWAZGC-ONDKPXHOSA-N	1	0	346.447	3.371	40	5		EGBBRO
O=[N+]([O-])c1ccn(C2CC[NH+](CCSC3CCCCC3)CC2)n1	ZINC000225724002	242004019	/nfs/dbraw/zinc/00/40/19/242004019.db2.gz	LRCJJZAVYKVBES-UHFFFAOYSA-N	1	0	338.477	3.494	40	5		EGBBRO
CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000013613333	453474023	/nfs/dbraw/zinc/47/40/23/453474023.db2.gz	NWUXOBRHOXLZAW-INIZCTEOSA-N	1	0	333.432	3.288	40	5		EGBBRO
C[NH+](C)[C@@H](CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccsc1	ZINC000025810630	453787114	/nfs/dbraw/zinc/78/71/14/453787114.db2.gz	WPUDLXIGMKQMFF-MOEXGYKKSA-N	1	0	345.424	3.089	40	5		EGBBRO
O=C(OCc1ccccc1)[N+]12CCC(Br)(CC1)CC2	ZINC000068604058	454040186	/nfs/dbraw/zinc/04/01/86/454040186.db2.gz	YZMAZPSMWQPJDB-UHFFFAOYSA-N	1	0	325.226	3.471	40	5		EGBBRO
COc1cc([C@H](O)C[N+](C)(C)C)c(/C=C/c2ccccc2)cc1O	ZINC000003847348	201582238	/nfs/dbraw/zinc/58/22/38/201582238.db2.gz	WYUUGMHVWARONQ-GNISGLHKSA-O	1	0	328.432	3.311	40	5		EGBBRO
Cc1c2cc3c(cc2cc2c4cc5c(cc4cc[n+]12)OCO5)OCO3	ZINC000001583142	452670074	/nfs/dbraw/zinc/67/00/74/452670074.db2.gz	WANWYHIKZSSPFP-UHFFFAOYSA-N	1	0	332.335	3.498	40	5		EGBBRO
CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])c(C)c1	ZINC000013613107	453473800	/nfs/dbraw/zinc/47/38/00/453473800.db2.gz	LPENVGGVIXTYFL-MRXNPFEDSA-N	1	0	333.432	3.288	40	5		EGBBRO
C[N+]1(C[C@@H](O)COCC(c2ccccc2)c2ccccc2)CCCC1	ZINC000041690124	453976171	/nfs/dbraw/zinc/97/61/71/453976171.db2.gz	CAUMSMXNIFCRBC-OAQYLSRUSA-N	1	0	340.487	3.436	40	5		EGBBRO
CN(C)C(=O)C(CC[N+](C)(C)C)(c1ccccc1)c1ccccc1	ZINC000001655398	288930274	/nfs/dbraw/zinc/93/02/74/288930274.db2.gz	MWOWYLJVYBAUIX-UHFFFAOYSA-N	1	0	325.476	3.157	40	5		EGBBRO
Cc1ccc(NCC[NH+](C)C)c2c(=O)c3cccc(O)c3sc12	ZINC000005390349	452867344	/nfs/dbraw/zinc/86/73/44/452867344.db2.gz	DJUBUYKROHOSEO-UHFFFAOYSA-N	1	0	328.437	3.402	40	5		EGBBRO
CCOc1ccc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2)cc1OC	ZINC000006870531	453000048	/nfs/dbraw/zinc/00/00/48/453000048.db2.gz	CSNBOTVXZUVLHN-UHFFFAOYSA-N	1	0	345.399	3.204	40	5		EGBBRO
CC1CC[NH+](CCCNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1	ZINC000007924921	453133142	/nfs/dbraw/zinc/13/31/42/453133142.db2.gz	YENRXUAPRFHRBQ-UHFFFAOYSA-N	1	0	339.823	3.100	40	5		EGBBRO
CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])c(C)c1	ZINC000013613110	453474836	/nfs/dbraw/zinc/47/48/36/453474836.db2.gz	LPENVGGVIXTYFL-INIZCTEOSA-N	1	0	333.432	3.288	40	5		EGBBRO
Cc1cc([N+](=O)[O-])cc2nc(-c3cc(Br)c[n+](C)c3)oc21	ZINC000226778169	456112578	/nfs/dbraw/zinc/11/25/78/456112578.db2.gz	CPIIAVHHRGHOQS-UHFFFAOYSA-N	1	0	349.164	3.298	40	5		EGBBRO
c1ccc2c(c1)snc2[C@H]1CCC[C@H]2C[N+]3(C[C@H]21)CCNCC3	ZINC000604940887	460501365	/nfs/dbraw/zinc/50/13/65/460501365.db2.gz	UZMMOJGUSCDUKU-YQQAZPJKSA-N	1	0	328.505	3.230	40	5		EGBBRO
Cc1c(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cccc1[N+](=O)[O-]	ZINC000013673328	211603282	/nfs/dbraw/zinc/60/32/82/211603282.db2.gz	LTEWBUIEOUTQOY-KBPBESRZSA-N	1	0	333.432	3.001	40	5		EGBBRO
O=[N+]([O-])c1ccc(OC2CC[NH+](CCc3ccccn3)CC2)cc1	ZINC000174249159	231159545	/nfs/dbraw/zinc/15/95/45/231159545.db2.gz	GLJJDRPJRAFLHV-UHFFFAOYSA-N	1	0	327.384	3.076	40	5		EGBBRO
Cc1ccc(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1[N+](=O)[O-]	ZINC000040095675	213263792	/nfs/dbraw/zinc/26/37/92/213263792.db2.gz	MXKJMESFGHMOEL-UHFFFAOYSA-N	1	0	334.420	3.334	40	5		EGBBRO
O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1	ZINC000008011578	453147923	/nfs/dbraw/zinc/14/79/23/453147923.db2.gz	WMZAZTRGPJQING-UHFFFAOYSA-N	1	0	339.395	3.121	40	5		EGBBRO
Cc1cc(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-]	ZINC000013669784	257912129	/nfs/dbraw/zinc/91/21/29/257912129.db2.gz	TWPLTULECLJYJV-OKILXGFUSA-N	1	0	333.432	3.001	40	5		EGBBRO
COc1ccc2cc3c4cc5c(cc4cc[n+]3cc2c1OC)OCO5	ZINC000001596116	274141340	/nfs/dbraw/zinc/14/13/40/274141340.db2.gz	MCEWCIREWDZENW-UHFFFAOYSA-N	1	0	334.351	3.478	40	5		EGBBRO
COc1ccc(C(=O)OC[C@@H]2CCC[N+]3(C)CCCC[C@H]23)cc1OC	ZINC000000343971	452568521	/nfs/dbraw/zinc/56/85/21/452568521.db2.gz	BYQBQROBDPKWJI-NXRUOVBSSA-N	1	0	348.463	3.270	40	5		EGBBRO
Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](Cc1ccco1)C1CC1	ZINC000058138019	454164883	/nfs/dbraw/zinc/16/48/83/454164883.db2.gz	ZQJLBFJYFDCJPP-UHFFFAOYSA-N	1	0	343.383	3.489	40	5		EGBBRO
O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1cccc([N+](=O)[O-])c1	ZINC000046374478	454246529	/nfs/dbraw/zinc/24/65/29/454246529.db2.gz	OMPYAXOPHKFENG-UHFFFAOYSA-N	1	0	339.395	3.121	40	5		EGBBRO
C[S@@](=O)c1ccc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1	ZINC000193015626	455734798	/nfs/dbraw/zinc/73/47/98/455734798.db2.gz	CBBPGHDXBXFZDX-HOYKHHGWSA-N	1	0	344.436	3.499	40	5		EGBBRO
O=[N+]([O-])c1ccc(C[N@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)cc1F	ZINC000253392387	455837262	/nfs/dbraw/zinc/83/72/62/455837262.db2.gz	QDYXYKOKZXEUAE-KGLIPLIRSA-N	1	0	340.420	3.220	40	5		EGBBRO
Cc1ncc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)[C@@H](C)C2)s1	ZINC000195530707	455980925	/nfs/dbraw/zinc/98/09/25/455980925.db2.gz	HFODHZFGVXQKRT-XHDPSFHLSA-N	1	0	347.444	3.077	40	5		EGBBRO
O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1[N+](=O)[O-]	ZINC000000514855	452610138	/nfs/dbraw/zinc/61/01/38/452610138.db2.gz	SQZSWFAHYJVJEE-UHFFFAOYSA-N	1	0	325.368	3.443	40	5		EGBBRO
Cc1c(NC(=O)CC[N@H+](Cc2ccco2)C2CC2)cccc1[N+](=O)[O-]	ZINC000058171172	454168052	/nfs/dbraw/zinc/16/80/52/454168052.db2.gz	FHAXICYTWCPMBK-UHFFFAOYSA-N	1	0	343.383	3.489	40	5		EGBBRO
CC(C)n1c(Sc2ccccc2[N+](=O)[O-])nnc1C1CC[NH2+]CC1	ZINC000096410275	454328539	/nfs/dbraw/zinc/32/85/39/454328539.db2.gz	SCCDWHDYLXCWLC-UHFFFAOYSA-N	1	0	347.444	3.385	40	5		EGBBRO
C[S@](=O)c1ccc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1	ZINC000193015643	455734607	/nfs/dbraw/zinc/73/46/07/455734607.db2.gz	CBBPGHDXBXFZDX-KOSHJBKYSA-N	1	0	344.436	3.499	40	5		EGBBRO
Cc1ccc(NC(=O)C[N@@H+](C)[C@H]2CCc3ccccc32)cc1[N+](=O)[O-]	ZINC000029483390	453829129	/nfs/dbraw/zinc/82/91/29/453829129.db2.gz	NSLZWHZCNWJSSC-KRWDZBQOSA-N	1	0	339.395	3.461	40	5		EGBBRO
COc1cccc([C@H](O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)c1	ZINC000095422276	454208196	/nfs/dbraw/zinc/20/81/96/454208196.db2.gz	GIVJNYQWINWXJA-SCLBCKFNSA-N	1	0	330.384	3.296	40	5		EGBBRO
C[N@+]12CCCC[C@H]1[C@@H](CCOC(=O)c1ccc3c(c1)OCO3)CCC2	ZINC000245232051	455281168	/nfs/dbraw/zinc/28/11/68/455281168.db2.gz	OLCWHQXGGWAZGC-LDBYXDLTSA-N	1	0	346.447	3.371	40	5		EGBBRO
O=C([C@@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1)N1CCCCCC1	ZINC000054992204	214263607	/nfs/dbraw/zinc/26/36/07/214263607.db2.gz	NBSQRBPEUUUBIU-QGZVFWFLSA-N	1	0	345.443	3.209	40	5		EGBBRO
CC1CC[NH+](CCCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1	ZINC000013670913	453480578	/nfs/dbraw/zinc/48/05/78/453480578.db2.gz	KBORXDFZICKQRZ-UHFFFAOYSA-N	1	0	339.823	3.100	40	5		EGBBRO
C[N@H+](CC(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1CCc2ccccc21	ZINC000029483338	453829119	/nfs/dbraw/zinc/82/91/19/453829119.db2.gz	QZVMQWSYWNLIBP-KRWDZBQOSA-N	1	0	325.368	3.153	40	5		EGBBRO
CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1ccco1	ZINC000058140303	454165023	/nfs/dbraw/zinc/16/50/23/454165023.db2.gz	HADYGIVSHDFUKF-UHFFFAOYSA-N	1	0	331.372	3.347	40	5		EGBBRO
C[N+]12CCCC[C@H]1[C@H](CCOC(=O)c1ccc3c(c1)OCO3)CCC2	ZINC000004610443	210232183	/nfs/dbraw/zinc/23/21/83/210232183.db2.gz	OLCWHQXGGWAZGC-PHIGLHEMSA-N	1	0	346.447	3.371	40	5		EGBBRO
Cc1ccc(NC(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1[N+](=O)[O-]	ZINC000043148535	454045610	/nfs/dbraw/zinc/04/56/10/454045610.db2.gz	PYRGSKXHUZHPBO-CQSZACIVSA-N	1	0	348.428	3.389	40	5		EGBBRO
Cc1c([C@@H](C)[NH2+][C@@H]2CCN(C(=O)C3CCCC3)C2)cccc1[N+](=O)[O-]	ZINC000096479359	454363766	/nfs/dbraw/zinc/36/37/66/454363766.db2.gz	BWOYKEZQYGECHB-GDBMZVCRSA-N	1	0	345.443	3.345	40	5		EGBBRO
Cc1ncc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)[C@H](C)C2)s1	ZINC000096419454	454335325	/nfs/dbraw/zinc/33/53/25/454335325.db2.gz	HFODHZFGVXQKRT-ABAIWWIYSA-N	1	0	347.444	3.077	40	5		EGBBRO
Cc1ccccc1C[NH+]1CCN(Cc2csc([N+](=O)[O-])c2)CC1	ZINC000047264959	454348975	/nfs/dbraw/zinc/34/89/75/454348975.db2.gz	AZPINTBXWKWWPD-UHFFFAOYSA-N	1	0	331.441	3.283	40	5		EGBBRO
O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CC23CC4CC(CC(C4)C2)C3)cc1	ZINC000606422322	460667133	/nfs/dbraw/zinc/66/71/33/460667133.db2.gz	LQJUEQPDGKRFSU-DKENDCILSA-N	1	0	330.428	3.434	40	5		EGBBRO
O=[N+]([O-])c1ccc(C[N@H+](C[C@H]2CCCO2)[C@H]2CCSC2)cc1F	ZINC000253392388	455837028	/nfs/dbraw/zinc/83/70/28/455837028.db2.gz	QDYXYKOKZXEUAE-UONOGXRCSA-N	1	0	340.420	3.220	40	5		EGBBRO
COc1cc(OC)cc(C(=O)OC[C@@H]2CCC[N+]3(C)CCCC[C@H]23)c1	ZINC000004028399	210103599	/nfs/dbraw/zinc/10/35/99/210103599.db2.gz	ITEJUBDFZZCTNJ-LDQVWUCLSA-N	1	0	348.463	3.270	40	5		EGBBRO
CC(C)NC(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1	ZINC000095422586	275655764	/nfs/dbraw/zinc/65/57/64/275655764.db2.gz	YJAAKDHUPBRMFU-NUEKZKHPSA-N	1	0	333.432	3.329	40	5		EGBBRO
CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1	ZINC000139423688	454806589	/nfs/dbraw/zinc/80/65/89/454806589.db2.gz	GZQGMLHQXUNWEI-GFCCVEGCSA-N	1	0	339.823	3.052	40	5		EGBBRO
C[N+]1(C[C@H](O)COCC(c2ccccc2)c2ccccc2)CCCC1	ZINC000041690120	213463081	/nfs/dbraw/zinc/46/30/81/213463081.db2.gz	CAUMSMXNIFCRBC-NRFANRHFSA-N	1	0	340.487	3.436	40	5		EGBBRO
COC(=O)c1ccc(C[N+]2(C)CCc3[nH]c4ccccc4c3C2)o1	ZINC000000490868	452608087	/nfs/dbraw/zinc/60/80/87/452608087.db2.gz	KXPRPFULQJABTC-UHFFFAOYSA-N	1	0	325.388	3.250	40	5		EGBBRO
CC(C)[N+](C)(C)CCC(C(N)=O)(c1ccccc1)c1ccccc1	ZINC000001718667	452674341	/nfs/dbraw/zinc/67/43/41/452674341.db2.gz	BJALDQYFTXIRGT-UHFFFAOYSA-O	1	0	325.476	3.333	40	5		EGBBRO
Cc1ccc(NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1[N+](=O)[O-]	ZINC000043148533	454045252	/nfs/dbraw/zinc/04/52/52/454045252.db2.gz	PYRGSKXHUZHPBO-AWEZNQCLSA-N	1	0	348.428	3.389	40	5		EGBBRO
C[NH+](C)CCCNc1ccc(O)c2sc3ccccc3c(=O)c12	ZINC000005390213	210455421	/nfs/dbraw/zinc/45/54/21/210455421.db2.gz	CHCPACVNUIFLTR-UHFFFAOYSA-N	1	0	328.437	3.484	40	5		EGBBRO
CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cccc([N+](=O)[O-])c1C	ZINC000010543023	211180763	/nfs/dbraw/zinc/18/07/63/211180763.db2.gz	LHGAOXUXJLOXCT-OAHLLOKOSA-N	1	0	333.432	3.288	40	5		EGBBRO
CC[N+](C)(CC)CCn1c(=O)c2ccccc2n1Cc1ccccc1	ZINC000005477019	452876764	/nfs/dbraw/zinc/87/67/64/452876764.db2.gz	QVKPGNDMIRQSSE-UHFFFAOYSA-N	1	0	338.475	3.338	40	5		EGBBRO
CCOc1c(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2)cccc1OC	ZINC000006870204	452999597	/nfs/dbraw/zinc/99/95/97/452999597.db2.gz	CEUYWKATRIINDM-UHFFFAOYSA-N	1	0	345.399	3.204	40	5		EGBBRO
Cc1cc(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-]	ZINC000013669785	453480089	/nfs/dbraw/zinc/48/00/89/453480089.db2.gz	TWPLTULECLJYJV-KBPBESRZSA-N	1	0	333.432	3.001	40	5		EGBBRO
Cc1ncc(C[N@@H+]2CC[C@@H](Nc3ncccc3[N+](=O)[O-])[C@H](C)C2)s1	ZINC000096419451	454335916	/nfs/dbraw/zinc/33/59/16/454335916.db2.gz	BYGYOTMXIRAUOE-BXUZGUMPSA-N	1	0	347.444	3.077	40	5		EGBBRO
C[N@H+](CCCc1ccccc1)CC(=O)Nc1ccccc1[N+](=O)[O-]	ZINC000048356063	454477906	/nfs/dbraw/zinc/47/79/06/454477906.db2.gz	XHGKDYYGCDPRMI-UHFFFAOYSA-N	1	0	327.384	3.098	40	5		EGBBRO
Cc1nn(C)c(NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1[N+](=O)[O-]	ZINC000110627422	454849270	/nfs/dbraw/zinc/84/92/70/454849270.db2.gz	MUWUIWXFWSOZRB-IUODEOHRSA-N	1	0	349.460	3.193	40	5		EGBBRO
Cc1nn(C)c(NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1[N+](=O)[O-]	ZINC000110627426	454849618	/nfs/dbraw/zinc/84/96/18/454849618.db2.gz	MUWUIWXFWSOZRB-SWLSCSKDSA-N	1	0	349.460	3.193	40	5		EGBBRO
O=C(O[C@H](C[n+]1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1	ZINC000006581837	452957434	/nfs/dbraw/zinc/95/74/34/452957434.db2.gz	JSYLIBFRMVURAS-LJQANCHMSA-N	1	0	349.366	3.481	40	5		EGBBRO
CC1CC[NH+](CCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1	ZINC000007924933	453133977	/nfs/dbraw/zinc/13/39/77/453133977.db2.gz	BKHIOAXEYYXRRH-UHFFFAOYSA-N	1	0	339.823	3.100	40	5		EGBBRO
CC(C)(C)[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[C@H]1O	ZINC000606428353	460668069	/nfs/dbraw/zinc/66/80/69/460668069.db2.gz	UQNAGARWZLYOMC-ZACQAIPSSA-N	1	0	336.432	3.032	40	5		EGBBRO
Cc1cccc(OCC(=O)OC[C@@H]2CCC[N@@+]3(C)CCCC[C@H]23)c1	ZINC000252461206	455805711	/nfs/dbraw/zinc/80/57/11/455805711.db2.gz	LGLFLWYTGMHRCZ-FBBABVLZSA-N	1	0	332.464	3.326	40	5	biogenic	EGBBRO
COc1cc2c(cc1OC)C[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC2	ZINC000022006229	212269424	/nfs/dbraw/zinc/26/94/24/212269424.db2.gz	APCRFYGXPUAKFD-UHFFFAOYSA-N	1	0	342.395	3.213	40	5	in-vitro	EGBBRO
CC[n+]1cc(Br)cc(-c2nc3ccc([N+](=O)[O-])cc3o2)c1	ZINC000226777942	242114584	/nfs/dbraw/zinc/11/45/84/242114584.db2.gz	ZGMNIIUKXRVMIX-UHFFFAOYSA-N	1	0	349.164	3.473	40	5		EGBBRO
O=[N+]([O-])c1ccc(CC[N@@H+](Cc2cccnc2)C[C@@H]2CCCO2)cc1	ZINC000079350277	217212332	/nfs/dbraw/zinc/21/23/32/217212332.db2.gz	BTCPUFZZPYXPKN-IBGZPJMESA-N	1	0	341.411	3.214	40	5		EGBBRO
COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C1CCC(C)CC1	ZINC000041894297	453983907	/nfs/dbraw/zinc/98/39/07/453983907.db2.gz	WPOUTKYBHOLILL-UHFFFAOYSA-N	1	0	349.431	3.443	40	5		EGBBRO
CC[N+](C)(CC)CCOC(=O)[C@@](O)(c1cccs1)C1CCCC1	ZINC000002041344	452685612	/nfs/dbraw/zinc/68/56/12/452685612.db2.gz	NEMLPWNINZELKP-SFHVURJKSA-N	1	0	340.509	3.156	40	5	in-man	EGBBRO
Cc1c(C[NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)cccc1[N+](=O)[O-]	ZINC000096490851	454368791	/nfs/dbraw/zinc/36/87/91/454368791.db2.gz	FMXDVHCPBQDURV-CYBMUJFWSA-N	1	0	348.424	3.158	40	5		EGBBRO
COc1ccc(C(=O)OC[C@@H]2CCC[N@@+]3(C)CCCC[C@@H]23)cc1OC	ZINC000245231350	455281122	/nfs/dbraw/zinc/28/11/22/455281122.db2.gz	BYQBQROBDPKWJI-XGHQBKJUSA-N	1	0	348.463	3.270	40	5		EGBBRO
Cc1cccc(OCC(=O)OC[C@@H]2CCC[N+]3(C)CCCC[C@H]23)c1	ZINC000004073352	210113693	/nfs/dbraw/zinc/11/36/93/210113693.db2.gz	LGLFLWYTGMHRCZ-FOHCZPNYSA-N	1	0	332.464	3.326	40	5		EGBBRO
CC[N+](C)(CC)CCOC(=O)[C@H](c1ccccc1)[C@H](O)C1CCCC1	ZINC000001593607	452670131	/nfs/dbraw/zinc/67/01/31/452670131.db2.gz	PKYZTSVPDQJLCD-WOJBJXKFSA-N	1	0	348.507	3.351	40	5		EGBBRO
COc1cccc([C@H](O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)c1	ZINC000095422275	454208146	/nfs/dbraw/zinc/20/81/46/454208146.db2.gz	GIVJNYQWINWXJA-FZKQIMNGSA-N	1	0	330.384	3.296	40	5		EGBBRO
Cc1ncc(C[N@@H+]2CC[C@@H](Nc3ncccc3[N+](=O)[O-])[C@@H](C)C2)s1	ZINC000195530706	455980820	/nfs/dbraw/zinc/98/08/20/455980820.db2.gz	BYGYOTMXIRAUOE-SMDDNHRTSA-N	1	0	347.444	3.077	40	5		EGBBRO
CC(=O)c1cc(NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-]	ZINC000225822070	534823879	/nfs/dbraw/zinc/82/38/79/534823879.db2.gz	BPCBUZCNZFKFSL-KBPBESRZSA-N	1	0	349.431	3.099	40	5		EGBBRO
C[NH+](C)C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1	ZINC000024237695	282132500	/nfs/dbraw/zinc/13/25/00/282132500.db2.gz	DTGKXABLKOBVTF-INIZCTEOSA-N	1	0	328.372	3.019	40	5		EGBBRO
Cc1ccc(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-]	ZINC000013647230	453477888	/nfs/dbraw/zinc/47/78/88/453477888.db2.gz	RTVPDWPBLQVTMV-OKILXGFUSA-N	1	0	333.432	3.001	40	5		EGBBRO
C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCCc2ccccc21	ZINC000027360135	453815612	/nfs/dbraw/zinc/81/56/12/453815612.db2.gz	YZLRERUSZVLQOL-QGZVFWFLSA-N	1	0	339.395	3.203	40	5		EGBBRO
CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1	ZINC000110687677	454851405	/nfs/dbraw/zinc/85/14/05/454851405.db2.gz	YJAAKDHUPBRMFU-BMFZPTHFSA-N	1	0	333.432	3.329	40	5		EGBBRO
C[N@+]12CCCC[C@@H]1[C@H](CCOC(=O)c1ccc3c(c1)OCO3)CCC2	ZINC000245232052	455281237	/nfs/dbraw/zinc/28/12/37/455281237.db2.gz	OLCWHQXGGWAZGC-LUQKVYGDSA-N	1	0	346.447	3.371	40	5		EGBBRO
O=C(Nc1cccc([N+](=O)[O-])c1)C1CC[NH+](Cc2ccccc2)CC1	ZINC000039745740	213241887	/nfs/dbraw/zinc/24/18/87/213241887.db2.gz	VSUOFYKXFOVXTL-UHFFFAOYSA-N	1	0	339.395	3.446	40	5		EGBBRO
C[C@@H]1CC[C@H]2[C@H](C[N+]3(C)CCCCC3)C(=O)O[C@@]23[C@@H]2O[C@]2(C)CC[C@H]13	ZINC000009288210	296748583	/nfs/dbraw/zinc/74/85/83/296748583.db2.gz	ZLIBDEPCMWOFBR-HWPXFKOISA-N	1	0	348.507	3.142	40	5		EGBBRO
CNC(=O)C(C[C@H](C)[N+](C)(C)C)(c1ccccc1)c1ccccc1	ZINC000001648463	290347369	/nfs/dbraw/zinc/34/73/69/290347369.db2.gz	XLGNWAPOCABMPK-KRWDZBQOSA-O	1	0	325.476	3.204	40	5		EGBBRO
O=C(Nc1ccccc1)c1ccc[n+](Cc2ccc([N+](=O)[O-])cc2)c1	ZINC000000307878	452558151	/nfs/dbraw/zinc/55/81/51/452558151.db2.gz	QOWZFBCOGVNVCO-UHFFFAOYSA-O	1	0	334.355	3.183	40	5		EGBBRO
C[NH+](C)CCNC(=O)c1ccc(Cl)c2cc3ccccc3nc12	ZINC000005541369	452882752	/nfs/dbraw/zinc/88/27/52/452882752.db2.gz	JTASMCJGKOJUIT-UHFFFAOYSA-N	1	0	327.815	3.333	40	5		EGBBRO
O=C(Cn1ccc(=[NH+]Cc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1	ZINC000005683498	452893901	/nfs/dbraw/zinc/89/39/01/452893901.db2.gz	XFRURHSBNPUYEW-UHFFFAOYSA-N	1	0	347.374	3.380	40	5		EGBBRO
C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CCCc1ccccc1	ZINC000048364197	454480221	/nfs/dbraw/zinc/48/02/21/454480221.db2.gz	OMZBFEIBUMECPK-OAHLLOKOSA-N	1	0	341.411	3.486	40	5		EGBBRO
CC(=O)c1cc(NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-]	ZINC000225822053	534823047	/nfs/dbraw/zinc/82/30/47/534823047.db2.gz	BPCBUZCNZFKFSL-OKILXGFUSA-N	1	0	349.431	3.099	40	5		EGBBRO
C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CCCc1ccccc1	ZINC000048364194	454480128	/nfs/dbraw/zinc/48/01/28/454480128.db2.gz	OMZBFEIBUMECPK-HNNXBMFYSA-N	1	0	341.411	3.486	40	5		EGBBRO
CC(=O)c1cc(NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)ccc1[N+](=O)[O-]	ZINC000225822082	534823718	/nfs/dbraw/zinc/82/37/18/534823718.db2.gz	BPCBUZCNZFKFSL-ZIAGYGMSSA-N	1	0	349.431	3.099	40	5		EGBBRO
CC[n+]1cc(Br)cc(-c2nc3cc([N+](=O)[O-])ccc3o2)c1	ZINC000226778032	242114010	/nfs/dbraw/zinc/11/40/10/242114010.db2.gz	PIYXTRCUGZEFOD-UHFFFAOYSA-N	1	0	349.164	3.473	40	5		EGBBRO
O=[N+]([O-])c1ccc(CC[N@@H+](Cc2cccnc2)C[C@H]2CCCO2)cc1	ZINC000079350285	275035092	/nfs/dbraw/zinc/03/50/92/275035092.db2.gz	BTCPUFZZPYXPKN-LJQANCHMSA-N	1	0	341.411	3.214	40	5		EGBBRO
COc1ccc(C(=O)OC[C@@H]2CCC[N+]3(C)CCCC[C@@H]23)c(OC)c1	ZINC000000526337	452614618	/nfs/dbraw/zinc/61/46/18/452614618.db2.gz	NTAGDDRMEQJRBZ-QUYBDAQXSA-N	1	0	348.463	3.270	40	5		EGBBRO
O=[N+]([O-])c1ccc(CC[NH2+]Cc2cnc(-c3ccccc3)nc2)cc1	ZINC000078552905	217074025	/nfs/dbraw/zinc/07/40/25/217074025.db2.gz	HMUSXYZHPNFDHV-UHFFFAOYSA-N	1	0	334.379	3.384	40	5		EGBBRO
[NH3+]CCn1c2ccc(Br)cc2c2nc3ccccc3nc21	ZINC000004744643	452817134	/nfs/dbraw/zinc/81/71/34/452817134.db2.gz	PHZAJVRTPIBHHQ-UHFFFAOYSA-N	1	0	341.212	3.459	40	5		EGBBRO
Cc1cccc(OCC(=O)OC[C@H]2CCC[N+]3(C)CCCC[C@@H]23)c1	ZINC000005815510	452903106	/nfs/dbraw/zinc/90/31/06/452903106.db2.gz	LGLFLWYTGMHRCZ-VCPDFFEISA-N	1	0	332.464	3.326	40	5		EGBBRO