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(CC1N=C2c3ccccc3N=C(SCc3cccc([N+](=O)[O-])c3)N2C1=O)NCc1ccccc1	ZINC000002968108	194186089	/nfs/dbraw/zinc/18/60/89/194186089.db2.gz	JDLNOCOEJKKZTK-JOCHJYFZSA-N	0	3	499.552	4.193	50	5		JIBAHN
CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1	ZINC000229950573	570042667	/nfs/dbraw/zinc/04/26/67/570042667.db2.gz	KCPCMULNQZKOGI-RBZQAINGSA-N	0	3	473.485	4.435	50	5		JIBAHN
CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc([N+](=O)[O-])cc4)[C@@H]3C2=O)cc1	ZINC000229950573	570042668	/nfs/dbraw/zinc/04/26/68/570042668.db2.gz	KCPCMULNQZKOGI-RBZQAINGSA-N	0	3	473.485	4.435	50	5		JIBAHN
CCN1CCN(c2ccc(NC(=O)CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)CC1	ZINC000011950934	555869916	/nfs/dbraw/zinc/86/99/16/555869916.db2.gz	ZVIMGKRRSYOSAT-UHFFFAOYSA-N	0	3	465.476	4.196	50	5		JIBAHN
O=C(CCN1CCN(Cc2ccccc2)CC1)N1N=C(c2ccccc2)C[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000017179102	556233833	/nfs/dbraw/zinc/23/38/33/556233833.db2.gz	VTBWKUVXXSMHPR-MUUNZHRXSA-N	0	3	497.599	4.480	50	5		JIBAHN
COc1cccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@@H](c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)c1	ZINC000100711280	569767523	/nfs/dbraw/zinc/76/75/23/569767523.db2.gz	GBYKXNJAMLIMQC-FDFHNCONSA-N	0	3	479.876	4.308	50	5		JIBAHN
CCc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000101130521	569784018	/nfs/dbraw/zinc/78/40/18/569784018.db2.gz	INKGUAIAJDNUEY-ZRBLBEILSA-N	0	3	461.449	4.347	50	5		JIBAHN
O=C1C2ON(c3ccccc3)[C@H](c3ccc(O)cc3)[C@@H]2C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000102706699	569816655	/nfs/dbraw/zinc/81/66/55/569816655.db2.gz	VWJBSAVAENSQEW-PWRODBHTSA-N	0	3	465.849	4.005	50	5		JIBAHN
CCOc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccccc3[N+](=O)[O-])[C@H]2C1=O	ZINC000245247574	570059416	/nfs/dbraw/zinc/05/94/16/570059416.db2.gz	WGZWDBGGJLQTEJ-DNVJHFABSA-N	0	3	459.458	4.045	50	5		JIBAHN
COc1ccc([C@@H]2N(c3ccccc3)OC3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@]32C)cc1	ZINC000009334837	555102281	/nfs/dbraw/zinc/10/22/81/555102281.db2.gz	IFZCGEDPQUXAFJ-SGIRGMQISA-N	0	3	459.458	4.045	50	5		JIBAHN
O=C1C2ON(c3ccccc3)[C@@H](c3cccc([N+](=O)[O-])c3)[C@H]2C(=O)N1c1ccccc1Br	ZINC000013686995	555580589	/nfs/dbraw/zinc/58/05/89/555580589.db2.gz	VUCDUKWQOFVHBX-QHAWAJNXSA-N	0	3	494.301	4.408	50	5		JIBAHN
O=C1C2ON(c3ccc(Cl)cc3)[C@@H](c3ccc(F)cc3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	ZINC000100723664	569767922	/nfs/dbraw/zinc/76/79/22/569767922.db2.gz	MUBGMWLUYWCMQE-QHAWAJNXSA-N	0	3	467.840	4.438	50	5		JIBAHN
CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc([N+](=O)[O-])cc4)[C@@H]3C2=O)cc1	ZINC000102705080	569816350	/nfs/dbraw/zinc/81/63/50/569816350.db2.gz	KCPCMULNQZKOGI-KMDXXIMOSA-N	0	3	473.485	4.435	50	5		JIBAHN
O=C1C2ON(c3ccccc3)[C@@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C(=O)N1c1ccccc1Br	ZINC000226979674	570039534	/nfs/dbraw/zinc/03/95/34/570039534.db2.gz	VUCDUKWQOFVHBX-PCCBWWKXSA-N	0	3	494.301	4.408	50	5		JIBAHN
COCCN(C[C@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@H]1c1cccc(F)c1)C(=O)C(C)C	ZINC000245329604	570066269	/nfs/dbraw/zinc/06/62/69/570066269.db2.gz	TYWXRCUCKPLMIU-GGAORHGYSA-N	0	3	457.546	4.081	50	5		JIBAHN
CCOC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2cccc([N+](=O)[O-])c2)nc1C	ZINC000002842898	554373917	/nfs/dbraw/zinc/37/39/17/554373917.db2.gz	YIGFEZVADIYADS-GOSISDBHSA-N	0	3	491.481	4.393	50	5		JIBAHN
O=C1C2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3)[C@H]2C(=O)N1c1ccc(Br)cc1	ZINC000102757994	569821530	/nfs/dbraw/zinc/82/15/30/569821530.db2.gz	WBNRSNDIXOEGFN-QHAWAJNXSA-N	0	3	494.301	4.408	50	5		JIBAHN
COc1cccc(N2C(=O)C3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4c(F)cccc4Cl)[C@@H]3C2=O)c1	ZINC000102767758	569823301	/nfs/dbraw/zinc/82/33/01/569823301.db2.gz	XFTLROUOYLTKNN-FDFHNCONSA-N	0	3	497.866	4.447	50	5		JIBAHN
O=C(CC1N=C2c3ccccc3N=C(SCc3cccc([N+](=O)[O-])c3)N2C1=O)NCc1ccccc1	ZINC000002968106	194186078	/nfs/dbraw/zinc/18/60/78/194186078.db2.gz	JDLNOCOEJKKZTK-QFIPXVFZSA-N	0	3	499.552	4.193	50	5		JIBAHN
COc1ccc([C@@H]2N(c3ccccc3)OC3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@]32C)cc1	ZINC000002350036	554161035	/nfs/dbraw/zinc/16/10/35/554161035.db2.gz	IFZCGEDPQUXAFJ-HWBMXIPRSA-N	0	3	459.458	4.045	50	5		JIBAHN
O=C1C2ON(c3ccccc3)[C@H](c3cc([N+](=O)[O-])ccc3Cl)[C@H]2C(=O)N1c1ccc(F)cc1	ZINC000009328092	555099065	/nfs/dbraw/zinc/09/90/65/555099065.db2.gz	IKRQVWJBYZXCQS-NJDAHSKKSA-N	0	3	467.840	4.438	50	5		JIBAHN
O=C1C2ON(c3ccccc3)[C@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C(=O)N1c1ccc(Br)cc1	ZINC000009353159	555117857	/nfs/dbraw/zinc/11/78/57/555117857.db2.gz	HVWIMHKWGKNUJZ-NJDAHSKKSA-N	0	3	494.301	4.408	50	5		JIBAHN
O=C1C2ON(c3ccccc3)[C@@H](c3cc([N+](=O)[O-])ccc3Cl)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	ZINC000013804747	555622830	/nfs/dbraw/zinc/62/28/30/555622830.db2.gz	BZSCIBJFJDDIMP-QHAWAJNXSA-N	0	3	494.847	4.208	50	5		JIBAHN
CCN(CC)[C@@H](CNC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1)c1cccc(OC)c1	ZINC000011381397	555776405	/nfs/dbraw/zinc/77/64/05/555776405.db2.gz	VDOUXQBCXWVVKL-DEOSSOPVSA-N	0	3	479.581	4.278	50	5		JIBAHN
CCN1CCC[C@@H]1CN[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1	ZINC000012566378	556064121	/nfs/dbraw/zinc/06/41/21/556064121.db2.gz	CLVSVGQDKQQGML-YLJYHZDGSA-N	0	3	461.360	4.111	50	5		JIBAHN
CCCCNCC1=C(C(=O)OCC)[C@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1Cc1ccccc1	ZINC000013030103	556224857	/nfs/dbraw/zinc/22/48/57/556224857.db2.gz	FUZQRQYTPXVARO-QHCPKHFHSA-N	0	3	466.538	4.068	50	5		JIBAHN
COCCN(C[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@@H]1c1cccc(F)c1)C(=O)C(C)C	ZINC000034740514	569655432	/nfs/dbraw/zinc/65/54/32/569655432.db2.gz	TYWXRCUCKPLMIU-JTHBVZDNSA-N	0	3	457.546	4.081	50	5		JIBAHN
O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccc(NC2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1	ZINC000100468280	569761735	/nfs/dbraw/zinc/76/17/35/569761735.db2.gz	FNLAKIZMSZZQKL-VXKWHMMOSA-N	0	3	462.550	4.351	50	5		JIBAHN
COc1ccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@@H](c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)cc1	ZINC000101157122	569784933	/nfs/dbraw/zinc/78/49/33/569784933.db2.gz	OAHWDTQRGQNEJU-FDFHNCONSA-N	0	3	479.876	4.308	50	5		JIBAHN
CSc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccccc2)cc1	ZINC000101206393	569787067	/nfs/dbraw/zinc/78/70/67/569787067.db2.gz	LJXSTPREHRDJNC-VSKRKVRLSA-N	0	3	461.499	4.368	50	5		JIBAHN
CSc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccccc2)cc1	ZINC000102761750	569822238	/nfs/dbraw/zinc/82/22/38/569822238.db2.gz	LJXSTPREHRDJNC-YPAWHYETSA-N	0	3	461.499	4.368	50	5		JIBAHN
CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc([N+](=O)[O-])cc2)cc1	ZINC000136256048	569864635	/nfs/dbraw/zinc/86/46/35/569864635.db2.gz	PXQIWNKHRHOWMU-RJGXRXQPSA-N	0	3	459.458	4.045	50	5		JIBAHN
CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc([N+](=O)[O-])cc4)[C@@H]3C2=O)cc1	ZINC000136256048	569864636	/nfs/dbraw/zinc/86/46/36/569864636.db2.gz	PXQIWNKHRHOWMU-RJGXRXQPSA-N	0	3	459.458	4.045	50	5		JIBAHN
COc1ccc([C@H]2C([N+](=O)[O-])[C@H]3C=Cc4ccccc4N3[C@H]2C(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000229857067	570041477	/nfs/dbraw/zinc/04/14/77/570041477.db2.gz	SEURAFXKYPYKPI-WSOYEBOPSA-N	0	3	471.469	4.499	50	5		JIBAHN
COc1ccc([C@H]2C([N+](=O)[O-])[C@@H]3C=Cc4ccccc4N3[C@H]2C(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000229864190	570041577	/nfs/dbraw/zinc/04/15/77/570041577.db2.gz	SEURAFXKYPYKPI-OJJQZRKESA-N	0	3	471.469	4.499	50	5		JIBAHN
CC(=O)[C@@H]1C(C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(C)ccc3N21	ZINC000009357820	555122447	/nfs/dbraw/zinc/12/24/47/555122447.db2.gz	HVBIPJRYXMKNMB-YIPGRGJBSA-N	0	3	493.519	4.465	50	5		JIBAHN
CCN1CCC[C@H]1CN[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1	ZINC000012566379	556064190	/nfs/dbraw/zinc/06/41/90/556064190.db2.gz	CLVSVGQDKQQGML-FXAWDEMLSA-N	0	3	461.360	4.111	50	5		JIBAHN
O=C1C2ON(c3ccccc3)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C(=O)N1c1ccc(Br)cc1	ZINC000018044719	556279530	/nfs/dbraw/zinc/27/95/30/556279530.db2.gz	HVWIMHKWGKNUJZ-QHAWAJNXSA-N	0	3	494.301	4.408	50	5		JIBAHN
COc1ccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@@H](c4cccc([N+](=O)[O-])c4)[C@H]3C2=O)cc1	ZINC000101157126	569784819	/nfs/dbraw/zinc/78/48/19/569784819.db2.gz	OAHWDTQRGQNEJU-BHIFYINESA-N	0	3	479.876	4.308	50	5		JIBAHN
COc1cccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)c1	ZINC000102738384	569818918	/nfs/dbraw/zinc/81/89/18/569818918.db2.gz	TVXUPODSUZCLEI-YPAWHYETSA-N	0	3	479.876	4.308	50	5		JIBAHN
O=C1C2ON(c3ccc(Cl)cc3)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1	ZINC000170620719	569873141	/nfs/dbraw/zinc/87/31/41/569873141.db2.gz	NHZSTDKVUILCCA-PCCBWWKXSA-N	0	3	494.847	4.208	50	5		JIBAHN
COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(Cl)c([N+](=O)[O-])c4)[C@@H]3C2=O)c1	ZINC000229912969	570042156	/nfs/dbraw/zinc/04/21/56/570042156.db2.gz	YBVDIFBWHOGWLW-BHDDXSALSA-N	0	3	479.876	4.308	50	5		JIBAHN
COc1ccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@H](c4cccc([N+](=O)[O-])c4)[C@H]3C2=O)cc1	ZINC000239377488	570051221	/nfs/dbraw/zinc/05/12/21/570051221.db2.gz	OAHWDTQRGQNEJU-YPAWHYETSA-N	0	3	479.876	4.308	50	5		JIBAHN
COC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2cccc([N+](=O)[O-])c2)nc1C	ZINC000002703393	194164005	/nfs/dbraw/zinc/16/40/05/194164005.db2.gz	ZNROSZIGFFOGJD-KRWDZBQOSA-N	0	3	477.454	4.003	50	5		JIBAHN
O=c1c2ccccc2c(-c2ccc(Cl)cc2)nn1-c1cc(N2CCNCC2)ccc1[N+](=O)[O-]	ZINC000004199487	527464094	/nfs/dbraw/zinc/46/40/94/527464094.db2.gz	RKWBIMARBPLUTF-UHFFFAOYSA-N	0	3	461.909	4.024	50	5		JIBAHN
CN(C)[C@H](CNC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccccc1	ZINC000013070876	556268773	/nfs/dbraw/zinc/26/87/73/556268773.db2.gz	VMABWUNCVPDZSY-OAQYLSRUSA-N	0	3	464.488	4.249	50	5		JIBAHN
CCc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000102749457	569820648	/nfs/dbraw/zinc/82/06/48/569820648.db2.gz	INKGUAIAJDNUEY-DNVJHFABSA-N	0	3	461.449	4.347	50	5		JIBAHN
CCOc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccccc3[N+](=O)[O-])[C@H]2C1=O	ZINC000102761496	569822288	/nfs/dbraw/zinc/82/22/88/569822288.db2.gz	WGZWDBGGJLQTEJ-XPWALMASSA-N	0	3	459.458	4.045	50	5		JIBAHN
COc1cccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)c1	ZINC000227233019	570040205	/nfs/dbraw/zinc/04/02/05/570040205.db2.gz	TVXUPODSUZCLEI-BHDDXSALSA-N	0	3	479.876	4.308	50	5		JIBAHN
CC(=O)[C@@H]1C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N21	ZINC000229665592	570041017	/nfs/dbraw/zinc/04/10/17/570041017.db2.gz	WVFGNIMBQFZYTP-FQJHJXCSSA-N	0	3	479.492	4.157	50	5		JIBAHN
O=C1C2ON(c3ccccc3)[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C(=O)N1c1ccc(F)cc1	ZINC000229933354	570042476	/nfs/dbraw/zinc/04/24/76/570042476.db2.gz	MIZCSTOGSNAMQH-PWRODBHTSA-N	0	3	467.840	4.438	50	5		JIBAHN
CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc([N+](=O)[O-])cc4)[C@H]3C2=O)cc1	ZINC000238923878	570047858	/nfs/dbraw/zinc/04/78/58/570047858.db2.gz	PXQIWNKHRHOWMU-XPWALMASSA-N	0	3	459.458	4.045	50	5		JIBAHN
COc1cccc(N2C(=O)C3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4c(F)cccc4Cl)[C@H]3C2=O)c1	ZINC000245247785	570059474	/nfs/dbraw/zinc/05/94/74/570059474.db2.gz	XFTLROUOYLTKNN-YPAWHYETSA-N	0	3	497.866	4.447	50	5		JIBAHN
COC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2cccc([N+](=O)[O-])c2)nc1C	ZINC000002703394	194164057	/nfs/dbraw/zinc/16/40/57/194164057.db2.gz	ZNROSZIGFFOGJD-QGZVFWFLSA-N	0	3	477.454	4.003	50	5		JIBAHN
CCOC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2cccc([N+](=O)[O-])c2)nc1C	ZINC000002842897	554373937	/nfs/dbraw/zinc/37/39/37/554373937.db2.gz	YIGFEZVADIYADS-SFHVURJKSA-N	0	3	491.481	4.393	50	5		JIBAHN
CCN(CC)CCN(C(=O)c1ccc([N+](=O)[O-])o1)c1nc2c(s1)c(Cl)ccc2OC	ZINC000012345264	555956136	/nfs/dbraw/zinc/95/61/36/555956136.db2.gz	BPEMFENXHJVGBC-UHFFFAOYSA-N	0	3	452.920	4.448	50	5		JIBAHN
COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2ccc([N+](=O)[O-])cc2)ccc1O	ZINC000018038472	556278724	/nfs/dbraw/zinc/27/87/24/556278724.db2.gz	JOMCFRDCHSYCOG-VSKRKVRLSA-N	0	3	495.875	4.014	50	5		JIBAHN
O=C1CN=C(c2ccccc2)c2cc([N+](=O)[O-])ccc2N1CCCCN1CCN(c2ccccc2)CC1	ZINC000028048481	556313839	/nfs/dbraw/zinc/31/38/39/556313839.db2.gz	RDHULIIVVQNNTE-UHFFFAOYSA-N	0	3	497.599	4.381	50	5		JIBAHN
COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1ccc(OC)c(Cn2nc(C)c([N+](=O)[O-])c2C)c1	ZINC000032109688	556419825	/nfs/dbraw/zinc/41/98/25/556419825.db2.gz	GLKBBIRRDHUILJ-QHCPKHFHSA-N	0	3	461.522	4.190	50	5	biogenic	JIBAHN
O=C1C2ON(c3ccc(Cl)cc3)[C@H](c3ccc(F)cc3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	ZINC000100723666	569768026	/nfs/dbraw/zinc/76/80/26/569768026.db2.gz	MUBGMWLUYWCMQE-NJDAHSKKSA-N	0	3	467.840	4.438	50	5		JIBAHN
COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2ccc([N+](=O)[O-])cc2)ccc1O	ZINC000101166462	569785671	/nfs/dbraw/zinc/78/56/71/569785671.db2.gz	JOMCFRDCHSYCOG-BDTNDASRSA-N	0	3	495.875	4.014	50	5		JIBAHN
CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4[N+](=O)[O-])[C@H]3C2=O)cc1	ZINC000102760059	569821710	/nfs/dbraw/zinc/82/17/10/569821710.db2.gz	XXIMKWSBZNDJIM-TZRRMPRUSA-N	0	3	473.485	4.435	50	5		JIBAHN
O=C(NCC1CCN(Cc2ccc(F)cc2)CC1)c1nn(C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-]	ZINC000020516260	527609327	/nfs/dbraw/zinc/60/93/27/527609327.db2.gz	XRJSMEKKHFMEKE-UHFFFAOYSA-N	0	3	495.599	4.498	50	5		JIBAHN
O=C1C2ON(c3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@H]2C(=O)N1c1ccccc1Br	ZINC000009011943	554864452	/nfs/dbraw/zinc/86/44/52/554864452.db2.gz	VUCDUKWQOFVHBX-NJDAHSKKSA-N	0	3	494.301	4.408	50	5		JIBAHN
CC(=O)[C@@H]1C(C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(C)ccc3N21	ZINC000009282625	555052187	/nfs/dbraw/zinc/05/21/87/555052187.db2.gz	HVBIPJRYXMKNMB-GFQWBHFJSA-N	0	3	493.519	4.465	50	5		JIBAHN
O=C1C2ON(c3ccccc3)[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C(=O)N1c1ccccc1F	ZINC000009328172	555099033	/nfs/dbraw/zinc/09/90/33/555099033.db2.gz	YPBYBVVATNWJDL-NJDAHSKKSA-N	0	3	467.840	4.438	50	5		JIBAHN
Cn1c(CCN2CCN(c3ccccc3)CC2)nc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc21	ZINC000057264327	569594929	/nfs/dbraw/zinc/59/49/29/569594929.db2.gz	QIKCLWQVIVGXGA-UHFFFAOYSA-N	0	3	484.560	4.099	50	5		JIBAHN
CC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2cccc([N+](=O)[O-])c2)nc1C	ZINC000002842797	554373710	/nfs/dbraw/zinc/37/37/10/554373710.db2.gz	GBQJDEGWUBRPFG-GOSISDBHSA-N	0	3	461.455	4.419	50	5		JIBAHN
CN(C)[C@@H](CNC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccccc1	ZINC000013070873	556268777	/nfs/dbraw/zinc/26/87/77/556268777.db2.gz	VMABWUNCVPDZSY-NRFANRHFSA-N	0	3	464.488	4.249	50	5		JIBAHN
COc1cccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)c1	ZINC000018141734	556293287	/nfs/dbraw/zinc/29/32/87/556293287.db2.gz	TVXUPODSUZCLEI-VSKRKVRLSA-N	0	3	479.876	4.308	50	5		JIBAHN
O=C1C2ON(c3ccc(Cl)cc3)[C@H](c3ccc(F)cc3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	ZINC000100625340	569765693	/nfs/dbraw/zinc/76/56/93/569765693.db2.gz	MUBGMWLUYWCMQE-NJYVYQBISA-N	0	3	467.840	4.438	50	5		JIBAHN
CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc([N+](=O)[O-])cc4)[C@@H]3C2=O)cc1	ZINC000100723541	569767951	/nfs/dbraw/zinc/76/79/51/569767951.db2.gz	PXQIWNKHRHOWMU-YTFSRNRJSA-N	0	3	459.458	4.045	50	5		JIBAHN
COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccc([N+](=O)[O-])cc2)ccc1O	ZINC000102756972	569821209	/nfs/dbraw/zinc/82/12/09/569821209.db2.gz	JOMCFRDCHSYCOG-YPAWHYETSA-N	0	3	495.875	4.014	50	5		JIBAHN
COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2ccc([N+](=O)[O-])cc2)ccc1O	ZINC000102756972	569821211	/nfs/dbraw/zinc/82/12/11/569821211.db2.gz	JOMCFRDCHSYCOG-YPAWHYETSA-N	0	3	495.875	4.014	50	5		JIBAHN
CCOc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccccc3[N+](=O)[O-])[C@@H]2C1=O	ZINC000102761492	569822333	/nfs/dbraw/zinc/82/23/33/569822333.db2.gz	WGZWDBGGJLQTEJ-RJGXRXQPSA-N	0	3	459.458	4.045	50	5		JIBAHN
CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4[N+](=O)[O-])[C@H]3C2=O)cc1	ZINC000245247952	570059581	/nfs/dbraw/zinc/05/95/81/570059581.db2.gz	ZNSABAHOLSKQRR-DNVJHFABSA-N	0	3	459.458	4.045	50	5		JIBAHN
CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4[N+](=O)[O-])[C@H]3C2=O)cc1	ZINC000245329165	570066190	/nfs/dbraw/zinc/06/61/90/570066190.db2.gz	XXIMKWSBZNDJIM-WXFUMESZSA-N	0	3	473.485	4.435	50	5		JIBAHN
O=C(NC1CCN(Cc2ccccc2)CC1)c1cccn2c(=O)c3cc(Br)ccc3nc12	ZINC000020646299	195194843	/nfs/dbraw/zinc/19/48/43/195194843.db2.gz	NFCZBPYXPOKVJT-UHFFFAOYSA-N	0	3	491.389	4.005	50	5		JIBAHN
CCOc1ccc([C@@H]2C(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C(=O)N2c2ccc(C)c(F)c2)cc1	ZINC000002475678	554225187	/nfs/dbraw/zinc/22/51/87/554225187.db2.gz	WXIFSHFMVZTHFO-DHIUTWEWSA-N	0	3	489.459	4.194	50	5		JIBAHN
CC(=O)[C@@H]1C(C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(C)ccc3N21	ZINC000009357824	555122461	/nfs/dbraw/zinc/12/24/61/555122461.db2.gz	HVBIPJRYXMKNMB-GSTLAZBSSA-N	0	3	493.519	4.465	50	5		JIBAHN
COc1ccc([C@H]2C([N+](=O)[O-])[C@H]3C=Cc4ccccc4N3[C@@H]2C(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000009462605	555231496	/nfs/dbraw/zinc/23/14/96/555231496.db2.gz	SEURAFXKYPYKPI-RCTAOEEJSA-N	0	3	471.469	4.499	50	5		JIBAHN
O=C1C2ON(c3ccccc3)[C@H](c3cccc(Br)c3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	ZINC000013714144	555591696	/nfs/dbraw/zinc/59/16/96/555591696.db2.gz	FUSSFLYMQUTXSK-NJDAHSKKSA-N	0	3	494.301	4.408	50	5		JIBAHN
O=C(CCN1CCN(Cc2ccccc2)CC1)N1N=C(c2ccccc2)C[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000017179105	556233711	/nfs/dbraw/zinc/23/37/11/556233711.db2.gz	VTBWKUVXXSMHPR-NDEPHWFRSA-N	0	3	497.599	4.480	50	5		JIBAHN
O=C1C2ON(c3ccc(Cl)cc3)[C@H](c3ccc(F)cc3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	ZINC000018154767	556295259	/nfs/dbraw/zinc/29/52/59/556295259.db2.gz	MUBGMWLUYWCMQE-HBMCJLEFSA-N	0	3	467.840	4.438	50	5		JIBAHN
O=C1C2ON(c3ccccc3)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@@H]2C(=O)N1c1ccc(Br)cc1	ZINC000102732477	569818330	/nfs/dbraw/zinc/81/83/30/569818330.db2.gz	HVWIMHKWGKNUJZ-PCCBWWKXSA-N	0	3	494.301	4.408	50	5		JIBAHN
O=C1C2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3Cl)[C@H]2C(=O)N1c1ccc(F)cc1	ZINC000102738090	569818938	/nfs/dbraw/zinc/81/89/38/569818938.db2.gz	XUFBQHDQWQSUOO-QHAWAJNXSA-N	0	3	467.840	4.438	50	5		JIBAHN
O=C1C2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3)[C@H]2C(=O)N1c1ccc(Br)cc1	ZINC000245312577	570063942	/nfs/dbraw/zinc/06/39/42/570063942.db2.gz	WBNRSNDIXOEGFN-NJDAHSKKSA-N	0	3	494.301	4.408	50	5		JIBAHN
CCOc1ccc([C@@H]2C(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C(=O)N2c2ccc(C)c(F)c2)cc1	ZINC000002475681	554225177	/nfs/dbraw/zinc/22/51/77/554225177.db2.gz	WXIFSHFMVZTHFO-PKTZIBPZSA-N	0	3	489.459	4.194	50	5		JIBAHN
CCN1CCC[C@H]1CN[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1	ZINC000035526408	569698854	/nfs/dbraw/zinc/69/88/54/569698854.db2.gz	CLVSVGQDKQQGML-PXNSSMCTSA-N	0	3	461.360	4.111	50	5		JIBAHN
O=C1[C@@H]2C(=C([O-])N1c1ccc(Br)cc1)ON(c1ccccc1)[C@@H]2c1ccc([N+](=O)[O-])cc1	ZINC000229877162	570041629	/nfs/dbraw/zinc/04/16/29/570041629.db2.gz	HVWIMHKWGKNUJZ-PWRODBHTSA-N	0	3	494.301	4.408	50	5		JIBAHN
O=C1C2ON(c3ccccc3)[C@H](c3ccc([N+](=O)[O-])cc3)[C@@H]2C(=O)N1c1ccc(Br)cc1	ZINC000229877162	570041630	/nfs/dbraw/zinc/04/16/30/570041630.db2.gz	HVWIMHKWGKNUJZ-PWRODBHTSA-N	0	3	494.301	4.408	50	5		JIBAHN
CCCOc1ccc(N2C(=O)C3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccccc4)[C@H]3C2=O)cc1	ZINC000245246782	570059131	/nfs/dbraw/zinc/05/91/31/570059131.db2.gz	NMSXMQASPHSVCT-WXFUMESZSA-N	0	3	473.485	4.435	50	5		JIBAHN
CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccc([N+](=O)[O-])c4)[C@H]3C2=O)cc1	ZINC000245324820	570064042	/nfs/dbraw/zinc/06/40/42/570064042.db2.gz	ABHSKXFQMILWRZ-WXFUMESZSA-N	0	3	473.485	4.435	50	5		JIBAHN
CC(=O)[C@@H]1C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21	ZINC000253386458	570095233	/nfs/dbraw/zinc/09/52/33/570095233.db2.gz	WVFGNIMBQFZYTP-NXNJFABFSA-N	0	3	479.492	4.157	50	5		JIBAHN
CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccc([N+](=O)[O-])c4)[C@H]3C2=O)cc1	ZINC000102708062	569816894	/nfs/dbraw/zinc/81/68/94/569816894.db2.gz	ABHSKXFQMILWRZ-TZRRMPRUSA-N	0	3	473.485	4.435	50	5		JIBAHN
COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cc([N+](=O)[O-])ccc4Cl)[C@@H]3C2=O)c1	ZINC000102759820	569821824	/nfs/dbraw/zinc/82/18/24/569821824.db2.gz	WFWHOMVDKSSNJY-FDFHNCONSA-N	0	3	479.876	4.308	50	5		JIBAHN
O=C1C2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3Cl)[C@@H]2C(=O)N1c1ccc(F)cc1	ZINC000245247816	570059491	/nfs/dbraw/zinc/05/94/91/570059491.db2.gz	XUFBQHDQWQSUOO-PWRODBHTSA-N	0	3	467.840	4.438	50	5		JIBAHN
COCCN(C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@H]1c1cccc(F)c1)C(=O)C(C)C	ZINC000245326494	570064627	/nfs/dbraw/zinc/06/46/27/570064627.db2.gz	FJZRMNQQFVETCO-URXFXBBRSA-N	0	3	457.546	4.081	50	5		JIBAHN
CC(=O)[C@@H]1C(C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21	ZINC000008974853	554846322	/nfs/dbraw/zinc/84/63/22/554846322.db2.gz	WVFGNIMBQFZYTP-PAHOUZJPSA-N	0	3	479.492	4.157	50	5		JIBAHN
O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C(=O)N1c1ccccc1F	ZINC000018182479	556300045	/nfs/dbraw/zinc/30/00/45/556300045.db2.gz	YPBYBVVATNWJDL-QHAWAJNXSA-N	0	3	467.840	4.438	50	5		JIBAHN
COc1cccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@@H](c4cccc([N+](=O)[O-])c4)[C@H]3C2=O)c1	ZINC000100711282	569767550	/nfs/dbraw/zinc/76/75/50/569767550.db2.gz	GBYKXNJAMLIMQC-BHIFYINESA-N	0	3	479.876	4.308	50	5		JIBAHN
COc1cc(N(C)CCN(C)C)c([N+](=O)[O-])cc1Nc1nccc(-c2cn(C)c3ccccc23)n1	ZINC000146568246	569867852	/nfs/dbraw/zinc/86/78/52/569867852.db2.gz	PKEPAQKEINNCAB-UHFFFAOYSA-N	0	3	475.553	4.294	50	5		JIBAHN
COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cc([N+](=O)[O-])ccc4Cl)[C@H]3C2=O)c1	ZINC000245247571	570059481	/nfs/dbraw/zinc/05/94/81/570059481.db2.gz	WFWHOMVDKSSNJY-YPAWHYETSA-N	0	3	479.876	4.308	50	5		JIBAHN
CC(C)N(CCNS(=O)(=O)c1ccc(NCc2cccc(Cl)c2)c([N+](=O)[O-])c1)C(C)C	ZINC000013040363	556243352	/nfs/dbraw/zinc/24/33/52/556243352.db2.gz	ZTINTMUJDASECJ-UHFFFAOYSA-N	0	3	469.007	4.257	50	5		JIBAHN
O=C1C2ON(c3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C(=O)N1c1ccccc1Br	ZINC000102710931	569817042	/nfs/dbraw/zinc/81/70/42/569817042.db2.gz	VUCDUKWQOFVHBX-PWRODBHTSA-N	0	3	494.301	4.408	50	5		JIBAHN
COc1cc([C@H]2C([N+](=O)[O-])[C@H]3C=Cc4ccccc4N3[C@H]2C(=O)c2cccc([N+](=O)[O-])c2)ccc1O	ZINC000248124427	570074602	/nfs/dbraw/zinc/07/46/02/570074602.db2.gz	DMYBEYYSUCWYDA-HKTJVKLFSA-N	0	3	487.468	4.205	50	5		JIBAHN
CCOc1ccc([C@H]2C(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C(=O)N2c2ccc(C)c(F)c2)cc1	ZINC000002475679	554225215	/nfs/dbraw/zinc/22/52/15/554225215.db2.gz	WXIFSHFMVZTHFO-GOTSBHOMSA-N	0	3	489.459	4.194	50	5		JIBAHN
CC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2cccc([N+](=O)[O-])c2)nc1C	ZINC000002842796	554373651	/nfs/dbraw/zinc/37/36/51/554373651.db2.gz	GBQJDEGWUBRPFG-SFHVURJKSA-N	0	3	461.455	4.419	50	5		JIBAHN
O=C1C2ON(c3ccccc3)[C@@H](c3ccc(O)cc3)[C@H]2C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000013648594	555552997	/nfs/dbraw/zinc/55/29/97/555552997.db2.gz	VWJBSAVAENSQEW-QHAWAJNXSA-N	0	3	465.849	4.005	50	5		JIBAHN
O=C1C2ON(c3ccccc3)[C@@H](c3cc([N+](=O)[O-])ccc3Cl)[C@H]2C(=O)N1c1ccc(F)cc1	ZINC000018054255	556280664	/nfs/dbraw/zinc/28/06/64/556280664.db2.gz	IKRQVWJBYZXCQS-QHAWAJNXSA-N	0	3	467.840	4.438	50	5		JIBAHN
O=C1N=C2N(CCN3CCCCC3)c3ccccc3N2/C1=C\c1cc([N+](=O)[O-])ccc1Cl	ZINC000032703141	556472365	/nfs/dbraw/zinc/47/23/65/556472365.db2.gz	GPXBTXVAQNCDFE-QNGOZBTKSA-N	0	3	451.914	4.298	50	5		JIBAHN
COCCN(C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1c1cccc(F)c1)C(=O)C(C)C	ZINC000034740513	569655397	/nfs/dbraw/zinc/65/53/97/569655397.db2.gz	FJZRMNQQFVETCO-ZJSXRUAMSA-N	0	3	457.546	4.081	50	5		JIBAHN
CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc([N+](=O)[O-])cc4)[C@H]3C2=O)cc1	ZINC000102705082	569816360	/nfs/dbraw/zinc/81/63/60/569816360.db2.gz	KCPCMULNQZKOGI-TZRRMPRUSA-N	0	3	473.485	4.435	50	5		JIBAHN
O=C1C2ON(c3ccccc3)[C@H](c3ccc(Br)cc3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	ZINC000138771158	569866412	/nfs/dbraw/zinc/86/64/12/569866412.db2.gz	YHLCVUANJFXJPX-PWRODBHTSA-N	0	3	494.301	4.408	50	5		JIBAHN
O=C1C2ON(c3ccc(Cl)cc3)[C@H](c3ccc([N+](=O)[O-])cc3)[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1	ZINC000229968578	570042870	/nfs/dbraw/zinc/04/28/70/570042870.db2.gz	NHZSTDKVUILCCA-PWRODBHTSA-N	0	3	494.847	4.208	50	5		JIBAHN
Cc1ccc(CCNCC(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccccc2F)cc1	ZINC000020155093	555674888	/nfs/dbraw/zinc/67/48/88/555674888.db2.gz	FYSFXVWXEFCPMX-UHFFFAOYSA-N	0	3	450.470	4.065	50	5		JIBAHN
Cn1c(CCN2CCN(c3ccccc3)CC2)nc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc21	ZINC000057264330	569594989	/nfs/dbraw/zinc/59/49/89/569594989.db2.gz	NZFPYWRQZPDQSI-UHFFFAOYSA-N	0	3	484.560	4.099	50	5		JIBAHN
COCCN(C[C@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@@H]1c1cccc(F)c1)C(=O)C(C)C	ZINC000034740515	569655357	/nfs/dbraw/zinc/65/53/57/569655357.db2.gz	TYWXRCUCKPLMIU-FYYLOGMGSA-N	0	3	457.546	4.081	50	5		JIBAHN
CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)cc1	ZINC000102708059	569816891	/nfs/dbraw/zinc/81/68/91/569816891.db2.gz	ABHSKXFQMILWRZ-KMDXXIMOSA-N	0	3	473.485	4.435	50	5		JIBAHN
COc1cccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@H](c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)c1	ZINC000230052632	570044044	/nfs/dbraw/zinc/04/40/44/570044044.db2.gz	GBYKXNJAMLIMQC-BHDDXSALSA-N	0	3	479.876	4.308	50	5		JIBAHN
COc1cc([C@H]2C([N+](=O)[O-])[C@H]3C=Cc4ccccc4N3[C@@H]2C(=O)c2cccc([N+](=O)[O-])c2)ccc1O	ZINC000009462042	555230664	/nfs/dbraw/zinc/23/06/64/555230664.db2.gz	DMYBEYYSUCWYDA-YFJHUXEUSA-N	0	3	487.468	4.205	50	5		JIBAHN
O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccc(NC2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1	ZINC000013524092	555486712	/nfs/dbraw/zinc/48/67/12/555486712.db2.gz	FNLAKIZMSZZQKL-FGZHOGPDSA-N	0	3	462.550	4.351	50	5		JIBAHN
CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2ccccc2)cc1	ZINC000102756797	569821247	/nfs/dbraw/zinc/82/12/47/569821247.db2.gz	NMSXMQASPHSVCT-KMDXXIMOSA-N	0	3	473.485	4.435	50	5		JIBAHN
CCCOc1ccc(N2C(=O)C3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccccc4)[C@@H]3C2=O)cc1	ZINC000102756797	569821248	/nfs/dbraw/zinc/82/12/48/569821248.db2.gz	NMSXMQASPHSVCT-KMDXXIMOSA-N	0	3	473.485	4.435	50	5		JIBAHN
O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C(=O)N1c1ccc(F)cc1	ZINC000102766337	569823017	/nfs/dbraw/zinc/82/30/17/569823017.db2.gz	MIZCSTOGSNAMQH-PCCBWWKXSA-N	0	3	467.840	4.438	50	5		JIBAHN
CC(=O)[C@@H]1C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(C)ccc3N21	ZINC000253487258	570099698	/nfs/dbraw/zinc/09/96/98/570099698.db2.gz	HVBIPJRYXMKNMB-AQWTWLKTSA-N	0	3	493.519	4.465	50	5		JIBAHN
Cc1nnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3C2c2cccc([N+](=O)[O-])c2)s1	ZINC000001854006	194150102	/nfs/dbraw/zinc/15/01/02/194150102.db2.gz	SBKJPVPBIAQBJD-INIZCTEOSA-N	0	3	454.851	4.264	50	5		JIBAHN
CCOC(=O)C1=C(c2ccccc2)NC(=N)N[C@H]1c1ccc(Oc2ccc(OC)cc2)c([N+](=O)[O-])c1	ZINC000012641763	195071332	/nfs/dbraw/zinc/07/13/32/195071332.db2.gz	VIWRKTRVHIHSSF-DEOSSOPVSA-N	0	3	488.500	4.329	50	5		JIBAHN
CSc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccccc2)cc1	ZINC000102761746	569822306	/nfs/dbraw/zinc/82/23/06/569822306.db2.gz	LJXSTPREHRDJNC-BHDDXSALSA-N	0	3	461.499	4.368	50	5		JIBAHN
CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4[N+](=O)[O-])[C@@H]3C2=O)cc1	ZINC000229907882	570042235	/nfs/dbraw/zinc/04/22/35/570042235.db2.gz	ZNSABAHOLSKQRR-YTFSRNRJSA-N	0	3	459.458	4.045	50	5		JIBAHN
O=C1C2ON(c3ccccc3)[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C(=O)N1c1ccc(F)cc1	ZINC000009344571	555109938	/nfs/dbraw/zinc/10/99/38/555109938.db2.gz	MIZCSTOGSNAMQH-NJDAHSKKSA-N	0	3	467.840	4.438	50	5		JIBAHN
COc1ccc(CN2CCCN(c3ccc(S(=O)(=O)Nc4ccccc4)cc3[N+](=O)[O-])CC2)cc1	ZINC000009378607	555140270	/nfs/dbraw/zinc/14/02/70/555140270.db2.gz	QUYNWUZJCACAAZ-UHFFFAOYSA-N	0	3	496.589	4.117	50	5		JIBAHN
O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Br)cc3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	ZINC000013563262	555498061	/nfs/dbraw/zinc/49/80/61/555498061.db2.gz	YHLCVUANJFXJPX-QHAWAJNXSA-N	0	3	494.301	4.408	50	5		JIBAHN
COCCN(C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1c1cccc(F)c1)C(=O)C(C)C	ZINC000034740512	569655303	/nfs/dbraw/zinc/65/53/03/569655303.db2.gz	FJZRMNQQFVETCO-XUZZJYLKSA-N	0	3	457.546	4.081	50	5		JIBAHN
O=C1C2ON(c3ccccc3)[C@@H](c3cc([N+](=O)[O-])ccc3Cl)[C@@H]2C(=O)N1c1ccc(F)cc1	ZINC000102762135	569822189	/nfs/dbraw/zinc/82/21/89/569822189.db2.gz	IKRQVWJBYZXCQS-PCCBWWKXSA-N	0	3	467.840	4.438	50	5		JIBAHN
O=C1C2ON(c3ccccc3)[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C(=O)N1c1ccccc1F	ZINC000102768253	569823406	/nfs/dbraw/zinc/82/34/06/569823406.db2.gz	YPBYBVVATNWJDL-PWRODBHTSA-N	0	3	467.840	4.438	50	5		JIBAHN
O=C1[C@@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1ccc(Cl)cc1)[C@H]2c1ccc(F)cc1	ZINC000137717767	569865215	/nfs/dbraw/zinc/86/52/15/569865215.db2.gz	MUBGMWLUYWCMQE-PCCBWWKXSA-N	0	3	467.840	4.438	50	5		JIBAHN
O=C1C2ON(c3ccc(Cl)cc3)[C@@H](c3ccc(F)cc3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	ZINC000137717767	569865216	/nfs/dbraw/zinc/86/52/16/569865216.db2.gz	MUBGMWLUYWCMQE-PCCBWWKXSA-N	0	3	467.840	4.438	50	5		JIBAHN
CC(=O)[C@@H]1C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(C)ccc3N21	ZINC000229872540	570041603	/nfs/dbraw/zinc/04/16/03/570041603.db2.gz	HVBIPJRYXMKNMB-OSSDZZHWSA-N	0	3	493.519	4.465	50	5		JIBAHN
CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2[N+](=O)[O-])cc1	ZINC000229944529	570042672	/nfs/dbraw/zinc/04/26/72/570042672.db2.gz	XXIMKWSBZNDJIM-RBZQAINGSA-N	0	3	473.485	4.435	50	5		JIBAHN
CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4[N+](=O)[O-])[C@@H]3C2=O)cc1	ZINC000229944529	570042673	/nfs/dbraw/zinc/04/26/73/570042673.db2.gz	XXIMKWSBZNDJIM-RBZQAINGSA-N	0	3	473.485	4.435	50	5		JIBAHN
CCN(CC)CCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000002853554	554381580	/nfs/dbraw/zinc/38/15/80/554381580.db2.gz	QOWYEXUYBUXDIX-HXUWFJFHSA-N	0	3	455.898	4.242	50	5		JIBAHN
Cc1ccc(N2CCN(CCc3nc4cc(NC(=O)c5ccc([N+](=O)[O-])cc5)ccc4n3C)CC2)cc1	ZINC000009110233	554898248	/nfs/dbraw/zinc/89/82/48/554898248.db2.gz	QQTFFPLSOBVRDZ-UHFFFAOYSA-N	0	3	498.587	4.407	50	5		JIBAHN
O=C1C2ON(c3ccccc3)[C@H](c3ccc(O)cc3)[C@H]2C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000013648597	555552969	/nfs/dbraw/zinc/55/29/69/555552969.db2.gz	VWJBSAVAENSQEW-NJDAHSKKSA-N	0	3	465.849	4.005	50	5		JIBAHN
O=C1C2ON(c3ccccc3)[C@H](c3cc([N+](=O)[O-])ccc3Cl)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	ZINC000013804744	555622848	/nfs/dbraw/zinc/62/28/48/555622848.db2.gz	BZSCIBJFJDDIMP-NJDAHSKKSA-N	0	3	494.847	4.208	50	5		JIBAHN
COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cc([N+](=O)[O-])ccc4Cl)[C@H]3C2=O)c1	ZINC000102759823	569821761	/nfs/dbraw/zinc/82/17/61/569821761.db2.gz	WFWHOMVDKSSNJY-BHIFYINESA-N	0	3	479.876	4.308	50	5		JIBAHN
O=C1C2ON(c3ccccc3)[C@H](c3cccc(Br)c3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	ZINC000137611988	569865048	/nfs/dbraw/zinc/86/50/48/569865048.db2.gz	FUSSFLYMQUTXSK-PWRODBHTSA-N	0	3	494.301	4.408	50	5		JIBAHN
O=C1C2ON(c3ccccc3)[C@H](c3cc([N+](=O)[O-])ccc3Cl)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	ZINC000137913329	569865389	/nfs/dbraw/zinc/86/53/89/569865389.db2.gz	BZSCIBJFJDDIMP-PWRODBHTSA-N	0	3	494.847	4.208	50	5		JIBAHN
O=C1C2ON(c3ccc(Cl)cc3)[C@H](c3ccc(F)cc3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	ZINC000137900241	569865473	/nfs/dbraw/zinc/86/54/73/569865473.db2.gz	MUBGMWLUYWCMQE-PWRODBHTSA-N	0	3	467.840	4.438	50	5		JIBAHN
O=C1C2ON(c3ccc(Cl)cc3)[C@@H](c3cccs3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	ZINC000169688928	569871369	/nfs/dbraw/zinc/87/13/69/569871369.db2.gz	YTBKTEVAVYLOSN-GBESFXJTSA-N	0	3	455.879	4.361	50	5		JIBAHN
COc1ccc([C@H]2C([N+](=O)[O-])[C@H]3C=Cc4ccccc4N3[C@H]2C(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000248255532	570076835	/nfs/dbraw/zinc/07/68/35/570076835.db2.gz	SEURAFXKYPYKPI-ZFFYZDHPSA-N	0	3	471.469	4.499	50	5		JIBAHN
O=C(c1ccc(COc2ccc([N+](=O)[O-])cc2)o1)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1	ZINC000008455654	554599892	/nfs/dbraw/zinc/59/98/92/554599892.db2.gz	AJUSRDDPUBVFNX-UHFFFAOYSA-N	0	3	465.550	4.493	50	5		JIBAHN
O=C1C2ON(c3ccc(Cl)cc3)[C@H](c3cccs3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	ZINC000238950588	570048276	/nfs/dbraw/zinc/04/82/76/570048276.db2.gz	YTBKTEVAVYLOSN-GUDVDZBRSA-N	0	3	455.879	4.361	50	5		JIBAHN
O=C(CC1N=C2c3ccccc3N=C(SCc3cccc([N+](=O)[O-])c3)N2C1=O)NC1CCCCC1	ZINC000002967960	194185735	/nfs/dbraw/zinc/18/57/35/194185735.db2.gz	XVZDKPWTASNBPK-NRFANRHFSA-N	0	3	491.573	4.326	50	5		JIBAHN
COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(Cl)c([N+](=O)[O-])c4)[C@@H]3C2=O)c1	ZINC000013806377	555623824	/nfs/dbraw/zinc/62/38/24/555623824.db2.gz	YBVDIFBWHOGWLW-FDFHNCONSA-N	0	3	479.876	4.308	50	5		JIBAHN
O=C1C2ON(c3ccc(Cl)cc3)[C@@H](c3ccc(F)cc3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	ZINC000018036687	556278406	/nfs/dbraw/zinc/27/84/06/556278406.db2.gz	MUBGMWLUYWCMQE-HKBOAZHASA-N	0	3	467.840	4.438	50	5		JIBAHN
O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C(=O)N1c1ccccc1F	ZINC000137941564	569865560	/nfs/dbraw/zinc/86/55/60/569865560.db2.gz	YPBYBVVATNWJDL-PCCBWWKXSA-N	0	3	467.840	4.438	50	5		JIBAHN
COc1cccc(N2C(=O)C3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4c(F)cccc4Cl)[C@@H]3C2=O)c1	ZINC000229893495	570041771	/nfs/dbraw/zinc/04/17/71/570041771.db2.gz	XFTLROUOYLTKNN-BHDDXSALSA-N	0	3	497.866	4.447	50	5		JIBAHN
O=C1N=C2N(CCN3CCCCC3)c3ccccc3N2/C1=C/c1cc([N+](=O)[O-])ccc1Cl	ZINC000008397216	554572193	/nfs/dbraw/zinc/57/21/93/554572193.db2.gz	GPXBTXVAQNCDFE-RCCKNPSSSA-N	0	3	451.914	4.298	50	5		JIBAHN
CCc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000143597997	569867638	/nfs/dbraw/zinc/86/76/38/569867638.db2.gz	INKGUAIAJDNUEY-YTFSRNRJSA-N	0	3	461.449	4.347	50	5		JIBAHN
O=C1C2ON(c3ccc(Cl)cc3)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1	ZINC000224876257	569961361	/nfs/dbraw/zinc/96/13/61/569961361.db2.gz	NHZSTDKVUILCCA-QHAWAJNXSA-N	0	3	494.847	4.208	50	5		JIBAHN
COCCN(C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@H]1c1cccc(F)c1)C(=O)C(C)C	ZINC000245326491	570064737	/nfs/dbraw/zinc/06/47/37/570064737.db2.gz	FJZRMNQQFVETCO-QPPBQGQZSA-N	0	3	457.546	4.081	50	5		JIBAHN
O=C(CC1N=C2c3ccccc3N=C(SCc3cccc([N+](=O)[O-])c3)N2C1=O)NC1CCCCC1	ZINC000002967962	194185630	/nfs/dbraw/zinc/18/56/30/194185630.db2.gz	XVZDKPWTASNBPK-OAQYLSRUSA-N	0	3	491.573	4.326	50	5		JIBAHN
O=C(CC1N=C2c3ccccc3N=C(SCc3ccc([N+](=O)[O-])cc3)N2C1=O)NCc1ccccc1	ZINC000002968183	194186174	/nfs/dbraw/zinc/18/61/74/194186174.db2.gz	KAIJPBXTTMLGTB-JOCHJYFZSA-N	0	3	499.552	4.193	50	5		JIBAHN
O=C1C2ON(c3ccccc3)[C@@H](c3cccc(Br)c3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	ZINC000013714147	555591798	/nfs/dbraw/zinc/59/17/98/555591798.db2.gz	FUSSFLYMQUTXSK-QHAWAJNXSA-N	0	3	494.301	4.408	50	5		JIBAHN
O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C(=O)N1c1ccc(F)cc1	ZINC000018101928	556288078	/nfs/dbraw/zinc/28/80/78/556288078.db2.gz	MIZCSTOGSNAMQH-QHAWAJNXSA-N	0	3	467.840	4.438	50	5		JIBAHN
O=C1[C@@H]2CCCC[C@@H]2C(=O)N1c1ccc(NC2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1	ZINC000100468275	569761732	/nfs/dbraw/zinc/76/17/32/569761732.db2.gz	FNLAKIZMSZZQKL-SZPZYZBQSA-N	0	3	462.550	4.351	50	5		JIBAHN
O=C1C2ON(c3ccccc3)[C@@H](c3ccc(O)cc3)[C@@H]2C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000102706701	569816625	/nfs/dbraw/zinc/81/66/25/569816625.db2.gz	VWJBSAVAENSQEW-PCCBWWKXSA-N	0	3	465.849	4.005	50	5		JIBAHN
CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2ccccc2)cc1	ZINC000102756799	569821301	/nfs/dbraw/zinc/82/13/01/569821301.db2.gz	NMSXMQASPHSVCT-TZRRMPRUSA-N	0	3	473.485	4.435	50	5		JIBAHN
CCCOc1ccc(N2C(=O)C3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccccc4)[C@H]3C2=O)cc1	ZINC000102756799	569821303	/nfs/dbraw/zinc/82/13/03/569821303.db2.gz	NMSXMQASPHSVCT-TZRRMPRUSA-N	0	3	473.485	4.435	50	5		JIBAHN
COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1	ZINC000229884270	570041743	/nfs/dbraw/zinc/04/17/43/570041743.db2.gz	OAHWDTQRGQNEJU-BHDDXSALSA-N	0	3	479.876	4.308	50	5		JIBAHN
COc1ccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@H](c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)cc1	ZINC000229884270	570041744	/nfs/dbraw/zinc/04/17/44/570041744.db2.gz	OAHWDTQRGQNEJU-BHDDXSALSA-N	0	3	479.876	4.308	50	5		JIBAHN
CCCOc1ccc(N2C(=O)C3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccccc4)[C@@H]3C2=O)cc1	ZINC000229929627	570042341	/nfs/dbraw/zinc/04/23/41/570042341.db2.gz	NMSXMQASPHSVCT-RBZQAINGSA-N	0	3	473.485	4.435	50	5		JIBAHN
O=C1C2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc(Br)cc1	ZINC000245312579	570063906	/nfs/dbraw/zinc/06/39/06/570063906.db2.gz	WBNRSNDIXOEGFN-PWRODBHTSA-N	0	3	494.301	4.408	50	5		JIBAHN
CC(=O)[C@@H]1C(C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N21	ZINC000008964739	554838680	/nfs/dbraw/zinc/83/86/80/554838680.db2.gz	WVFGNIMBQFZYTP-XVOBZGQLSA-N	0	3	479.492	4.157	50	5	biogenic	JIBAHN
O=C1C2ON(c3ccccc3)[C@H](c3ccc(Br)cc3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	ZINC000013563259	555498164	/nfs/dbraw/zinc/49/81/64/555498164.db2.gz	YHLCVUANJFXJPX-NJDAHSKKSA-N	0	3	494.301	4.408	50	5		JIBAHN
COc1ccc(CN2CCC(CNC(=O)c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)CC2)cc1	ZINC000060185839	569608523	/nfs/dbraw/zinc/60/85/23/569608523.db2.gz	RKORTVRQTIHZRZ-UHFFFAOYSA-N	0	3	480.609	4.482	50	5		JIBAHN
O=C1C2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3Cl)[C@@H]2C(=O)N1c1ccc(F)cc1	ZINC000102738085	569818911	/nfs/dbraw/zinc/81/89/11/569818911.db2.gz	XUFBQHDQWQSUOO-PCCBWWKXSA-N	0	3	467.840	4.438	50	5		JIBAHN
COc1cccc(N2C(=O)C3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4c(F)cccc4Cl)[C@H]3C2=O)c1	ZINC000102767760	569823312	/nfs/dbraw/zinc/82/33/12/569823312.db2.gz	XFTLROUOYLTKNN-BHIFYINESA-N	0	3	497.866	4.447	50	5		JIBAHN
CCN(CC)CCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000002853553	554381632	/nfs/dbraw/zinc/38/16/32/554381632.db2.gz	QOWYEXUYBUXDIX-FQEVSTJZSA-N	0	3	455.898	4.242	50	5		JIBAHN
CCCCNCC1=C(C(=O)OCC)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1Cc1ccccc1	ZINC000013030100	556224852	/nfs/dbraw/zinc/22/48/52/556224852.db2.gz	FUZQRQYTPXVARO-HSZRJFAPSA-N	0	3	466.538	4.068	50	5		JIBAHN
CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc([N+](=O)[O-])cc4)[C@H]3C2=O)cc1	ZINC000100723545	569768021	/nfs/dbraw/zinc/76/80/21/569768021.db2.gz	PXQIWNKHRHOWMU-DNVJHFABSA-N	0	3	459.458	4.045	50	5		JIBAHN
CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4[N+](=O)[O-])[C@@H]3C2=O)cc1	ZINC000102758723	569821459	/nfs/dbraw/zinc/82/14/59/569821459.db2.gz	ZNSABAHOLSKQRR-RJGXRXQPSA-N	0	3	459.458	4.045	50	5		JIBAHN
CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1	ZINC000230003185	570043395	/nfs/dbraw/zinc/04/33/95/570043395.db2.gz	ABHSKXFQMILWRZ-RBZQAINGSA-N	0	3	473.485	4.435	50	5		JIBAHN
CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)cc1	ZINC000230003185	570043397	/nfs/dbraw/zinc/04/33/97/570043397.db2.gz	ABHSKXFQMILWRZ-RBZQAINGSA-N	0	3	473.485	4.435	50	5		JIBAHN
CCN(CC)CCN(C(=O)c1ccc([N+](=O)[O-])s1)c1nc2cc3c(cc2s1)OCCO3	ZINC000010066917	555614064	/nfs/dbraw/zinc/61/40/64/555614064.db2.gz	NQWGVSSANQQGPA-UHFFFAOYSA-N	0	3	462.553	4.026	50	5		JIBAHN
CSc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccccc2)cc1	ZINC000018091218	556286252	/nfs/dbraw/zinc/28/62/52/556286252.db2.gz	LJXSTPREHRDJNC-BDTNDASRSA-N	0	3	461.499	4.368	50	5		JIBAHN
CCN1CCC[C@@H]1CN[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1	ZINC000035526407	569698837	/nfs/dbraw/zinc/69/88/37/569698837.db2.gz	CLVSVGQDKQQGML-XLIONFOSSA-N	0	3	461.360	4.111	50	5		JIBAHN
O=[N+]([O-])c1ccc(-n2nc(-c3ccccc3)c3c(O)n(-c4ccc(Br)cc4)c(O)c32)cc1	ZINC000100949341	569777595	/nfs/dbraw/zinc/77/75/95/569777595.db2.gz	ZWNVFYNPUBFYSU-FPOVZHCZSA-N	0	3	491.301	4.140	50	5		JIBAHN
O=[N+]([O-])c1ccc(-n2c(O)c3c(-c4ccc(Br)cc4)nn(-c4ccccc4)c3c2O)cc1	ZINC000101070635	569781263	/nfs/dbraw/zinc/78/12/63/569781263.db2.gz	GCJGOOWWYFJDCR-FPOVZHCZSA-N	0	3	491.301	4.140	50	5		JIBAHN
O=C1C2ON(c3ccc(Cl)cc3)[C@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1	ZINC000229968569	570042796	/nfs/dbraw/zinc/04/27/96/570042796.db2.gz	NHZSTDKVUILCCA-NJDAHSKKSA-N	0	3	494.847	4.208	50	5		JIBAHN
O=C1C2ON(c3ccc(Cl)cc3)[C@@H](c3cccs3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	ZINC000102862280	130334606	/nfs/dbraw/zinc/33/46/06/130334606.db2.gz	YTBKTEVAVYLOSN-CEXWTWQISA-N	0	3	455.879	4.361	50	5		JIBAHN
CCN(CC)CCn1c(=O)c2sc3nc(C)cc(COC)c3c2nc1-c1ccccc1[N+](=O)[O-]	ZINC000012411649	520713048	/nfs/dbraw/zinc/71/30/48/520713048.db2.gz	DOEGCHKTTJEDCP-UHFFFAOYSA-N	0	3	481.578	4.378	50	5		JIBAHN
CCN(CC)CCn1c(=O)c2sc3nc(C)cc(COC)c3c2nc1-c1ccc([N+](=O)[O-])cc1	ZINC000012411646	520713404	/nfs/dbraw/zinc/71/34/04/520713404.db2.gz	SVVRQEIKBTVUFC-UHFFFAOYSA-N	0	3	481.578	4.378	50	5		JIBAHN
COc1ccc([C@@H]2N(c3ccccc3)OC3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@]32C)cc1	ZINC000009334838	555102198	/nfs/dbraw/zinc/10/21/98/555102198.db2.gz	IFZCGEDPQUXAFJ-FBLLAGFSSA-N	0	3	459.458	4.045	50	5		JIBAHN
CCN(CC)[C@H](CNC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1)c1cccc(OC)c1	ZINC000011381402	555776364	/nfs/dbraw/zinc/77/63/64/555776364.db2.gz	VDOUXQBCXWVVKL-XMMPIXPASA-N	0	3	479.581	4.278	50	5		JIBAHN
COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccc([N+](=O)[O-])cc2)ccc1O	ZINC000137721196	569865125	/nfs/dbraw/zinc/86/51/25/569865125.db2.gz	JOMCFRDCHSYCOG-BHDDXSALSA-N	0	3	495.875	4.014	50	5		JIBAHN
COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2ccc([N+](=O)[O-])cc2)ccc1O	ZINC000137721196	569865126	/nfs/dbraw/zinc/86/51/26/569865126.db2.gz	JOMCFRDCHSYCOG-BHDDXSALSA-N	0	3	495.875	4.014	50	5		JIBAHN
O=C1C2ON(c3ccc(Cl)cc3)[C@H](c3cccs3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	ZINC000229968872	570042828	/nfs/dbraw/zinc/04/28/28/570042828.db2.gz	YTBKTEVAVYLOSN-IPMKNSEASA-N	0	3	455.879	4.361	50	5		JIBAHN
Cc1nnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3C2c2cccc([N+](=O)[O-])c2)s1	ZINC000001854009	194150078	/nfs/dbraw/zinc/15/00/78/194150078.db2.gz	SBKJPVPBIAQBJD-MRXNPFEDSA-N	0	3	454.851	4.264	50	5		JIBAHN
COc1cc([C@H]2C([N+](=O)[O-])[C@@H]3C=Cc4ccccc4N3[C@H]2C(=O)c2cccc([N+](=O)[O-])c2)ccc1O	ZINC000016039151	556120912	/nfs/dbraw/zinc/12/09/12/556120912.db2.gz	DMYBEYYSUCWYDA-WAABAYLZSA-N	0	3	487.468	4.205	50	5		JIBAHN
O=C1C2ON(c3ccc(Cl)cc3)[C@@H](c3ccc(F)cc3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	ZINC000100625351	569765696	/nfs/dbraw/zinc/76/56/96/569765696.db2.gz	MUBGMWLUYWCMQE-ACRUOGEOSA-N	0	3	467.840	4.438	50	5		JIBAHN
COc1cccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)c1	ZINC000101094956	569782336	/nfs/dbraw/zinc/78/23/36/569782336.db2.gz	TVXUPODSUZCLEI-BDTNDASRSA-N	0	3	479.876	4.308	50	5		JIBAHN
CCOc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccccc1[N+](=O)[O-]	ZINC000229926305	570042316	/nfs/dbraw/zinc/04/23/16/570042316.db2.gz	WGZWDBGGJLQTEJ-YTFSRNRJSA-N	0	3	459.458	4.045	50	5		JIBAHN
CCOc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccccc3[N+](=O)[O-])[C@@H]2C1=O	ZINC000229926305	570042318	/nfs/dbraw/zinc/04/23/18/570042318.db2.gz	WGZWDBGGJLQTEJ-YTFSRNRJSA-N	0	3	459.458	4.045	50	5		JIBAHN
O=C1C2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3Cl)[C@H]2C(=O)N1c1ccc(F)cc1	ZINC000245247814	570059450	/nfs/dbraw/zinc/05/94/50/570059450.db2.gz	XUFBQHDQWQSUOO-NJDAHSKKSA-N	0	3	467.840	4.438	50	5		JIBAHN
CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc([N+](=O)[O-])cc4)[C@H]3C2=O)cc1	ZINC000245310709	570063220	/nfs/dbraw/zinc/06/32/20/570063220.db2.gz	KCPCMULNQZKOGI-WXFUMESZSA-N	0	3	473.485	4.435	50	5		JIBAHN
COc1cc([C@H]2C([N+](=O)[O-])[C@@H]3C=Cc4ccccc4N3[C@H]2C(=O)c2cccc([N+](=O)[O-])c2)ccc1O	ZINC000248124433	570074643	/nfs/dbraw/zinc/07/46/43/570074643.db2.gz	DMYBEYYSUCWYDA-MNPDLOSFSA-N	0	3	487.468	4.205	50	5		JIBAHN
COc1cccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@H](c4cccc([N+](=O)[O-])c4)[C@H]3C2=O)c1	ZINC000248122552	570074699	/nfs/dbraw/zinc/07/46/99/570074699.db2.gz	GBYKXNJAMLIMQC-YPAWHYETSA-N	0	3	479.876	4.308	50	5		JIBAHN
O=C(CC1N=C2c3ccccc3N=C(SCc3ccc([N+](=O)[O-])cc3)N2C1=O)NCc1ccccc1	ZINC000002968182	194186273	/nfs/dbraw/zinc/18/62/73/194186273.db2.gz	KAIJPBXTTMLGTB-QFIPXVFZSA-N	0	3	499.552	4.193	50	5		JIBAHN
CCc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000018099679	556287342	/nfs/dbraw/zinc/28/73/42/556287342.db2.gz	INKGUAIAJDNUEY-ZLNRFVROSA-N	0	3	461.449	4.347	50	5		JIBAHN
CN1CCN(CCCCNc2ccc(C(=O)Nc3ccc4ccccc4c3)cc2[N+](=O)[O-])CC1	ZINC000029619480	556354257	/nfs/dbraw/zinc/35/42/57/556354257.db2.gz	PIFWCWIZUOAQBU-UHFFFAOYSA-N	0	3	461.566	4.440	50	5		JIBAHN
COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1ccc(OC)c(Cn2nc(C)c([N+](=O)[O-])c2C)c1	ZINC000032109687	556419822	/nfs/dbraw/zinc/41/98/22/556419822.db2.gz	GLKBBIRRDHUILJ-HSZRJFAPSA-N	0	3	461.522	4.190	50	5	biogenic	JIBAHN
Cc1cc(=O)c(C(=O)Nc2ccc(CN3CCCC[C@H]3C)cc2)nn1-c1ccccc1[N+](=O)[O-]	ZINC000040119468	569816615	/nfs/dbraw/zinc/81/66/15/569816615.db2.gz	FZVBZADPDLZBEA-QGZVFWFLSA-N	0	3	461.522	4.076	50	5		JIBAHN
O=C1C2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc(Br)cc1	ZINC000102757992	569821489	/nfs/dbraw/zinc/82/14/89/569821489.db2.gz	WBNRSNDIXOEGFN-PCCBWWKXSA-N	0	3	494.301	4.408	50	5		JIBAHN
O=C1C2ON(c3ccccc3)[C@@H](c3cccc(Br)c3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	ZINC000137612094	569865035	/nfs/dbraw/zinc/86/50/35/569865035.db2.gz	FUSSFLYMQUTXSK-PCCBWWKXSA-N	0	3	494.301	4.408	50	5		JIBAHN
O=C1C2ON(c3ccccc3)[C@@H](c3cc([N+](=O)[O-])ccc3Cl)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	ZINC000137913468	569865480	/nfs/dbraw/zinc/86/54/80/569865480.db2.gz	BZSCIBJFJDDIMP-PCCBWWKXSA-N	0	3	494.847	4.208	50	5		JIBAHN
O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Br)cc3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	ZINC000138771278	569866380	/nfs/dbraw/zinc/86/63/80/569866380.db2.gz	YHLCVUANJFXJPX-PCCBWWKXSA-N	0	3	494.301	4.408	50	5		JIBAHN
COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cc([N+](=O)[O-])ccc4Cl)[C@@H]3C2=O)c1	ZINC000229903846	570042150	/nfs/dbraw/zinc/04/21/50/570042150.db2.gz	WFWHOMVDKSSNJY-BHDDXSALSA-N	0	3	479.876	4.308	50	5		JIBAHN
O=C1[C@@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@@H]2c1cc([N+](=O)[O-])ccc1Cl	ZINC000229945781	570042577	/nfs/dbraw/zinc/04/25/77/570042577.db2.gz	IKRQVWJBYZXCQS-PWRODBHTSA-N	0	3	467.840	4.438	50	5		JIBAHN
O=C1C2ON(c3ccccc3)[C@H](c3cc([N+](=O)[O-])ccc3Cl)[C@@H]2C(=O)N1c1ccc(F)cc1	ZINC000229945781	570042579	/nfs/dbraw/zinc/04/25/79/570042579.db2.gz	IKRQVWJBYZXCQS-PWRODBHTSA-N	0	3	467.840	4.438	50	5		JIBAHN
COc1ccc([C@@H]2N(c3ccccc3)OC3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@]32C)cc1	ZINC000239310215	570050655	/nfs/dbraw/zinc/05/06/55/570050655.db2.gz	IFZCGEDPQUXAFJ-WRALFONMSA-N	0	3	459.458	4.045	50	5		JIBAHN
CCOC(=O)C1=C(c2ccccc2)NC(=N)N[C@@H]1c1ccc(Oc2ccc(OC)cc2)c([N+](=O)[O-])c1	ZINC000012641757	195071425	/nfs/dbraw/zinc/07/14/25/195071425.db2.gz	VIWRKTRVHIHSSF-XMMPIXPASA-N	0	3	488.500	4.329	50	5		JIBAHN
Cc1ccc(N2CCN(CCc3nc4cc(NC(=O)c5cccc([N+](=O)[O-])c5)ccc4n3C)CC2)cc1	ZINC000009016022	554866200	/nfs/dbraw/zinc/86/62/00/554866200.db2.gz	TYWMUAVRCGJEHR-UHFFFAOYSA-N	0	3	498.587	4.407	50	5		JIBAHN
Cc1cc(=O)c(C(=O)Nc2ccc(CN3CCCC[C@@H]3C)cc2)nn1-c1ccccc1[N+](=O)[O-]	ZINC000040119467	569816576	/nfs/dbraw/zinc/81/65/76/569816576.db2.gz	FZVBZADPDLZBEA-KRWDZBQOSA-N	0	3	461.522	4.076	50	5		JIBAHN
CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4[N+](=O)[O-])[C@H]3C2=O)cc1	ZINC000102758726	569821536	/nfs/dbraw/zinc/82/15/36/569821536.db2.gz	ZNSABAHOLSKQRR-XPWALMASSA-N	0	3	459.458	4.045	50	5		JIBAHN
CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4[N+](=O)[O-])[C@@H]3C2=O)cc1	ZINC000102760057	569821756	/nfs/dbraw/zinc/82/17/56/569821756.db2.gz	XXIMKWSBZNDJIM-KMDXXIMOSA-N	0	3	473.485	4.435	50	5		JIBAHN
COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(Cl)c([N+](=O)[O-])c4)[C@H]3C2=O)c1	ZINC000102762961	569822512	/nfs/dbraw/zinc/82/25/12/569822512.db2.gz	YBVDIFBWHOGWLW-BHIFYINESA-N	0	3	479.876	4.308	50	5		JIBAHN
COc1cc([C@H]2C([N+](=O)[O-])[C@H]3C=Cc4ccccc4N3[C@H]2C(=O)c2cccc([N+](=O)[O-])c2)ccc1O	ZINC000229858007	570041459	/nfs/dbraw/zinc/04/14/59/570041459.db2.gz	DMYBEYYSUCWYDA-AKAGGGOCSA-N	0	3	487.468	4.205	50	5		JIBAHN
COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(Cl)c([N+](=O)[O-])c4)[C@H]3C2=O)c1	ZINC000245247837	570059488	/nfs/dbraw/zinc/05/94/88/570059488.db2.gz	YBVDIFBWHOGWLW-YPAWHYETSA-N	0	3	479.876	4.308	50	5		JIBAHN
COCCN(C[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@H]1c1cccc(F)c1)C(=O)C(C)C	ZINC000245329605	570066396	/nfs/dbraw/zinc/06/63/96/570066396.db2.gz	TYWXRCUCKPLMIU-GMAHTHKFSA-N	0	3	457.546	4.081	50	5		JIBAHN
COc1ccc([C@H]2C([N+](=O)[O-])[C@@H]3C=Cc4ccccc4N3[C@H]2C(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000248255530	570076989	/nfs/dbraw/zinc/07/69/89/570076989.db2.gz	SEURAFXKYPYKPI-CXSMSNRLSA-N	0	3	471.469	4.499	50	5		JIBAHN