smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)C1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1	ZINC000004590858	204055435	/nfs/dbraw/zinc/05/54/35/204055435.db2.gz	GNXBMRFPDDEPJY-UHFFFAOYSA-N	1	0	379.413	2.207	50	5		GEBARO
O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N1CCC[N@H+](Cc2ccccc2)CC1	ZINC000022611057	204784655	/nfs/dbraw/zinc/78/46/55/204784655.db2.gz	ZSDDEBYWGHUJCI-UHFFFAOYSA-N	1	0	396.447	2.059	50	5		GEBARO
C[C@@H]1C[N@@H+](CCCNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[C@H](C)O1	ZINC000023509147	570325443	/nfs/dbraw/zinc/32/54/43/570325443.db2.gz	CEMMNFRSGYCDOH-OKILXGFUSA-N	1	0	376.457	2.398	50	5		GEBARO
CC(=O)O[C@H]1C[C@@H]2CC[N@+]3(C)Cc4cc5c(cc4[C@@H]([C@H]23)[C@@H]1OC(C)=O)OCO5	ZINC000252441147	570956367	/nfs/dbraw/zinc/95/63/67/570956367.db2.gz	IMBDORDSYLEEOF-IGDQAQJOSA-N	1	0	388.440	2.115	50	5		GEBARO
CCOc1ccc(Nc2nc(NCCC[NH+](C)C)nc(N)c2[N+](=O)[O-])cc1	ZINC000005163740	204116509	/nfs/dbraw/zinc/11/65/09/204116509.db2.gz	KYTNRCPXMRASKU-UHFFFAOYSA-N	1	0	375.433	2.473	50	5		GEBARO
COc1ccc(OC)c(Nc2nc(NCCC[NH+](C)C)nc(N)c2[N+](=O)[O-])c1	ZINC000009292371	204305975	/nfs/dbraw/zinc/30/59/75/204305975.db2.gz	MKYRQCVELNFPRS-UHFFFAOYSA-N	1	0	391.432	2.091	50	5		GEBARO
O=C1N=C([n+]2ccccc2)C(=CNNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])S1	ZINC000038191553	205035772	/nfs/dbraw/zinc/03/57/72/205035772.db2.gz	JXWLTCDOIYOQQR-UHFFFAOYSA-O	1	0	387.357	2.362	50	5		GEBARO
C[NH+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccccc1	ZINC000014887635	570249940	/nfs/dbraw/zinc/24/99/40/570249940.db2.gz	JXFGIJHHQYBCQN-HXUWFJFHSA-N	1	0	398.463	2.464	50	5		GEBARO
COc1cc2c(c(C[NH2+][C@H](CO)[C@@H](O)c3ccc([N+](=O)[O-])cc3)c1)O[C@H](C)C2	ZINC000106924102	570968495	/nfs/dbraw/zinc/96/84/95/570968495.db2.gz	SDCOPTUTJFXMHW-DPMMWBKBSA-N	1	0	388.420	2.111	50	5		GEBARO
[NH3+]CCNc1ccc([N+](=O)[O-])c(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1	ZINC000003963719	204022176	/nfs/dbraw/zinc/02/21/76/204022176.db2.gz	UUUDGYSOXSEQLK-UHFFFAOYSA-N	1	0	386.412	2.200	50	5		GEBARO
Cc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C	ZINC000023106670	205969838	/nfs/dbraw/zinc/96/98/38/205969838.db2.gz	WWWQWQCZWLDKEV-CQSZACIVSA-N	1	0	376.438	2.322	50	5		GEBARO
COc1cc(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c(OC)c1OC	ZINC000060555671	222060221	/nfs/dbraw/zinc/06/02/21/222060221.db2.gz	LQHHIJNJYFFVFP-QWHCGFSZSA-N	1	0	395.456	2.471	50	5		GEBARO
CCC[NH+]1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1	ZINC000007976278	534933120	/nfs/dbraw/zinc/93/31/20/534933120.db2.gz	ZQFQLILLAKYHJT-UHFFFAOYSA-N	1	0	384.502	2.157	50	5		GEBARO
CCOC(=O)[C@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1	ZINC000004551226	570863857	/nfs/dbraw/zinc/86/38/57/570863857.db2.gz	ZDGANMBRLDZAKY-ZDUSSCGKSA-N	1	0	379.413	2.207	50	5		GEBARO
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C	ZINC000023106676	570905278	/nfs/dbraw/zinc/90/52/78/570905278.db2.gz	OHKWVWYHCOUSOI-CQSZACIVSA-N	1	0	376.438	2.322	50	5		GEBARO
O=[N+]([O-])c1nn(-c2ccccc2)[n+]([O-])c1NC1CC[NH+](Cc2ccccc2)CC1	ZINC000004828382	204078878	/nfs/dbraw/zinc/07/88/78/204078878.db2.gz	KGWDIYMLQDNMQP-UHFFFAOYSA-N	1	0	394.435	2.490	50	5		GEBARO
C[NH+](C)CCCNC(=O)/C(=C\c1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000004471409	204045839	/nfs/dbraw/zinc/04/58/39/204045839.db2.gz	WBHFNDPDFYPRJC-XDJHFCHBSA-N	1	0	396.447	2.434	50	5		GEBARO
CC(C)NS(=O)(=O)c1ccc(NCC[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1	ZINC000036391341	204320997	/nfs/dbraw/zinc/32/09/97/204320997.db2.gz	DGPWUVRHBZKPGX-AWEZNQCLSA-N	1	0	384.502	2.425	50	5		GEBARO
CNS(=O)(=O)c1ccc(NC[C@@H](CC(C)C)[NH+]2CCCC2)c([N+](=O)[O-])c1	ZINC000012743028	204440827	/nfs/dbraw/zinc/44/08/27/204440827.db2.gz	JRVNKOGGSOLHQG-CQSZACIVSA-N	1	0	384.502	2.425	50	5		GEBARO
COc1c2c(cc3c1[C@H](CC(=O)[C@@]1(C)CCOC1=O)[N+](C)(C)CC3)OCO2	ZINC000001280275	205708565	/nfs/dbraw/zinc/70/85/65/205708565.db2.gz	HNTNLQJHNKDNPJ-RNODOKPDSA-N	1	0	376.429	2.010	50	5		GEBARO
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN(C)[C@H](C)c2cccc([N+](=O)[O-])c2)C1	ZINC000105888996	570933648	/nfs/dbraw/zinc/93/36/48/570933648.db2.gz	XNYRFGDCTPLLBA-APWZRJJASA-N	1	0	392.500	2.061	50	5		GEBARO
CC(=O)O[C@H]1C[C@@H]2CC[N@+]3(C)Cc4cc5c(cc4[C@@H]([C@@H]23)[C@@H]1OC(C)=O)OCO5	ZINC000252441149	570956409	/nfs/dbraw/zinc/95/64/09/570956409.db2.gz	IMBDORDSYLEEOF-QRJZLDLVSA-N	1	0	388.440	2.115	50	5		GEBARO
CNS(=O)(=O)c1ccc(N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1	ZINC000106529699	570964299	/nfs/dbraw/zinc/96/42/99/570964299.db2.gz	RXSPLCUJJIBZBV-MJBXVCDLSA-N	1	0	384.502	2.281	50	5		GEBARO
Nc1c(C(=O)N2CC[C@@H](OCC[NH+]3CCCCC3)C2)cc(F)cc1[N+](=O)[O-]	ZINC000084335043	571012851	/nfs/dbraw/zinc/01/28/51/571012851.db2.gz	WUQSZQYVEQOGGT-CQSZACIVSA-N	1	0	380.420	2.033	50	5		GEBARO
CN(C)c1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)cc1[N+](=O)[O-]	ZINC000012612966	570890598	/nfs/dbraw/zinc/89/05/98/570890598.db2.gz	CGVSWVFNKCEODW-UHFFFAOYSA-N	1	0	384.440	2.060	50	5		GEBARO
COc1cc(C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c(OC)c1OC	ZINC000032931214	570944976	/nfs/dbraw/zinc/94/49/76/570944976.db2.gz	LQHHIJNJYFFVFP-OLZOCXBDSA-N	1	0	395.456	2.471	50	5		GEBARO
CNS(=O)(=O)c1ccc(N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1	ZINC000057148204	205154841	/nfs/dbraw/zinc/15/48/41/205154841.db2.gz	RXSPLCUJJIBZBV-HZSPNIEDSA-N	1	0	384.502	2.281	50	5		GEBARO
COc1cc2c(c(C[NH2+][C@H](CO)[C@@H](O)c3ccc([N+](=O)[O-])cc3)c1)O[C@@H](C)C2	ZINC000229404500	206104596	/nfs/dbraw/zinc/10/45/96/206104596.db2.gz	SDCOPTUTJFXMHW-RQUSPXKASA-N	1	0	388.420	2.111	50	5		GEBARO
COc1ccc(S(=O)(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1[N+](=O)[O-]	ZINC000032935741	206095452	/nfs/dbraw/zinc/09/54/52/206095452.db2.gz	PQINLYYPOLGSJK-KBPBESRZSA-N	1	0	385.486	2.250	50	5		GEBARO
C[N@H+](CCCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])Cc1ccccc1	ZINC000018061955	570797908	/nfs/dbraw/zinc/79/79/08/570797908.db2.gz	QABMTAHYNDHIHR-UHFFFAOYSA-N	1	0	378.454	2.176	50	5		GEBARO
O=[N+]([O-])c1cccc(-c2noc(CN3CCC[N@H+](C[C@H]4CCCO4)CC3)n2)c1	ZINC000247303018	570996349	/nfs/dbraw/zinc/99/63/49/570996349.db2.gz	FPKXBRAGAPIVAB-QGZVFWFLSA-N	1	0	387.440	2.332	50	5		GEBARO
COc1cccc(C[NH+]2CCC(Nc3ncc([N+](=O)[O-])cc3C(N)=O)CC2)c1	ZINC000048309810	205118942	/nfs/dbraw/zinc/11/89/42/205118942.db2.gz	HQRZIWAASADVMO-UHFFFAOYSA-N	1	0	385.424	2.174	50	5		GEBARO
C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)CCNc2ccccc2[N+](=O)[O-])C[C@@H](C)O1	ZINC000228021327	206102088	/nfs/dbraw/zinc/10/20/88/206102088.db2.gz	CBWSLPITPVAURX-BRWVUGGUSA-N	1	0	390.484	2.497	50	5		GEBARO
C[N@@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@H](C(=O)NCc3ccccc3)[C@@H]2C1	ZINC000035870232	570468477	/nfs/dbraw/zinc/46/84/77/570468477.db2.gz	JJAMODQHMAFSTD-ICSRJNTNSA-N	1	0	380.448	2.204	50	5		GEBARO
COc1c2c(cc3c1[C@@H](c1nnnn1-c1ccccc1C)[N+](C)(C)CC3)OCO2	ZINC000004029427	717097470	/nfs/dbraw/zinc/09/74/70/717097470.db2.gz	ICOOAUNJYSUQIF-SFHVURJKSA-N	1	0	394.455	2.430	50	5		GEBARO
COc1c2c(cc3c1[C@@H](c1nnnn1-c1ccc(C)cc1)[N+](C)(C)CC3)OCO2	ZINC000004029315	717097870	/nfs/dbraw/zinc/09/78/70/717097870.db2.gz	APIFLUKCLWBQMT-SFHVURJKSA-N	1	0	394.455	2.430	50	5		GEBARO
COc1cc(C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c(OC)c1OC	ZINC000036390441	205016182	/nfs/dbraw/zinc/01/61/82/205016182.db2.gz	LQHHIJNJYFFVFP-STQMWFEESA-N	1	0	395.456	2.471	50	5		GEBARO
C[NH+]1CCC2(CCCN2C(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)CC1	ZINC000095454235	536348396	/nfs/dbraw/zinc/34/83/96/536348396.db2.gz	RHRYDWIJNYQSKF-UHFFFAOYSA-N	1	0	388.468	2.132	50	5		GEBARO
C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCOc1ccc(S(N)(=O)=O)cc1	ZINC000024863997	570320300	/nfs/dbraw/zinc/32/03/00/570320300.db2.gz	ZZKUIRWZWLHXHY-CYBMUJFWSA-N	1	0	379.438	2.314	50	5		GEBARO
C[C@H]1C[NH+](CCCNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[C@H](C)O1	ZINC000023509152	207278359	/nfs/dbraw/zinc/27/83/59/207278359.db2.gz	CEMMNFRSGYCDOH-KBPBESRZSA-N	1	0	376.457	2.398	50	5		GEBARO
CC(C)(C)C1=CC[N@H+](CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1	ZINC000253423794	209040570	/nfs/dbraw/zinc/04/05/70/209040570.db2.gz	DFNGVPNJBDMQSS-UHFFFAOYSA-N	1	0	382.486	2.332	50	5		GEBARO
C[NH+]1CCN([C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2)c2ccc(F)cc2)CC1	ZINC000012342583	570351352	/nfs/dbraw/zinc/35/13/52/570351352.db2.gz	SNWJQIGICNJMPY-IBGZPJMESA-N	1	0	386.427	2.452	50	5		GEBARO
CC1(C)CC(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC(C)(C)[NH2+]1	ZINC000012543333	206909749	/nfs/dbraw/zinc/90/97/49/206909749.db2.gz	LSXHYFFHQGXGHF-UHFFFAOYSA-N	1	0	390.484	2.470	50	5		GEBARO
C[NH+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccccc1	ZINC000014887633	207031660	/nfs/dbraw/zinc/03/16/60/207031660.db2.gz	JXFGIJHHQYBCQN-FQEVSTJZSA-N	1	0	398.463	2.464	50	5		GEBARO
CC1CCN(c2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2[N+](=O)[O-])CC1	ZINC000006830913	220968872	/nfs/dbraw/zinc/96/88/72/220968872.db2.gz	XKGGGMZHLXNPJD-UHFFFAOYSA-N	1	0	384.502	2.061	50	5		GEBARO
C[NH+]1CCN(c2ccccc2NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000004757980	536424396	/nfs/dbraw/zinc/42/43/96/536424396.db2.gz	GQIXLUDEZLXZOS-UHFFFAOYSA-N	1	0	399.476	2.473	50	5		GEBARO
COC(=O)c1cc([N+](=O)[O-])ccc1N(C)C1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000072301767	570505679	/nfs/dbraw/zinc/50/56/79/570505679.db2.gz	BFOWLWWFJFRLKT-AWEZNQCLSA-N	1	0	377.441	2.319	50	5		GEBARO
COc1cc2c(c(C[NH2+][C@H](CO)[C@H](O)c3ccc([N+](=O)[O-])cc3)c1)O[C@@H](C)C2	ZINC000072312321	570648557	/nfs/dbraw/zinc/64/85/57/570648557.db2.gz	SDCOPTUTJFXMHW-GESALYCCSA-N	1	0	388.420	2.111	50	5		GEBARO
COc1c2c(cc3c1[C@@H](c1nnnn1-c1cccc(C)c1)[N+](C)(C)CC3)OCO2	ZINC000004029570	717097847	/nfs/dbraw/zinc/09/78/47/717097847.db2.gz	LVMGVTVQEDQEAF-SFHVURJKSA-N	1	0	394.455	2.430	50	5		GEBARO
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C	ZINC000010332792	206384587	/nfs/dbraw/zinc/38/45/87/206384587.db2.gz	OLKPMPZUJBHHEU-QGZVFWFLSA-N	1	0	388.399	2.400	50	5		GEBARO
Cc1sc(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)cc1[N+](=O)[O-]	ZINC000048364140	570245201	/nfs/dbraw/zinc/24/52/01/570245201.db2.gz	MWHJWIWQPCMXRL-UHFFFAOYSA-N	1	0	375.454	2.042	50	5		GEBARO
CC[C@H](O)C[NH+]1CCN(c2nc(C)nc(C)c2Cc2ccc([N+](=O)[O-])cc2)CC1	ZINC000036340238	570625289	/nfs/dbraw/zinc/62/52/89/570625289.db2.gz	SJVCYXLACNCENI-IBGZPJMESA-N	1	0	399.495	2.485	50	5		GEBARO
CC(C)[NH+](CCNC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(C)C	ZINC000006909997	570699279	/nfs/dbraw/zinc/69/92/79/570699279.db2.gz	ZAIFMFYFOCORDQ-UHFFFAOYSA-N	1	0	378.473	2.280	50	5		GEBARO
C[C@@H]1CN(C(=O)C2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)C[C@H](C)O1	ZINC000052701580	570790294	/nfs/dbraw/zinc/79/02/94/570790294.db2.gz	PZRWCXSHGUGGEB-IYBDPMFKSA-N	1	0	375.469	2.485	50	5		GEBARO
CC(=O)O[C@H]1C[C@H]2CC[N@@+]3(C)Cc4cc5c(cc4[C@@H]([C@@H]23)[C@@H]1OC(C)=O)OCO5	ZINC000252460836	570960057	/nfs/dbraw/zinc/96/00/57/570960057.db2.gz	IMBDORDSYLEEOF-DBWPTYIFSA-N	1	0	388.440	2.115	50	5		GEBARO
Cc1cc(C(=O)N2CCC[C@H]2C(=O)N[C@H](C)C[N@H+](C)C(C)C)ccc1[N+](=O)[O-]	ZINC000291949349	209135303	/nfs/dbraw/zinc/13/53/03/209135303.db2.gz	QJYHZQUIMJNDKN-QAPCUYQASA-N	1	0	390.484	2.353	50	5		GEBARO
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C	ZINC000010332787	206384907	/nfs/dbraw/zinc/38/49/07/206384907.db2.gz	OLKPMPZUJBHHEU-KRWDZBQOSA-N	1	0	388.399	2.400	50	5		GEBARO
C[NH+]1CCN([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(F)cc2)CC1	ZINC000009740407	206369135	/nfs/dbraw/zinc/36/91/35/206369135.db2.gz	YYAPKKQFOVCQAA-LJQANCHMSA-N	1	0	386.427	2.452	50	5		GEBARO
C[NH+]1CCN(c2cc(CNC(=O)c3ccc([N+](=O)[O-])cc3Cl)ccn2)CC1	ZINC000047398257	570955160	/nfs/dbraw/zinc/95/51/60/570955160.db2.gz	HXCPFRBQKLXUQD-UHFFFAOYSA-N	1	0	389.843	2.325	50	5		GEBARO
O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c(S(=O)(=O)N2CCCC2)c1	ZINC000036389560	570670514	/nfs/dbraw/zinc/67/05/14/570670514.db2.gz	SRUDNTZRYICFSU-NVXWUHKLSA-N	1	0	394.497	2.418	50	5		GEBARO
C[N@@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@H](C(=O)NCc3ccccc3)[C@@H]2C1	ZINC000104916098	570907958	/nfs/dbraw/zinc/90/79/58/570907958.db2.gz	JJAMODQHMAFSTD-QUCCMNQESA-N	1	0	380.448	2.204	50	5		GEBARO
C[N+]1(C)[C@@H]2C[C@@H](OC(=O)C(O)(c3cccs3)c3cccs3)C[C@H]1[C@@H]1O[C@@H]12	ZINC000100008319	208370185	/nfs/dbraw/zinc/37/01/85/208370185.db2.gz	LERNTVKEWCAPOY-DZZGSBJMSA-N	1	0	392.522	2.346	50	5	fda	GEBARO
COc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)N2CC[NH+](C)CC2)cc1	ZINC000012342566	570351007	/nfs/dbraw/zinc/35/10/07/570351007.db2.gz	UFMWBQUSKINMDG-HXUWFJFHSA-N	1	0	398.463	2.322	50	5		GEBARO
Cc1ccc(S(=O)(=O)N(C[C@H](O)C[NH+](C)C)c2ccccc2[N+](=O)[O-])cc1	ZINC000004951900	570380864	/nfs/dbraw/zinc/38/08/64/570380864.db2.gz	VPXNVXZDHIJKJL-OAHLLOKOSA-N	1	0	393.465	2.021	50	5		GEBARO
COC(=O)c1cc([N+](=O)[O-])ccc1N(C)C1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000072301768	570505271	/nfs/dbraw/zinc/50/52/71/570505271.db2.gz	BFOWLWWFJFRLKT-CQSZACIVSA-N	1	0	377.441	2.319	50	5		GEBARO
Cc1onc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1COc1ccc([N+](=O)[O-])cc1	ZINC000013641470	570663496	/nfs/dbraw/zinc/66/34/96/570663496.db2.gz	PWUCJSHDJZFCLI-OAHLLOKOSA-N	1	0	386.408	2.390	50	5		GEBARO
CC[NH+](CC)CCCN1C(=S)N=NC1CCn1nc(C)c([N+](=O)[O-])c1C	ZINC000007263586	570822056	/nfs/dbraw/zinc/82/20/56/570822056.db2.gz	IBGPBWSAWJBMON-UHFFFAOYSA-N	1	0	381.506	2.263	50	5		GEBARO
C[N@@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@H](C(=O)NCCc3ccccc3)[C@@H]2C1	ZINC000104916102	570908012	/nfs/dbraw/zinc/90/80/12/570908012.db2.gz	QVMXCZXQWQNPHW-CTNGQTDRSA-N	1	0	394.475	2.246	50	5		GEBARO
Cc1ccc(N(C[C@@H](O)C[NH+](C)C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000002948142	206449006	/nfs/dbraw/zinc/44/90/06/206449006.db2.gz	RIMYGYJJTHFXFJ-KRWDZBQOSA-N	1	0	393.465	2.021	50	5		GEBARO
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1	ZINC000016695713	207077785	/nfs/dbraw/zinc/07/77/85/207077785.db2.gz	XNYRFGDCTPLLBA-LPHOPBHVSA-N	1	0	392.500	2.061	50	5		GEBARO
O=C(c1ccc(N2CC[NH+](C3CCCC3)CC2)c([N+](=O)[O-])c1)N1CCOCC1	ZINC000032829701	570844242	/nfs/dbraw/zinc/84/42/42/570844242.db2.gz	IQZRCPNFLLVNAE-UHFFFAOYSA-N	1	0	388.468	2.132	50	5		GEBARO
Cc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C	ZINC000023106667	570905363	/nfs/dbraw/zinc/90/53/63/570905363.db2.gz	WWWQWQCZWLDKEV-AWEZNQCLSA-N	1	0	376.438	2.322	50	5		GEBARO
C[NH+](C)CCNC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1	ZINC000012923193	206246437	/nfs/dbraw/zinc/24/64/37/206246437.db2.gz	ROGCEJPSSQCPCJ-NBVRZTHBSA-N	1	0	382.420	2.044	50	5		GEBARO
O=[N+]([O-])c1ccc(N2CC[NH2+]CC2)cc1Sc1nnnn1-c1ccccc1	ZINC000004687449	206542759	/nfs/dbraw/zinc/54/27/59/206542759.db2.gz	BMXQHOXLTYHPLO-UHFFFAOYSA-N	1	0	383.437	2.131	50	5		GEBARO
O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NC1CC[NH+](Cc2ccccc2)CC1	ZINC000012792751	208775452	/nfs/dbraw/zinc/77/54/52/208775452.db2.gz	PCMWXRSCYDAUHQ-UHFFFAOYSA-N	1	0	396.447	2.105	50	5		GEBARO
COc1ccc(C(=O)NCc2ccc(CN3CCOCC3)cc2)cc1[N+](=O)[O-]	ZINC000012866203	570269457	/nfs/dbraw/zinc/26/94/57/570269457.db2.gz	WVKRUJIFKWLPSD-UHFFFAOYSA-N	1	0	385.420	2.366	50	5		GEBARO
C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCOc1ccc(S(N)(=O)=O)cc1	ZINC000024864002	570320160	/nfs/dbraw/zinc/32/01/60/570320160.db2.gz	ZZKUIRWZWLHXHY-ZDUSSCGKSA-N	1	0	379.438	2.314	50	5		GEBARO
COc1ccc(C[N@@H+]2CCCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)cc1	ZINC000011172859	570724411	/nfs/dbraw/zinc/72/44/11/570724411.db2.gz	DZALGCTWKDMYRE-UHFFFAOYSA-N	1	0	384.436	2.415	50	5		GEBARO
C[NH+]1CCN(CCNc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1	ZINC000032829200	570843779	/nfs/dbraw/zinc/84/37/79/570843779.db2.gz	JSHYEJVOJIBTFM-UHFFFAOYSA-N	1	0	377.323	2.181	50	5		GEBARO
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C	ZINC000023106673	570905409	/nfs/dbraw/zinc/90/54/09/570905409.db2.gz	OHKWVWYHCOUSOI-AWEZNQCLSA-N	1	0	376.438	2.322	50	5		GEBARO
COc1c2c(cc3c1[C@@H](CC(=O)[C@]1(C)CCOC1=O)[N+](C)(C)CC3)OCO2	ZINC000001280276	570954014	/nfs/dbraw/zinc/95/40/14/570954014.db2.gz	HNTNLQJHNKDNPJ-XCLFUZPHSA-N	1	0	376.429	2.010	50	5		GEBARO
C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1	ZINC000079023781	211152902	/nfs/dbraw/zinc/15/29/02/211152902.db2.gz	KETBOAPSXYQWFS-ZBFHGGJFSA-N	1	0	396.513	2.156	50	5		GEBARO
COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000016189163	210187803	/nfs/dbraw/zinc/18/78/03/210187803.db2.gz	SIPDRMPIXXCAMI-UHFFFAOYSA-N	1	0	398.419	2.386	50	5		GEBARO
CCOC(=O)[C@H](CC1=C[NH2+][C@H]2C=CC=C[C@H]12)NC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000015636898	210160584	/nfs/dbraw/zinc/16/05/84/210160584.db2.gz	ROONXJBTUSZQSK-SQNIBIBYSA-N	1	0	383.404	2.244	50	5		GEBARO
CC1(C)CC(NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)CC(C)(C)[NH2+]1	ZINC000002781289	209384024	/nfs/dbraw/zinc/38/40/24/209384024.db2.gz	XJPNNCNIEOGDBY-UHFFFAOYSA-N	1	0	375.429	2.472	50	5		GEBARO
COc1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c([N+](=O)[O-])cc1OC	ZINC000019732474	210290973	/nfs/dbraw/zinc/29/09/73/210290973.db2.gz	GHJBVRNDGRVKAT-KGLIPLIRSA-N	1	0	385.420	2.393	50	5		GEBARO
CNc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1CN1CCOCC1	ZINC000024642993	570276817	/nfs/dbraw/zinc/27/68/17/570276817.db2.gz	SRRDUJZBGLZMRI-UHFFFAOYSA-N	1	0	384.436	2.399	50	5		GEBARO
C[N@@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@H](C(=O)NCCc3ccccc3)[C@@H]2C1	ZINC000035870242	570468406	/nfs/dbraw/zinc/46/84/06/570468406.db2.gz	QVMXCZXQWQNPHW-FPOVZHCZSA-N	1	0	394.475	2.246	50	5		GEBARO
CC[N@H+](C)C[C@H]1CCN(c2ccc(S(=O)(=O)NC(C)C)cc2[N+](=O)[O-])C1	ZINC000072302146	570506247	/nfs/dbraw/zinc/50/62/47/570506247.db2.gz	OKSJQKYPDBCEBF-CQSZACIVSA-N	1	0	384.502	2.060	50	5		GEBARO
Cc1nn(-c2cc(N3CC[NH+](C)CC3)ccc2[N+](=O)[O-])c(=O)c2ccccc12	ZINC000004358040	570694223	/nfs/dbraw/zinc/69/42/23/570694223.db2.gz	UAESUNQZPPNXEG-UHFFFAOYSA-N	1	0	379.420	2.354	50	5		GEBARO
O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c(S(=O)(=O)N2CCCC2)c1	ZINC000032932666	570945637	/nfs/dbraw/zinc/94/56/37/570945637.db2.gz	SRUDNTZRYICFSU-RDJZCZTQSA-N	1	0	394.497	2.418	50	5		GEBARO
C[NH+](C)CCCN1C(=S)N=NC1c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1	ZINC000008485113	209783185	/nfs/dbraw/zinc/78/31/85/209783185.db2.gz	KJLDQWCHZQXHTO-UHFFFAOYSA-N	1	0	387.469	2.339	50	5		GEBARO
COc1ccc([C@H](CNC(=O)c2cccc([N+](=O)[O-])c2)N2CC[NH+](C)CC2)cc1	ZINC000009739965	209315731	/nfs/dbraw/zinc/31/57/31/209315731.db2.gz	NIYMIRDIDBDWGY-FQEVSTJZSA-N	1	0	398.463	2.322	50	5		GEBARO
CC(C)[C@@H](NC(=O)[C@H]([NH3+])Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000071766818	211060488	/nfs/dbraw/zinc/06/04/88/211060488.db2.gz	MFFZQZIWTDHXEY-QZTJIDSGSA-N	1	0	384.436	2.244	50	5		GEBARO
CC(C)[C@@H](NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000071766820	211060600	/nfs/dbraw/zinc/06/06/00/211060600.db2.gz	MFFZQZIWTDHXEY-ZWKOTPCHSA-N	1	0	384.436	2.244	50	5		GEBARO
O=[N+]([O-])c1ccc(N2CC[NH+](CCO)CC2)cc1N1CCc2ccccc2C1	ZINC000019680964	210280890	/nfs/dbraw/zinc/28/08/90/210280890.db2.gz	SLBMIXJHHCRSHC-UHFFFAOYSA-N	1	0	382.464	2.272	50	5		GEBARO
O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+]3CCCC[C@H]23)c(S(=O)(=O)N2CCCC2)c1	ZINC000036389561	570670688	/nfs/dbraw/zinc/67/06/88/570670688.db2.gz	SRUDNTZRYICFSU-DOTOQJQBSA-N	1	0	394.497	2.418	50	5		GEBARO
CC(C)[C@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCOCC1	ZINC000025327370	570747141	/nfs/dbraw/zinc/74/71/41/570747141.db2.gz	LZHQVORDOMQGKI-SFHVURJKSA-N	1	0	376.457	2.256	50	5		GEBARO
C[NH+](C)C[C@@H]1CCCN(c2ccc(S(=O)(=O)NC(C)(C)C)cc2[N+](=O)[O-])C1	ZINC000069350924	136165083	/nfs/dbraw/zinc/16/50/83/136165083.db2.gz	QSLCHYXYCUCXDK-AWEZNQCLSA-N	1	0	398.529	2.450	50	5		GEBARO
Cc1cc(N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)ccc1[N+](=O)[O-]	ZINC000051476546	570280409	/nfs/dbraw/zinc/28/04/09/570280409.db2.gz	WSBCENVXDKXEFB-UHFFFAOYSA-N	1	0	385.449	2.295	50	5		GEBARO
COc1ccc([C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2)N2CC[NH+](C)CC2)cc1	ZINC000009739967	209316646	/nfs/dbraw/zinc/31/66/46/209316646.db2.gz	NIYMIRDIDBDWGY-HXUWFJFHSA-N	1	0	398.463	2.322	50	5		GEBARO
C[C@H](CC[NH+]1CCN(c2ccccc2)CC1)Nc1ncc([N+](=O)[O-])cc1C(N)=O	ZINC000048300461	570233990	/nfs/dbraw/zinc/23/39/90/570233990.db2.gz	UGHDFMGOCKMXHK-OAHLLOKOSA-N	1	0	398.467	2.101	50	5		GEBARO
COc1cc2c(c(C[NH2+][C@H](CO)[C@H](O)c3ccc([N+](=O)[O-])cc3)c1)O[C@H](C)C2	ZINC000072312320	570648570	/nfs/dbraw/zinc/64/85/70/570648570.db2.gz	SDCOPTUTJFXMHW-QQGDVQBRSA-N	1	0	388.420	2.111	50	5		GEBARO
O=C(Cn1cc([N+](=O)[O-])cn1)Nc1nc2ccccc2n1CC[NH+]1CCCCC1	ZINC000002764765	209382728	/nfs/dbraw/zinc/38/27/28/209382728.db2.gz	XJFZQCVBHDRXSE-UHFFFAOYSA-N	1	0	397.439	2.266	50	5		GEBARO
CC1CC[NH+](CCCNc2cc(NCCO)c([N+](=O)[O-])c3nonc32)CC1	ZINC000004564870	209498162	/nfs/dbraw/zinc/49/81/62/209498162.db2.gz	PGLDGRWWAQWCLZ-UHFFFAOYSA-N	1	0	378.433	2.069	50	5		GEBARO
Cc1nn(Cc2ccc(C(=O)NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)o2)c(C)c1[N+](=O)[O-]	ZINC000002786806	209384957	/nfs/dbraw/zinc/38/49/57/209384957.db2.gz	RYQKAMNPHORUNZ-GOOCMWNKSA-N	1	0	387.440	2.404	50	5		GEBARO
C[NH+](C)CCNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1	ZINC000002677480	209377253	/nfs/dbraw/zinc/37/72/53/209377253.db2.gz	ROGCEJPSSQCPCJ-JXAWBTAJSA-N	1	0	382.420	2.044	50	5		GEBARO
Cc1ccc(N(C[C@@H](O)C[NH+](C)C)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000002202686	209349955	/nfs/dbraw/zinc/34/99/55/209349955.db2.gz	GRAOZHKGCWPIFW-INIZCTEOSA-N	1	0	393.465	2.021	50	5		GEBARO
C[C@H]1C[N@H+](C)CC[C@@H]1N(C)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1	ZINC000079023785	211152292	/nfs/dbraw/zinc/15/22/92/211152292.db2.gz	KETBOAPSXYQWFS-HOCLYGCPSA-N	1	0	396.513	2.156	50	5		GEBARO
CN1CC[NH+](CCc2ccc(NC(=O)c3ccc(N)c([N+](=O)[O-])c3)cc2)CC1	ZINC000040449752	221925427	/nfs/dbraw/zinc/92/54/27/221925427.db2.gz	IZGIHEREAHLNJC-UHFFFAOYSA-N	1	0	383.452	2.219	50	5		GEBARO
CC[N@H+](C)C[C@@H]1CCN(c2ccc(S(=O)(=O)NC(C)C)cc2[N+](=O)[O-])C1	ZINC000072302145	570506308	/nfs/dbraw/zinc/50/63/08/570506308.db2.gz	OKSJQKYPDBCEBF-AWEZNQCLSA-N	1	0	384.502	2.060	50	5		GEBARO
C[C@@H]1CN(C(=O)C2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)C[C@@H](C)O1	ZINC000052701585	570790430	/nfs/dbraw/zinc/79/04/30/570790430.db2.gz	PZRWCXSHGUGGEB-HZPDHXFCSA-N	1	0	375.469	2.485	50	5		GEBARO
Cc1ccccc1CNc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-]	ZINC000007272224	570823434	/nfs/dbraw/zinc/82/34/34/570823434.db2.gz	UQSNJHRIZMMSAD-UHFFFAOYSA-N	1	0	392.481	2.355	50	5		GEBARO
Cc1ccc(S(=O)(=O)N(C[C@H](O)C[NH+](C)C)c2cccc([N+](=O)[O-])c2)cc1	ZINC000001775165	209339087	/nfs/dbraw/zinc/33/90/87/209339087.db2.gz	VYUHKWPQWJZLNX-QGZVFWFLSA-N	1	0	393.465	2.021	50	5		GEBARO
COc1c2c(cc3c1[C@H](CC(=O)[C@]1(C)CCOC1=O)[N+](C)(C)CC3)OCO2	ZINC000001280274	211504526	/nfs/dbraw/zinc/50/45/26/211504526.db2.gz	HNTNLQJHNKDNPJ-RBZFPXEDSA-N	1	0	376.429	2.010	50	5		GEBARO
O=[N+]([O-])c1ccc(NCC[NH+]2CCCCC2)c(S(=O)(=O)N2CCCC2)c1	ZINC000036397996	570682607	/nfs/dbraw/zinc/68/26/07/570682607.db2.gz	IGGQQCBEDCCVHF-UHFFFAOYSA-N	1	0	382.486	2.277	50	5		GEBARO
COc1ccc(S(=O)(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-]	ZINC000032935737	570947986	/nfs/dbraw/zinc/94/79/86/570947986.db2.gz	PQINLYYPOLGSJK-OKILXGFUSA-N	1	0	385.486	2.250	50	5		GEBARO
Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)c([N+](=O)[O-])c1	ZINC000010332761	212247447	/nfs/dbraw/zinc/24/74/47/212247447.db2.gz	JVVUCKQLSOLIST-QGZVFWFLSA-N	1	0	388.399	2.400	50	5		GEBARO
Cc1onc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1COc1ccc([N+](=O)[O-])cc1	ZINC000013641473	221278367	/nfs/dbraw/zinc/27/83/67/221278367.db2.gz	PWUCJSHDJZFCLI-HNNXBMFYSA-N	1	0	386.408	2.390	50	5		GEBARO
CCOC(=O)[C@H](CC1=C[NH2+][C@@H]2C=CC=C[C@H]12)NC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000015636895	221337586	/nfs/dbraw/zinc/33/75/86/221337586.db2.gz	ROONXJBTUSZQSK-KURKYZTESA-N	1	0	383.404	2.244	50	5		GEBARO
C[C@H]1CN(C(=O)C2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)C[C@H](C)O1	ZINC000052701583	222006320	/nfs/dbraw/zinc/00/63/20/222006320.db2.gz	PZRWCXSHGUGGEB-HOTGVXAUSA-N	1	0	375.469	2.485	50	5		GEBARO
C[NH+](C)C[C@H]1CCCN(c2ccc(S(=O)(=O)NC(C)(C)C)cc2[N+](=O)[O-])C1	ZINC000069350923	535957194	/nfs/dbraw/zinc/95/71/94/535957194.db2.gz	QSLCHYXYCUCXDK-CQSZACIVSA-N	1	0	398.529	2.450	50	5		GEBARO
COc1cc([N+](=O)[O-])ccc1N1C(=O)C[C@H](N2CCc3ccccc3C2)C1=O	ZINC000100115961	570294421	/nfs/dbraw/zinc/29/44/21/570294421.db2.gz	SIIISWHSSICDMD-KRWDZBQOSA-N	1	0	381.388	2.294	50	5		GEBARO
C[C@@H]1C[NH+](CCCNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[C@@H](C)O1	ZINC000023509144	570325454	/nfs/dbraw/zinc/32/54/54/570325454.db2.gz	CEMMNFRSGYCDOH-ZIAGYGMSSA-N	1	0	376.457	2.398	50	5		GEBARO
CCOC(=O)[C@@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1	ZINC000004551225	570863960	/nfs/dbraw/zinc/86/39/60/570863960.db2.gz	ZDGANMBRLDZAKY-CYBMUJFWSA-N	1	0	379.413	2.207	50	5		GEBARO
[NH2+]=c1ccn(CC(=O)c2ccc(I)c([N+](=O)[O-])c2)cc1	ZINC000022018612	642402292	/nfs/dbraw/zinc/40/22/92/642402292.db2.gz	PTWRBKZKNXCJBF-UHFFFAOYSA-N	1	0	383.145	2.363	50	5		GEBARO
COc1c2c(cc3c1[C@H](c1nnnn1-c1ccccc1C)[N+](C)(C)CC3)OCO2	ZINC000004029428	220672537	/nfs/dbraw/zinc/67/25/37/220672537.db2.gz	ICOOAUNJYSUQIF-GOSISDBHSA-N	1	0	394.455	2.430	50	5		GEBARO
C[NH+](C)CC(=O)N1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1	ZINC000012528072	221202862	/nfs/dbraw/zinc/20/28/62/221202862.db2.gz	ZOLZMHOHOXYEIQ-UHFFFAOYSA-N	1	0	396.447	2.036	50	5		GEBARO
COc1c2c(cc3c1[C@@H](CC(=O)[C@@]1(C)CCOC1=O)[N+](C)(C)CC3)OCO2	ZINC000001280277	570954030	/nfs/dbraw/zinc/95/40/30/570954030.db2.gz	HNTNLQJHNKDNPJ-ZUOKHONESA-N	1	0	376.429	2.010	50	5		GEBARO
COc1cccc([C@@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2C)N(C)C)c1	ZINC000045797605	570996696	/nfs/dbraw/zinc/99/66/96/570996696.db2.gz	XDBMQWNTMARIAJ-QGZVFWFLSA-N	1	0	393.465	2.493	50	5		GEBARO
Nc1c(C(=O)N2CC[C@H](OCC[NH+]3CCCCC3)C2)cc(F)cc1[N+](=O)[O-]	ZINC000084335040	571013233	/nfs/dbraw/zinc/01/32/33/571013233.db2.gz	WUQSZQYVEQOGGT-AWEZNQCLSA-N	1	0	380.420	2.033	50	5		GEBARO
COc1c2c(cc3c1[C@H](c1nnnn1-c1ccc(C)cc1)[N+](C)(C)CC3)OCO2	ZINC000004029316	717097902	/nfs/dbraw/zinc/09/79/02/717097902.db2.gz	APIFLUKCLWBQMT-GOSISDBHSA-N	1	0	394.455	2.430	50	5		GEBARO
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1OCC[NH+]1CCCCC1	ZINC000008188435	221030324	/nfs/dbraw/zinc/03/03/24/221030324.db2.gz	YTRNVOXLPHJRDL-UHFFFAOYSA-N	1	0	383.470	2.244	50	5		GEBARO
Cc1nc(N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)cc(N2CCCC2)[nH+]1	ZINC000015838311	221347151	/nfs/dbraw/zinc/34/71/51/221347151.db2.gz	NWXAKHAGJJWXLJ-UHFFFAOYSA-N	1	0	396.451	2.256	50	5		GEBARO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1	ZINC000016695714	221369818	/nfs/dbraw/zinc/36/98/18/221369818.db2.gz	XNYRFGDCTPLLBA-QFBILLFUSA-N	1	0	392.500	2.061	50	5		GEBARO
CC(C)[C@H](NC(=O)[C@H]([NH3+])Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000071766817	222195741	/nfs/dbraw/zinc/19/57/41/222195741.db2.gz	MFFZQZIWTDHXEY-MSOLQXFVSA-N	1	0	384.436	2.244	50	5		GEBARO
CNS(=O)(=O)c1ccc(N(C)CC[N@H+](C)C2CCCCC2)c([N+](=O)[O-])c1	ZINC000048310601	570233062	/nfs/dbraw/zinc/23/30/62/570233062.db2.gz	QQYICOLDWLYMNR-UHFFFAOYSA-N	1	0	384.502	2.204	50	5		GEBARO
O=[N+]([O-])c1ccc(S(=O)(=O)NCCC[N@@H+]2CCc3ccccc3C2)cc1	ZINC000026832973	570439084	/nfs/dbraw/zinc/43/90/84/570439084.db2.gz	RNZOJIBMGANJBX-UHFFFAOYSA-N	1	0	375.450	2.322	50	5		GEBARO
C[NH+]1CCN([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(F)cc2)CC1	ZINC000009740401	212231371	/nfs/dbraw/zinc/23/13/71/212231371.db2.gz	YYAPKKQFOVCQAA-IBGZPJMESA-N	1	0	386.427	2.452	50	5		GEBARO
C[NH+](C)CCCNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1	ZINC000002712954	220554645	/nfs/dbraw/zinc/55/46/45/220554645.db2.gz	HAHUNHOYIIRJFH-CYVLTUHYSA-N	1	0	396.447	2.434	50	5		GEBARO
COC(=O)N1CCN(c2cc[nH+]cc2NC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1	ZINC000408515608	534008302	/nfs/dbraw/zinc/00/83/02/534008302.db2.gz	HJOSMENOVWIVMT-UHFFFAOYSA-N	1	0	399.407	2.439	50	5		GEBARO
CC(C)NS(=O)(=O)c1ccc(NCC[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1	ZINC000036391340	570673452	/nfs/dbraw/zinc/67/34/52/570673452.db2.gz	DGPWUVRHBZKPGX-CQSZACIVSA-N	1	0	384.502	2.425	50	5		GEBARO
CC[NH+]1CCN(CC(=O)Nc2cc(C)c3c(=O)oc4ccccc4c3n2)CC1	ZINC000101376469	570821404	/nfs/dbraw/zinc/82/14/04/570821404.db2.gz	AZVFGJLPOSMMSN-UHFFFAOYSA-N	1	0	380.448	2.226	50	5		GEBARO
C[N@@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@H](C(=O)NCc3cccc(F)c3)[C@@H]2C1	ZINC000104916263	570908064	/nfs/dbraw/zinc/90/80/64/570908064.db2.gz	AQSJXCALRPKDMU-QUCCMNQESA-N	1	0	398.438	2.343	50	5		GEBARO
O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c(S(=O)(=O)N2CCCC2)c1	ZINC000032932665	570945605	/nfs/dbraw/zinc/94/56/05/570945605.db2.gz	SRUDNTZRYICFSU-WBVHZDCISA-N	1	0	394.497	2.418	50	5		GEBARO
Cc1ccc(N(C[C@H](O)C[NH+](C)C)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000002202683	571000934	/nfs/dbraw/zinc/00/09/34/571000934.db2.gz	GRAOZHKGCWPIFW-MRXNPFEDSA-N	1	0	393.465	2.021	50	5		GEBARO
O=C(N[C@H]1C[NH+]2CCC1CC2)c1cc(Br)c([N+](=O)[O-])c2[nH]cnc21	ZINC000000633316	212167264	/nfs/dbraw/zinc/16/72/64/212167264.db2.gz	QIYWJENRDMXKGN-NSHDSACASA-N	1	0	394.229	2.058	50	5		GEBARO
COc1c2c(cc3c1[C@H](c1nnnn1-c1cccc(C)c1)[N+](C)(C)CC3)OCO2	ZINC000004029571	220671446	/nfs/dbraw/zinc/67/14/46/220671446.db2.gz	LVMGVTVQEDQEAF-GOSISDBHSA-N	1	0	394.455	2.430	50	5		GEBARO
Cc1nc(N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)cc(N2CCCC2)[nH+]1	ZINC000015838309	221346606	/nfs/dbraw/zinc/34/66/06/221346606.db2.gz	ALINQBFIDFHDHW-UHFFFAOYSA-N	1	0	396.451	2.256	50	5		GEBARO
C[NH+]1CCN(Cc2ccccc2CNC(=O)COc2ccc([N+](=O)[O-])cc2)CC1	ZINC000032915604	570926524	/nfs/dbraw/zinc/92/65/24/570926524.db2.gz	AESMOSABIBXWGW-UHFFFAOYSA-N	1	0	398.463	2.037	50	5		GEBARO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN(C)[C@H](C)c2cccc([N+](=O)[O-])c2)C1	ZINC000105888994	570932896	/nfs/dbraw/zinc/93/28/96/570932896.db2.gz	XNYRFGDCTPLLBA-VQIMIIECSA-N	1	0	392.500	2.061	50	5		GEBARO
CNS(=O)(=O)c1ccc(N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1	ZINC000057148208	222029598	/nfs/dbraw/zinc/02/95/98/222029598.db2.gz	RXSPLCUJJIBZBV-MGPQQGTHSA-N	1	0	384.502	2.281	50	5		GEBARO
Cc1nc(C)c(Cc2ccc([N+](=O)[O-])cc2)c(N2CC[NH+](CC(C)(C)O)CC2)n1	ZINC000036316563	570614864	/nfs/dbraw/zinc/61/48/64/570614864.db2.gz	FLMSXFVDKCJEOJ-UHFFFAOYSA-N	1	0	399.495	2.485	50	5		GEBARO
CC[C@@H](O)C[NH+]1CCN(c2nc(C)nc(C)c2Cc2ccc([N+](=O)[O-])cc2)CC1	ZINC000036340239	570625503	/nfs/dbraw/zinc/62/55/03/570625503.db2.gz	SJVCYXLACNCENI-LJQANCHMSA-N	1	0	399.495	2.485	50	5		GEBARO
COc1ccc(S(=O)(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1[N+](=O)[O-]	ZINC000032935739	570947965	/nfs/dbraw/zinc/94/79/65/570947965.db2.gz	PQINLYYPOLGSJK-ZIAGYGMSSA-N	1	0	385.486	2.250	50	5		GEBARO
C[C@@H]1C[N@H+](C)CC[C@H]1N(C)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1	ZINC000107072106	570970541	/nfs/dbraw/zinc/97/05/41/570970541.db2.gz	KETBOAPSXYQWFS-GDBMZVCRSA-N	1	0	396.513	2.156	50	5		GEBARO
CNS(=O)(=O)c1ccc(NC[C@H](CC(C)C)[NH+]2CCCC2)c([N+](=O)[O-])c1	ZINC000012743031	221223856	/nfs/dbraw/zinc/22/38/56/221223856.db2.gz	JRVNKOGGSOLHQG-AWEZNQCLSA-N	1	0	384.502	2.425	50	5		GEBARO
CC(=O)O[C@H]1C[C@@H]2CC[N@@+]3(C)Cc4cc5c(cc4[C@@H]([C@H]23)[C@@H]1OC(C)=O)OCO5	ZINC000252441146	519758237	/nfs/dbraw/zinc/75/82/37/519758237.db2.gz	IMBDORDSYLEEOF-AMEMJVSGSA-N	1	0	388.440	2.115	50	5		GEBARO
C[C@@H](CC[NH+]1CCN(c2ccccc2)CC1)Nc1ncc([N+](=O)[O-])cc1C(N)=O	ZINC000048300459	570234236	/nfs/dbraw/zinc/23/42/36/570234236.db2.gz	UGHDFMGOCKMXHK-HNNXBMFYSA-N	1	0	398.467	2.101	50	5		GEBARO
CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000026539572	570341465	/nfs/dbraw/zinc/34/14/65/570341465.db2.gz	AOOOKAJSSOVNEN-UHFFFAOYSA-N	1	0	398.419	2.323	50	5		GEBARO
C[N@@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@H](C(=O)NCc3cccc(F)c3)[C@@H]2C1	ZINC000035870903	570468326	/nfs/dbraw/zinc/46/83/26/570468326.db2.gz	AQSJXCALRPKDMU-ICSRJNTNSA-N	1	0	398.438	2.343	50	5		GEBARO
Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@H](C)C[N@H+](C)C(C)C)ccc1[N+](=O)[O-]	ZINC000291949346	570667816	/nfs/dbraw/zinc/66/78/16/570667816.db2.gz	QJYHZQUIMJNDKN-CRAIPNDOSA-N	1	0	390.484	2.353	50	5		GEBARO
COc1cc(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c(OC)c1OC	ZINC000032931213	570945037	/nfs/dbraw/zinc/94/50/37/570945037.db2.gz	LQHHIJNJYFFVFP-CHWSQXEVSA-N	1	0	395.456	2.471	50	5		GEBARO
O=C(N[C@@H]1C[NH+]2CCC1CC2)c1cc(Br)c([N+](=O)[O-])c2[nH]cnc21	ZINC000000633319	212166835	/nfs/dbraw/zinc/16/68/35/212166835.db2.gz	QIYWJENRDMXKGN-LLVKDONJSA-N	1	0	394.229	2.058	50	5		GEBARO
C[NH+]1CCN(c2ccc([N+](=O)[O-])c(Sc3nnnn3-c3ccccc3)c2)CC1	ZINC000004187995	220691348	/nfs/dbraw/zinc/69/13/48/220691348.db2.gz	CAGOJVNHQJLVOK-UHFFFAOYSA-N	1	0	397.464	2.474	50	5		GEBARO
C[NH+]1CCN([C@H](CNC(=O)c2cccc([N+](=O)[O-])c2)c2ccc(F)cc2)CC1	ZINC000012342584	221183509	/nfs/dbraw/zinc/18/35/09/221183509.db2.gz	SNWJQIGICNJMPY-LJQANCHMSA-N	1	0	386.427	2.452	50	5		GEBARO
CC(C)[C@H](NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000071766819	222196579	/nfs/dbraw/zinc/19/65/79/222196579.db2.gz	MFFZQZIWTDHXEY-ROUUACIJSA-N	1	0	384.436	2.244	50	5		GEBARO
CC(=O)O[C@H]1C[C@@H]2CC[N@@+]3(C)Cc4cc5c(cc4[C@@H]([C@@H]23)[C@@H]1OC(C)=O)OCO5	ZINC000252441148	519758047	/nfs/dbraw/zinc/75/80/47/519758047.db2.gz	IMBDORDSYLEEOF-PDDRLDOPSA-N	1	0	388.440	2.115	50	5		GEBARO
CC(=O)O[C@H]1C[C@H]2CC[N@+]3(C)Cc4cc5c(cc4[C@@H]([C@@H]23)[C@@H]1OC(C)=O)OCO5	ZINC000252460837	519758091	/nfs/dbraw/zinc/75/80/91/519758091.db2.gz	IMBDORDSYLEEOF-WNTVLCBFSA-N	1	0	388.440	2.115	50	5		GEBARO
Cc1ccc(S(=O)(=O)N(C[C@@H](O)C[NH+](C)C)c2ccccc2[N+](=O)[O-])cc1	ZINC000004951901	570380834	/nfs/dbraw/zinc/38/08/34/570380834.db2.gz	VPXNVXZDHIJKJL-HNNXBMFYSA-N	1	0	393.465	2.021	50	5		GEBARO