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)c1c2c(sc1N1C(=O)C3ON(c4ccccc4)[C@@H](c4ccc([N+](=O)[O-])cc4)[C@@H]3C1=O)CCCC2	ZINC000000950838	551589275	/nfs/dbraw/zinc/58/92/75/551589275.db2.gz	YOOHXOKNVQNNGU-HJOGWXRNSA-N	0	3	547.589	4.763	40	5		KJBBHN
CCOC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4)[C@H](c4ccc([N+](=O)[O-])cc4)[C@@H]3C1=O)CCCC2	ZINC000001239805	551630579	/nfs/dbraw/zinc/63/05/79/551630579.db2.gz	YOOHXOKNVQNNGU-VXNXHJTFSA-N	0	3	547.589	4.763	40	5		KJBBHN
COc1cc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000001298661	551637685	/nfs/dbraw/zinc/63/76/85/551637685.db2.gz	XDJVBOVYZPVUFC-VABKMULXSA-N	0	3	544.347	4.970	40	5		KJBBHN
COc1cc([C@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000001314398	551639972	/nfs/dbraw/zinc/63/99/72/551639972.db2.gz	SMCKRAPUDIDSSG-QKDODKLFSA-N	0	3	525.517	4.816	40	5		KJBBHN
COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)cc1Br	ZINC000001314469	551639948	/nfs/dbraw/zinc/63/99/48/551639948.db2.gz	KTGJPNGCODAZTE-VABKMULXSA-N	0	3	538.354	4.725	40	5		KJBBHN
COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)cc1Br	ZINC000001316698	551640663	/nfs/dbraw/zinc/64/06/63/551640663.db2.gz	PQOCXMGKHRLBJX-FKBYEOEOSA-N	0	3	542.317	4.556	40	5		KJBBHN
Cc1ccccc1N1C(=O)C2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@H]2C1=O	ZINC000001879290	551723866	/nfs/dbraw/zinc/72/38/66/551723866.db2.gz	CSMNRWJAVWAZLV-FCEKVYKBSA-N	0	3	585.594	4.722	40	5		KJBBHN
Cc1cccc(N2C(=O)C3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(OS(=O)(=O)c5ccccc5)cc4)[C@H]3C2=O)c1	ZINC000001898595	551729574	/nfs/dbraw/zinc/72/95/74/551729574.db2.gz	FIXGWXNWRWCBJM-FCEKVYKBSA-N	0	3	585.594	4.722	40	5		KJBBHN
Cc1ccc(N2C(=O)C3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(OS(=O)(=O)c5ccccc5)cc4)[C@H]3C2=O)cc1	ZINC000001899138	551729819	/nfs/dbraw/zinc/72/98/19/551729819.db2.gz	DVCZDRCEAYRFBE-FCEKVYKBSA-N	0	3	585.594	4.722	40	5		KJBBHN
CN(C)c1ccc2c(c1)nc1cc(N(C)C)ccc1c2SCC(=O)Nc1ccc(NS(C)(=O)=O)cc1	ZINC000005485908	552502993	/nfs/dbraw/zinc/50/29/93/552502993.db2.gz	FQPPFWRDHMBAPF-UHFFFAOYSA-N	0	3	523.684	4.622	40	5		KJBBHN
CCOC(=O)c1c(C)c(C)sc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccc([N+](=O)[O-])cc3)[C@@H]2C1=O	ZINC000008741579	553132876	/nfs/dbraw/zinc/13/28/76/553132876.db2.gz	NILNZZSEIZWHAH-BDTNDASRSA-N	0	3	521.551	4.501	40	5		KJBBHN
CCOC(=O)c1c(C)c(C)sc1N1C(=O)C2ON(c3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C1=O	ZINC000008741592	553132858	/nfs/dbraw/zinc/13/28/58/553132858.db2.gz	ULOLGBZDOHNAAX-BDTNDASRSA-N	0	3	521.551	4.501	40	5		KJBBHN
CC(=O)[C@H]1C(C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N21	ZINC000009349768	553244953	/nfs/dbraw/zinc/24/49/53/553244953.db2.gz	ZMDOZOHHCXQZTJ-YKKMPQLRSA-N	0	3	513.937	4.810	40	5		KJBBHN
COc1ccccc1N1C(=O)C2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccc(Cl)cc3Cl)[C@@H]2C1=O	ZINC000009359009	553247936	/nfs/dbraw/zinc/24/79/36/553247936.db2.gz	HXEWDDRSXPSICH-BDTNDASRSA-N	0	3	514.321	4.961	40	5		KJBBHN
CC(=O)[C@H]1C(C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N21	ZINC000009460893	553266918	/nfs/dbraw/zinc/26/69/18/553266918.db2.gz	ZMDOZOHHCXQZTJ-MEWSVHOLSA-N	0	3	513.937	4.810	40	5		KJBBHN
CCOC(=O)c1c(C)c(C)sc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3cccc([N+](=O)[O-])c3)[C@H]2C1=O	ZINC000012017339	553350267	/nfs/dbraw/zinc/35/02/67/553350267.db2.gz	ULOLGBZDOHNAAX-FSSWDIPSSA-N	0	3	521.551	4.501	40	5		KJBBHN
CCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccccc2)cc1OCC	ZINC000017838018	553600255	/nfs/dbraw/zinc/60/02/55/553600255.db2.gz	JKALMILGQCTTEK-ZNZIZOMTSA-N	0	3	517.538	4.833	40	5		KJBBHN
CCOC(=O)c1c(C)c(C)sc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C1=O	ZINC000017887616	553600337	/nfs/dbraw/zinc/60/03/37/553600337.db2.gz	NILNZZSEIZWHAH-FSSWDIPSSA-N	0	3	521.551	4.501	40	5		KJBBHN
CCCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccccc2)cc1OC	ZINC000018046390	553602046	/nfs/dbraw/zinc/60/20/46/553602046.db2.gz	RXTZBZXMDAUWOR-ZNZIZOMTSA-N	0	3	517.538	4.833	40	5		KJBBHN
COc1ccccc1N1C(=O)C2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccc(Cl)cc3Cl)[C@H]2C1=O	ZINC000018155368	553606533	/nfs/dbraw/zinc/60/65/33/553606533.db2.gz	HXEWDDRSXPSICH-FSSWDIPSSA-N	0	3	514.321	4.961	40	5		KJBBHN
CCc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000097954184	553821889	/nfs/dbraw/zinc/82/18/89/553821889.db2.gz	JXJTWXJZSZYYJA-VABKMULXSA-N	0	3	522.355	4.971	40	5		KJBBHN
O=C(Oc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccccc2)cc1)c1ccccc1	ZINC000097954683	553824634	/nfs/dbraw/zinc/82/46/34/553824634.db2.gz	CULCPBQILUMGDD-QKDODKLFSA-N	0	3	535.512	4.865	40	5		KJBBHN
O=C(Oc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1	ZINC000097954748	553825406	/nfs/dbraw/zinc/82/54/06/553825406.db2.gz	KGBLZUFTTAWBDC-QKDODKLFSA-N	0	3	535.512	4.865	40	5		KJBBHN
COc1ccc(Br)cc1[C@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)C2ON1c1cccc([N+](=O)[O-])c1	ZINC000097954864	553826130	/nfs/dbraw/zinc/82/61/30/553826130.db2.gz	ZHOHUBOBSUQXHY-FKBYEOEOSA-N	0	3	542.317	4.556	40	5		KJBBHN
CCOC(=O)c1c(C)c(C)sc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@@H]2C1=O	ZINC000100766377	554469866	/nfs/dbraw/zinc/46/98/66/554469866.db2.gz	NILNZZSEIZWHAH-FKBYEOEOSA-N	0	3	521.551	4.501	40	5		KJBBHN
CCOC(=O)c1c(C)c(C)sc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C1=O	ZINC000100766380	554469891	/nfs/dbraw/zinc/46/98/91/554469891.db2.gz	NILNZZSEIZWHAH-VSKRKVRLSA-N	0	3	521.551	4.501	40	5		KJBBHN
CCOC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4)[C@@H](c4ccc([N+](=O)[O-])cc4)[C@H]3C1=O)CCCC2	ZINC000100766422	554469912	/nfs/dbraw/zinc/46/99/12/554469912.db2.gz	YOOHXOKNVQNNGU-SGNDLWITSA-N	0	3	547.589	4.763	40	5		KJBBHN
CCOC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4)[C@H](c4ccc([N+](=O)[O-])cc4)[C@H]3C1=O)CCCC2	ZINC000100766430	554469853	/nfs/dbraw/zinc/46/98/53/554469853.db2.gz	YOOHXOKNVQNNGU-SMIHKQSGSA-N	0	3	547.589	4.763	40	5		KJBBHN
CCOC(=O)c1c(C)c(C)sc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C1=O	ZINC000100766483	554470328	/nfs/dbraw/zinc/47/03/28/554470328.db2.gz	ULOLGBZDOHNAAX-FKBYEOEOSA-N	0	3	521.551	4.501	40	5		KJBBHN
CCOC(=O)c1c(C)c(C)sc1N1C(=O)C2ON(c3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@H]2C1=O	ZINC000100766488	554470234	/nfs/dbraw/zinc/47/02/34/554470234.db2.gz	ULOLGBZDOHNAAX-VSKRKVRLSA-N	0	3	521.551	4.501	40	5		KJBBHN
COc1cc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000101097006	554584838	/nfs/dbraw/zinc/58/48/38/554584838.db2.gz	XDJVBOVYZPVUFC-VJBWXMMDSA-N	0	3	544.347	4.970	40	5		KJBBHN
CCc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000101101606	554638889	/nfs/dbraw/zinc/63/88/89/554638889.db2.gz	JXJTWXJZSZYYJA-VJBWXMMDSA-N	0	3	522.355	4.971	40	5		KJBBHN
CCCCOc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccccc2)cc1OC	ZINC000101108143	554640486	/nfs/dbraw/zinc/64/04/86/554640486.db2.gz	RXTZBZXMDAUWOR-GSDHBNRESA-N	0	3	517.538	4.833	40	5		KJBBHN
CCOC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4)[C@@H](c4cccc([N+](=O)[O-])c4)[C@H]3C1=O)CCCC2	ZINC000101125580	554644878	/nfs/dbraw/zinc/64/48/78/554644878.db2.gz	RKULNISVQLWWTA-SGNDLWITSA-N	0	3	547.589	4.763	40	5		KJBBHN
CCOC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4)[C@@H](c4cccc([N+](=O)[O-])c4)[C@@H]3C1=O)CCCC2	ZINC000101125586	554644835	/nfs/dbraw/zinc/64/48/35/554644835.db2.gz	RKULNISVQLWWTA-HJOGWXRNSA-N	0	3	547.589	4.763	40	5		KJBBHN
CCOC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4)[C@H](c4cccc([N+](=O)[O-])c4)[C@H]3C1=O)CCCC2	ZINC000101125589	554644822	/nfs/dbraw/zinc/64/48/22/554644822.db2.gz	RKULNISVQLWWTA-SMIHKQSGSA-N	0	3	547.589	4.763	40	5		KJBBHN
CCOC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4)[C@H](c4cccc([N+](=O)[O-])c4)[C@@H]3C1=O)CCCC2	ZINC000101125592	554644868	/nfs/dbraw/zinc/64/48/68/554644868.db2.gz	RKULNISVQLWWTA-VXNXHJTFSA-N	0	3	547.589	4.763	40	5		KJBBHN
O=C(Oc1ccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccccc2)cc1)c1ccccc1	ZINC000101152747	554657798	/nfs/dbraw/zinc/65/77/98/554657798.db2.gz	CULCPBQILUMGDD-PVHODMMVSA-N	0	3	535.512	4.865	40	5		KJBBHN
O=C(Oc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1	ZINC000101161849	554659770	/nfs/dbraw/zinc/65/97/70/554659770.db2.gz	KGBLZUFTTAWBDC-PVHODMMVSA-N	0	3	535.512	4.865	40	5		KJBBHN
CCCOc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccccc2)cc1OCC	ZINC000101173430	554662243	/nfs/dbraw/zinc/66/22/43/554662243.db2.gz	JKALMILGQCTTEK-GSDHBNRESA-N	0	3	517.538	4.833	40	5		KJBBHN
COc1cc([C@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000101174731	554662442	/nfs/dbraw/zinc/66/24/42/554662442.db2.gz	SMCKRAPUDIDSSG-PVHODMMVSA-N	0	3	525.517	4.816	40	5		KJBBHN
COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)cc1Br	ZINC000101176766	554664538	/nfs/dbraw/zinc/66/45/38/554664538.db2.gz	KTGJPNGCODAZTE-VJBWXMMDSA-N	0	3	538.354	4.725	40	5		KJBBHN
COc1ccc(Br)cc1[C@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)C2ON1c1cccc([N+](=O)[O-])c1	ZINC000101181468	554667106	/nfs/dbraw/zinc/66/71/06/554667106.db2.gz	ZHOHUBOBSUQXHY-FSSWDIPSSA-N	0	3	542.317	4.556	40	5		KJBBHN
COc1ccccc1N1C(=O)C2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccc(Cl)cc3Cl)[C@@H]2C1=O	ZINC000101188234	554669848	/nfs/dbraw/zinc/66/98/48/554669848.db2.gz	HXEWDDRSXPSICH-FKBYEOEOSA-N	0	3	514.321	4.961	40	5		KJBBHN
COc1ccccc1N1C(=O)C2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccc(Cl)cc3Cl)[C@H]2C1=O	ZINC000101188238	554669835	/nfs/dbraw/zinc/66/98/35/554669835.db2.gz	HXEWDDRSXPSICH-VSKRKVRLSA-N	0	3	514.321	4.961	40	5		KJBBHN
COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)cc1Br	ZINC000101200146	554672548	/nfs/dbraw/zinc/67/25/48/554672548.db2.gz	PQOCXMGKHRLBJX-FSSWDIPSSA-N	0	3	542.317	4.556	40	5		KJBBHN
COc1ccc([C@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)c(OC)c1OC	ZINC000101672783	554826281	/nfs/dbraw/zinc/82/62/81/554826281.db2.gz	TXOPZUAEOPGLDM-QQNWGBJXSA-N	0	3	555.543	4.825	40	5		KJBBHN
COc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)c(OC)c1OC	ZINC000101672790	554826357	/nfs/dbraw/zinc/82/63/57/554826357.db2.gz	TXOPZUAEOPGLDM-VBOOUTDYSA-N	0	3	555.543	4.825	40	5		KJBBHN
Cc1ccccc1N1C(=O)C2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@H]2C1=O	ZINC000102548055	554960247	/nfs/dbraw/zinc/96/02/47/554960247.db2.gz	CSMNRWJAVWAZLV-PKTNWEFCSA-N	0	3	585.594	4.722	40	5		KJBBHN
Cc1ccccc1N1C(=O)C2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@@H]2C1=O	ZINC000102548058	554960306	/nfs/dbraw/zinc/96/03/06/554960306.db2.gz	CSMNRWJAVWAZLV-KCHLEUMXSA-N	0	3	585.594	4.722	40	5		KJBBHN
Cc1ccccc1N1C(=O)C2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@@H]2C1=O	ZINC000102548063	554960181	/nfs/dbraw/zinc/96/01/81/554960181.db2.gz	CSMNRWJAVWAZLV-IARZGTGTSA-N	0	3	585.594	4.722	40	5		KJBBHN
O=C1C2ON(c3ccccc3)[C@@H](c3cc4ccccc4nc3Cl)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	ZINC000102735981	555026214	/nfs/dbraw/zinc/02/62/14/555026214.db2.gz	KARGIIANLDRNMK-VABKMULXSA-N	0	3	500.898	4.848	40	5		KJBBHN
O=C1C2ON(c3ccccc3)[C@@H](c3cc4ccccc4nc3Cl)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	ZINC000102735984	555026161	/nfs/dbraw/zinc/02/61/61/555026161.db2.gz	KARGIIANLDRNMK-VJBWXMMDSA-N	0	3	500.898	4.848	40	5		KJBBHN
COc1cc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000102739120	555027685	/nfs/dbraw/zinc/02/76/85/555027685.db2.gz	XDJVBOVYZPVUFC-XPWALMASSA-N	0	3	544.347	4.970	40	5		KJBBHN
CCc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000102740848	555029771	/nfs/dbraw/zinc/02/97/71/555029771.db2.gz	JXJTWXJZSZYYJA-XPWALMASSA-N	0	3	522.355	4.971	40	5		KJBBHN
CCCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccccc2)cc1OC	ZINC000102742446	555031717	/nfs/dbraw/zinc/03/17/17/555031717.db2.gz	RXTZBZXMDAUWOR-UODIDJSMSA-N	0	3	517.538	4.833	40	5		KJBBHN
O=C(Oc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1	ZINC000102756012	555048586	/nfs/dbraw/zinc/04/85/86/555048586.db2.gz	KGBLZUFTTAWBDC-KWXIBIRDSA-N	0	3	535.512	4.865	40	5		KJBBHN
CCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccccc2)cc1OCC	ZINC000102758089	555050265	/nfs/dbraw/zinc/05/02/65/555050265.db2.gz	JKALMILGQCTTEK-UODIDJSMSA-N	0	3	517.538	4.833	40	5		KJBBHN
COc1cc([C@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000102758313	555050282	/nfs/dbraw/zinc/05/02/82/555050282.db2.gz	SMCKRAPUDIDSSG-KWXIBIRDSA-N	0	3	525.517	4.816	40	5		KJBBHN
COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)cc1Br	ZINC000102758669	555050720	/nfs/dbraw/zinc/05/07/20/555050720.db2.gz	KTGJPNGCODAZTE-XPWALMASSA-N	0	3	538.354	4.725	40	5		KJBBHN
COc1ccc(Br)cc1[C@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)C2ON1c1cccc([N+](=O)[O-])c1	ZINC000102759431	555051234	/nfs/dbraw/zinc/05/12/34/555051234.db2.gz	ZHOHUBOBSUQXHY-BHIFYINESA-N	0	3	542.317	4.556	40	5		KJBBHN
O=C1C2ON(c3ccccc3)[C@H](c3ccc(F)c(Br)c3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	ZINC000102759788	555051729	/nfs/dbraw/zinc/05/17/29/555051729.db2.gz	YCWQKBYHWRTJHQ-NJYVYQBISA-N	0	3	512.291	4.548	40	5		KJBBHN
COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)cc1Br	ZINC000102761235	555052374	/nfs/dbraw/zinc/05/23/74/555052374.db2.gz	PQOCXMGKHRLBJX-BHIFYINESA-N	0	3	542.317	4.556	40	5		KJBBHN
Cc1ccc(N2C(=O)C3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(OS(=O)(=O)c5ccccc5)cc4)[C@H]3C2=O)cc1	ZINC000102886769	555117550	/nfs/dbraw/zinc/11/75/50/555117550.db2.gz	DVCZDRCEAYRFBE-PKTNWEFCSA-N	0	3	585.594	4.722	40	5		KJBBHN
Cc1ccc(N2C(=O)C3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(OS(=O)(=O)c5ccccc5)cc4)[C@@H]3C2=O)cc1	ZINC000102886772	555117520	/nfs/dbraw/zinc/11/75/20/555117520.db2.gz	DVCZDRCEAYRFBE-KCHLEUMXSA-N	0	3	585.594	4.722	40	5		KJBBHN
Cc1ccc(N2C(=O)C3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(OS(=O)(=O)c5ccccc5)cc4)[C@@H]3C2=O)cc1	ZINC000102886776	555117578	/nfs/dbraw/zinc/11/75/78/555117578.db2.gz	DVCZDRCEAYRFBE-IARZGTGTSA-N	0	3	585.594	4.722	40	5		KJBBHN
COc1ccc(N2C(=O)C3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@H]3C2=O)cc1	ZINC000102887147	555118133	/nfs/dbraw/zinc/11/81/33/555118133.db2.gz	COHIBGBERYDFRK-PKTNWEFCSA-N	0	3	565.538	4.874	40	5		KJBBHN
COc1ccc(N2C(=O)C3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@@H]3C2=O)cc1	ZINC000102887148	555118260	/nfs/dbraw/zinc/11/82/60/555118260.db2.gz	COHIBGBERYDFRK-KCHLEUMXSA-N	0	3	565.538	4.874	40	5		KJBBHN
COc1ccc(N2C(=O)C3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@H]3C2=O)cc1	ZINC000102887151	555118277	/nfs/dbraw/zinc/11/82/77/555118277.db2.gz	COHIBGBERYDFRK-FCEKVYKBSA-N	0	3	565.538	4.874	40	5		KJBBHN
COc1ccc(N2C(=O)C3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@@H]3C2=O)cc1	ZINC000102887154	555118271	/nfs/dbraw/zinc/11/82/71/555118271.db2.gz	COHIBGBERYDFRK-IARZGTGTSA-N	0	3	565.538	4.874	40	5		KJBBHN
O=C(Oc1ccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1	ZINC000102889685	555124251	/nfs/dbraw/zinc/12/42/51/555124251.db2.gz	HUFMLFFVGLRPHU-PVHODMMVSA-N	0	3	580.509	4.773	40	5		KJBBHN
O=C(Oc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1	ZINC000102889690	555124158	/nfs/dbraw/zinc/12/41/58/555124158.db2.gz	HUFMLFFVGLRPHU-QKDODKLFSA-N	0	3	580.509	4.773	40	5		KJBBHN
COc1cc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1	ZINC000102893273	555130543	/nfs/dbraw/zinc/13/05/43/555130543.db2.gz	NACQJOHCJVBLGN-PKTNWEFCSA-N	0	3	565.538	4.874	40	5		KJBBHN
COc1cc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1	ZINC000102893278	555130623	/nfs/dbraw/zinc/13/06/23/555130623.db2.gz	NACQJOHCJVBLGN-KCHLEUMXSA-N	0	3	565.538	4.874	40	5		KJBBHN
CCCCOc1ccc(N2C(=O)C3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(OC)c(OC)c4OC)[C@H]3C2=O)cc1	ZINC000102893309	555130552	/nfs/dbraw/zinc/13/05/52/555130552.db2.gz	XEPTUFMXUZSMFQ-QQNWGBJXSA-N	0	3	577.590	4.851	40	5		KJBBHN
CCCCOc1ccc(N2C(=O)C3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(OC)c(OC)c4OC)[C@@H]3C2=O)cc1	ZINC000102893310	555130575	/nfs/dbraw/zinc/13/05/75/555130575.db2.gz	XEPTUFMXUZSMFQ-VBOOUTDYSA-N	0	3	577.590	4.851	40	5		KJBBHN
CCCCOc1ccc(N2C(=O)C3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(OC)c(OC)c4OC)[C@H]3C2=O)cc1	ZINC000102893312	555130620	/nfs/dbraw/zinc/13/06/20/555130620.db2.gz	XEPTUFMXUZSMFQ-SKVJQKLOSA-N	0	3	577.590	4.851	40	5		KJBBHN
CCCCOc1ccc(N2C(=O)C3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(OC)c(OC)c4OC)[C@@H]3C2=O)cc1	ZINC000102893315	555130525	/nfs/dbraw/zinc/13/05/25/555130525.db2.gz	XEPTUFMXUZSMFQ-OARDWFSCSA-N	0	3	577.590	4.851	40	5		KJBBHN
COc1cc([C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1	ZINC000102895219	555133768	/nfs/dbraw/zinc/13/37/68/555133768.db2.gz	JJWRMUDJDIYGKZ-PKTNWEFCSA-N	0	3	565.538	4.874	40	5		KJBBHN
COc1cc([C@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1	ZINC000102895222	555133711	/nfs/dbraw/zinc/13/37/11/555133711.db2.gz	JJWRMUDJDIYGKZ-KCHLEUMXSA-N	0	3	565.538	4.874	40	5		KJBBHN
CCOc1ccc(N2C(=O)C3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(OC)c(Br)c4)[C@H]3C2=O)cc1	ZINC000102895630	555134913	/nfs/dbraw/zinc/13/49/13/555134913.db2.gz	ZVDLMIMHKPDZTD-SGNDLWITSA-N	0	3	568.380	4.816	40	5		KJBBHN
CCOc1ccc(N2C(=O)C3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(OC)c(Br)c4)[C@@H]3C2=O)cc1	ZINC000102895633	555134875	/nfs/dbraw/zinc/13/48/75/555134875.db2.gz	ZVDLMIMHKPDZTD-HJOGWXRNSA-N	0	3	568.380	4.816	40	5		KJBBHN
CCOc1ccc(N2C(=O)C3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(OC)c(Br)c4)[C@H]3C2=O)cc1	ZINC000102895636	555134982	/nfs/dbraw/zinc/13/49/82/555134982.db2.gz	ZVDLMIMHKPDZTD-SMIHKQSGSA-N	0	3	568.380	4.816	40	5		KJBBHN
CCOc1ccc(N2C(=O)C3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(OC)c(Br)c4)[C@@H]3C2=O)cc1	ZINC000102895637	555134968	/nfs/dbraw/zinc/13/49/68/555134968.db2.gz	ZVDLMIMHKPDZTD-VXNXHJTFSA-N	0	3	568.380	4.816	40	5		KJBBHN
Cc1cccc(N2C(=O)C3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(OS(=O)(=O)c5ccccc5)cc4)[C@H]3C2=O)c1	ZINC000102899258	555138748	/nfs/dbraw/zinc/13/87/48/555138748.db2.gz	FIXGWXNWRWCBJM-PKTNWEFCSA-N	0	3	585.594	4.722	40	5		KJBBHN
Cc1cccc(N2C(=O)C3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(OS(=O)(=O)c5ccccc5)cc4)[C@@H]3C2=O)c1	ZINC000102899259	555138739	/nfs/dbraw/zinc/13/87/39/555138739.db2.gz	FIXGWXNWRWCBJM-KCHLEUMXSA-N	0	3	585.594	4.722	40	5		KJBBHN
Cc1cccc(N2C(=O)C3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(OS(=O)(=O)c5ccccc5)cc4)[C@@H]3C2=O)c1	ZINC000102899261	555138879	/nfs/dbraw/zinc/13/88/79/555138879.db2.gz	FIXGWXNWRWCBJM-IARZGTGTSA-N	0	3	585.594	4.722	40	5		KJBBHN
O=C(NC(=S)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000105318479	571400815	/nfs/dbraw/zinc/40/08/15/571400815.db2.gz	JIDWWMYPGPUPMR-UHFFFAOYSA-N	0	3	544.681	4.644	40	5		KJBBHN
COc1ccc([C@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)c(OC)c1OC	ZINC000105990209	571410053	/nfs/dbraw/zinc/41/00/53/571410053.db2.gz	TXOPZUAEOPGLDM-CERRFVOPSA-N	0	3	555.543	4.825	40	5		KJBBHN
COC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4C)[C@@H](c4ccc([N+](=O)[O-])cc4)[C@@H]3C1=O)CCCC2	ZINC000169690229	571558430	/nfs/dbraw/zinc/55/84/30/571558430.db2.gz	NOPYBGDZQFYFSS-HJOGWXRNSA-N	0	3	547.589	4.681	40	5		KJBBHN
CCOc1cc(C=Cc2nc(O)c([N+](=O)[O-])c(O)n2)ccc1OCC(=O)Nc1cccc(Cl)c1Cl	ZINC000408602280	572273281	/nfs/dbraw/zinc/27/32/81/572273281.db2.gz	BHMQLUTVHQHCHF-VQHVLOKHSA-N	0	3	521.313	4.689	40	5		KJBBHN
COc1cc(C=Cc2nc(O)c([N+](=O)[O-])c(O)n2)ccc1OCC(=O)Nc1ccc(Oc2ccccc2)cc1	ZINC000408604448	572273976	/nfs/dbraw/zinc/27/39/76/572273976.db2.gz	JITUBUSXHKBFBB-RIYZIHGNSA-N	0	3	530.493	4.785	40	5		KJBBHN
CCOc1cc(C=Cc2nc(O)c([N+](=O)[O-])c(O)n2)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1	ZINC000408605528	572274470	/nfs/dbraw/zinc/27/44/70/572274470.db2.gz	LWDHPGRMGLEBQS-GQCTYLIASA-N	0	3	521.313	4.689	40	5		KJBBHN