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)[C@@H]1C([O-])=NC(N2CC[NH+](Cc3ccccc3)CC2)=[NH+][C@H]1c1cccc([N+](=O)[O-])c1	ZINC000020675018	195199791	/nfs/dbraw/zinc/19/97/91/195199791.db2.gz	OXUDMFKBWHMRHZ-SFTDATJTSA-N	1	0	465.510	2.119	40	5		JEBBRO
CCOC(=O)C1=C(O)NC(N2CCN(c3ccccc3F)CC2)=[NH+][C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020801304	195226906	/nfs/dbraw/zinc/22/69/06/195226906.db2.gz	RVSQSXOHBCRVNT-PMACEKPBSA-N	1	0	469.473	2.262	40	5		JEBBRO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@@H+]1[C@]21C(=O)Nc2ccc(C)cc21	ZINC000009411169	555178463	/nfs/dbraw/zinc/17/84/63/555178463.db2.gz	UKIMYBMMSAINOY-QJHDXQOESA-N	1	0	462.462	2.343	40	5		JEBBRO
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@@H+]1[C@]21C(=O)Nc2c1cccc2C	ZINC000016001947	556107327	/nfs/dbraw/zinc/10/73/27/556107327.db2.gz	PENSRQGJEMXDOL-BKJGLDIHSA-N	1	0	462.462	2.343	40	5		JEBBRO
CCOC(=O)[C@H]1C([O-])=NC(N2CC[NH+](Cc3ccccc3)CC2)=[NH+][C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000020675009	195199704	/nfs/dbraw/zinc/19/97/04/195199704.db2.gz	OXUDMFKBWHMRHZ-NHCUHLMSSA-N	1	0	465.510	2.119	40	5		JEBBRO
CCOC(=O)[C@@H]1C([O-])=NC(N2CC[NH+](Cc3ccccc3)CC2)=[NH+][C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020801167	195226873	/nfs/dbraw/zinc/22/68/73/195226873.db2.gz	HCZUQGXMVNWSNX-LEWJYISDSA-N	1	0	465.510	2.119	40	5		JEBBRO
CSCC[C@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12	ZINC000016009664	556108300	/nfs/dbraw/zinc/10/83/00/556108300.db2.gz	RYTYBAMWBXKNBE-MSQSPTIYSA-N	1	0	452.492	2.273	40	5		JEBBRO
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@]1([NH2+][C@H]2C(C)C)C(=O)Nc2ccccc21	ZINC000016010297	556109803	/nfs/dbraw/zinc/10/98/03/556109803.db2.gz	KFTWQOYSBQMODJ-XQQXVUDOSA-N	1	0	450.451	2.184	40	5		JEBBRO
CSCC[C@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12	ZINC000026946648	556266223	/nfs/dbraw/zinc/26/62/23/556266223.db2.gz	JWEZFCMKECGVBU-QLDGJZPUSA-N	1	0	452.492	2.273	40	5		JEBBRO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C(C)C)[NH2+][C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O	ZINC000101807841	569805326	/nfs/dbraw/zinc/80/53/26/569805326.db2.gz	GPOWBDWNQIAOEA-KCESLBEFSA-N	1	0	450.451	2.184	40	5		JEBBRO
COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1	ZINC000408573059	570205108	/nfs/dbraw/zinc/20/51/08/570205108.db2.gz	LLVSBFARPKDMAR-UHFFFAOYSA-N	1	0	483.525	2.222	40	5		JEBBRO
C[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)cc2)CC1	ZINC000022741936	555949535	/nfs/dbraw/zinc/94/95/35/555949535.db2.gz	YKQQHBXMUQKULV-UHFFFAOYSA-N	1	0	484.582	2.310	40	5		JEBBRO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3CCC[N@@H+]3[C@]3(C(=O)Nc4ccc(C)cc43)[C@H]2C1=O	ZINC000015999008	556103971	/nfs/dbraw/zinc/10/39/71/556103971.db2.gz	UKIMYBMMSAINOY-YBNJHJSASA-N	1	0	462.462	2.343	40	5		JEBBRO
COc1cc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCC(N)=O	ZINC000016195359	556128855	/nfs/dbraw/zinc/12/88/55/556128855.db2.gz	PAHARNDYIGNRLO-UHFFFAOYSA-N	1	0	453.293	2.432	40	5		JEBBRO
CCOC(=O)[C@H]1C([O-])=NC(N2CC[NH+](Cc3ccccc3)CC2)=[NH+][C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020801171	195226704	/nfs/dbraw/zinc/22/67/04/195226704.db2.gz	HCZUQGXMVNWSNX-RTWAWAEBSA-N	1	0	465.510	2.119	40	5		JEBBRO
COc1cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](C(C)C)[NH2+][C@@]32C(=O)Nc3ccccc32)c(C)cc1[N+](=O)[O-]	ZINC000102889474	130371151	/nfs/dbraw/zinc/37/11/51/130371151.db2.gz	GJSJKSKMEGFCOS-PWSZPPJVSA-N	1	0	464.478	2.493	40	5		JEBBRO
CSCC[C@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12	ZINC000009319118	555093587	/nfs/dbraw/zinc/09/35/87/555093587.db2.gz	JWEZFCMKECGVBU-MSQSPTIYSA-N	1	0	452.492	2.273	40	5		JEBBRO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1([NH2+][C@H]2CCSC)C(=O)Nc2ccccc21	ZINC000035851541	569716431	/nfs/dbraw/zinc/71/64/31/569716431.db2.gz	SVAYYPFVOXXCKI-HTIQSUCMSA-N	1	0	482.518	2.282	40	5		JEBBRO
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H]3CCC[N@@H+]3[C@]3(C(=O)Nc4c3cccc4C)[C@H]2C1=O	ZINC000103552304	569836093	/nfs/dbraw/zinc/83/60/93/569836093.db2.gz	PENSRQGJEMXDOL-JQGROFRJSA-N	1	0	462.462	2.343	40	5		JEBBRO
COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=S)NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1	ZINC000408574574	570205472	/nfs/dbraw/zinc/20/54/72/570205472.db2.gz	SBMPOOCXGJFKOU-UHFFFAOYSA-N	1	0	487.538	2.269	40	5		JEBBRO
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C(C)C)[NH2+][C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O	ZINC000102549281	569814200	/nfs/dbraw/zinc/81/42/00/569814200.db2.gz	KFTWQOYSBQMODJ-KCESLBEFSA-N	1	0	450.451	2.184	40	5		JEBBRO
Cn1c2cc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c(N3CC[NH+](C)CC3)cc2n(C)c1=O	ZINC000408535699	570190018	/nfs/dbraw/zinc/19/00/18/570190018.db2.gz	ZTMURKXCWOPCES-RMKNXTFCSA-N	1	0	450.499	2.189	40	5		JEBBRO
CCOC(=O)[C@H]1C([O-])=NC(N2CC[NH+](Cc3ccccc3)CC2)=[NH+][C@H]1c1cccc([N+](=O)[O-])c1	ZINC000020675015	195199872	/nfs/dbraw/zinc/19/98/72/195199872.db2.gz	OXUDMFKBWHMRHZ-RTWAWAEBSA-N	1	0	465.510	2.119	40	5		JEBBRO
COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])c1	ZINC000021595851	555854004	/nfs/dbraw/zinc/85/40/04/555854004.db2.gz	PVPFCGLOVDYCFH-UHFFFAOYSA-N	1	0	457.512	2.260	40	5		JEBBRO
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@@H+]1[C@@]21C(=O)Nc2ccc(C)cc21	ZINC000035844172	569714830	/nfs/dbraw/zinc/71/48/30/569714830.db2.gz	UZULCSSVBFAWMU-ZHNFZGJGSA-N	1	0	462.462	2.343	40	5		JEBBRO
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H]3CCC[N@@H+]3[C@]3(C(=O)Nc4ccc(C)cc43)[C@H]2C1=O	ZINC000104014704	569839892	/nfs/dbraw/zinc/83/98/92/569839892.db2.gz	UZULCSSVBFAWMU-JSAFQYNZSA-N	1	0	462.462	2.343	40	5		JEBBRO
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](C(C)C)[NH2+][C@]21C(=O)Nc2ccccc21	ZINC000016010296	556109739	/nfs/dbraw/zinc/10/97/39/556109739.db2.gz	KFTWQOYSBQMODJ-XWQURZDVSA-N	1	0	450.451	2.184	40	5		JEBBRO
COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)c1	ZINC000408572543	570204964	/nfs/dbraw/zinc/20/49/64/570204964.db2.gz	JRTZTZYXSSSJAS-UHFFFAOYSA-N	1	0	457.512	2.260	40	5		JEBBRO
COc1cc(N2C(=O)[C@H]3[C@@H](C(C)C)[NH2+][C@@]4(C(=O)Nc5ccccc54)[C@@H]3C2=O)c(C)cc1[N+](=O)[O-]	ZINC000102889472	130370996	/nfs/dbraw/zinc/37/09/96/130370996.db2.gz	GJSJKSKMEGFCOS-ZBNTXBBCSA-N	1	0	464.478	2.493	40	5		JEBBRO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3CCC[N@@H+]3[C@@]3(C(=O)Nc4ccc(C)cc43)[C@H]2C1=O	ZINC000009361427	555123957	/nfs/dbraw/zinc/12/39/57/555123957.db2.gz	UKIMYBMMSAINOY-UFRIGAJXSA-N	1	0	462.462	2.343	40	5		JEBBRO
COc1ccc(Cl)cc1N(CC(=O)NCC[NH+](C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000013671357	555562862	/nfs/dbraw/zinc/56/28/62/555562862.db2.gz	DGKLXDNBMZECSH-UHFFFAOYSA-N	1	0	484.962	2.438	40	5		JEBBRO
O=C(Nc1ccc(N2CC[NH2+]CC2)c([N+](=O)[O-])c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1	ZINC000020154308	555673733	/nfs/dbraw/zinc/67/37/33/555673733.db2.gz	MZKDAZLJTGCOFG-UHFFFAOYSA-N	1	0	456.459	2.002	40	5		JEBBRO
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@@H+]1[C@]21C(=O)Nc2ccc(C)cc21	ZINC000016001992	556107229	/nfs/dbraw/zinc/10/72/29/556107229.db2.gz	UZULCSSVBFAWMU-HMSHQKHKSA-N	1	0	462.462	2.343	40	5		JEBBRO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@@H+]1[C@@]21C(=O)Nc2ccc(C)cc21	ZINC000035843138	569714151	/nfs/dbraw/zinc/71/41/51/569714151.db2.gz	UKIMYBMMSAINOY-AYFLJRIOSA-N	1	0	462.462	2.343	40	5		JEBBRO
COc1cc(N2C(=O)[C@@H]3[C@@H](C(C)C)[NH2+][C@@]4(C(=O)Nc5ccccc54)[C@H]3C2=O)c(C)cc1[N+](=O)[O-]	ZINC000035851595	569716384	/nfs/dbraw/zinc/71/63/84/569716384.db2.gz	GJSJKSKMEGFCOS-UECWXEIQSA-N	1	0	464.478	2.493	40	5		JEBBRO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](CCSC)[NH2+][C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O	ZINC000035851542	569716387	/nfs/dbraw/zinc/71/63/87/569716387.db2.gz	SVAYYPFVOXXCKI-LPSTTYAQSA-N	1	0	482.518	2.282	40	5		JEBBRO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCSC)[NH2+][C@@]21C(=O)Nc2ccccc21	ZINC000102558818	569814202	/nfs/dbraw/zinc/81/42/02/569814202.db2.gz	SVAYYPFVOXXCKI-JYISGYRJSA-N	1	0	482.518	2.282	40	5		JEBBRO
CSCC[C@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12	ZINC000102891431	130373521	/nfs/dbraw/zinc/37/35/21/130373521.db2.gz	RYTYBAMWBXKNBE-QLDGJZPUSA-N	1	0	452.492	2.273	40	5		JEBBRO
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@@H+]1[C@@]21C(=O)Nc2c1cccc2C	ZINC000009358434	555122695	/nfs/dbraw/zinc/12/26/95/555122695.db2.gz	PENSRQGJEMXDOL-SYSFZUQMSA-N	1	0	462.462	2.343	40	5		JEBBRO
O=C(Nc1ccc(N2CC[NH2+]CC2)c([N+](=O)[O-])c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	ZINC000020154298	555673867	/nfs/dbraw/zinc/67/38/67/555673867.db2.gz	ARKCCGHTVPGWGC-UHFFFAOYSA-N	1	0	456.459	2.002	40	5		JEBBRO
C=C1NC(NN)=[NH+][C@@H](c2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1C(=O)OCC	ZINC000408732750	570029527	/nfs/dbraw/zinc/02/95/27/570029527.db2.gz	YHPOFWSADPMGEJ-FQEVSTJZSA-N	1	0	455.471	2.483	40	5		JEBBRO
CCOC(=O)C1=C(O)NC(N2CCN(c3ccccc3F)CC2)=[NH+][C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020801296	195226818	/nfs/dbraw/zinc/22/68/18/195226818.db2.gz	RVSQSXOHBCRVNT-VQTJNVASSA-N	1	0	469.473	2.262	40	5		JEBBRO
C[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)cc2)CC1	ZINC000008898258	554788644	/nfs/dbraw/zinc/78/86/44/554788644.db2.gz	BFTAMAWDZWEUPS-UHFFFAOYSA-N	1	0	484.582	2.310	40	5		JEBBRO
C[NH+]1CCN(c2ccccc2NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1	ZINC000022741932	555949514	/nfs/dbraw/zinc/94/95/14/555949514.db2.gz	WWLMPDOLWAFAOH-UHFFFAOYSA-N	1	0	484.582	2.310	40	5		JEBBRO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](C(C)C)[NH2+][C@]21C(=O)Nc2ccccc21	ZINC000016010285	556109885	/nfs/dbraw/zinc/10/98/85/556109885.db2.gz	GPOWBDWNQIAOEA-XWQURZDVSA-N	1	0	450.451	2.184	40	5		JEBBRO
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCSC)[NH2+][C@@]21C(=O)Nc2ccccc21	ZINC000035895169	569723155	/nfs/dbraw/zinc/72/31/55/569723155.db2.gz	HJUNOOOQDQIEJY-JYISGYRJSA-N	1	0	482.518	2.282	40	5		JEBBRO
COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCc1cccc(C[NH+]2CCCC2)c1)S(C)(=O)=O	ZINC000224606017	569950393	/nfs/dbraw/zinc/95/03/93/569950393.db2.gz	WSSSJUHEHOTFTG-UHFFFAOYSA-N	1	0	476.555	2.282	40	5		JEBBRO
C=C1NC(NN)=[NH+][C@H](c2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1C(=O)OCC	ZINC000408732751	570029638	/nfs/dbraw/zinc/02/96/38/570029638.db2.gz	YHPOFWSADPMGEJ-HXUWFJFHSA-N	1	0	455.471	2.483	40	5		JEBBRO
Cn1c2cc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)c(N3CC[NH+](C)CC3)cc2n(C)c1=O	ZINC000408527863	570186458	/nfs/dbraw/zinc/18/64/58/570186458.db2.gz	GPPPRFLKXIZUNQ-UHFFFAOYSA-N	1	0	458.906	2.443	40	5		JEBBRO
CCOC(=O)C1=C(O)NC(N2CCN(c3ccccc3F)CC2)=[NH+][C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020801292	195226710	/nfs/dbraw/zinc/22/67/10/195226710.db2.gz	RVSQSXOHBCRVNT-WOJBJXKFSA-N	1	0	469.473	2.262	40	5		JEBBRO
CCOC(=O)[C@H]1C([O-])=NC(N2CC[NH+](Cc3ccccc3)CC2)=[NH+][C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020801164	195226837	/nfs/dbraw/zinc/22/68/37/195226837.db2.gz	HCZUQGXMVNWSNX-NHCUHLMSSA-N	1	0	465.510	2.119	40	5		JEBBRO
COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1	ZINC000408576282	570205924	/nfs/dbraw/zinc/20/59/24/570205924.db2.gz	WWVMWJFHRHVNBF-UHFFFAOYSA-N	1	0	483.525	2.222	40	5		JEBBRO
CCOC(=O)[C@@H]1C([O-])=NC(N2CC[NH+](Cc3ccccc3)CC2)=[NH+][C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020801175	195226831	/nfs/dbraw/zinc/22/68/31/195226831.db2.gz	HCZUQGXMVNWSNX-SFTDATJTSA-N	1	0	465.510	2.119	40	5		JEBBRO
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](CCSC)[NH2+][C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O	ZINC000102889040	130370357	/nfs/dbraw/zinc/37/03/57/130370357.db2.gz	HJUNOOOQDQIEJY-LPSTTYAQSA-N	1	0	482.518	2.282	40	5		JEBBRO
COc1cc(N2C(=O)[C@H]3[C@@H](C(C)C)[NH2+][C@@]4(C(=O)Nc5ccccc54)[C@H]3C2=O)c(C)cc1[N+](=O)[O-]	ZINC000102889477	130371144	/nfs/dbraw/zinc/37/11/44/130371144.db2.gz	GJSJKSKMEGFCOS-DBYOASNMSA-N	1	0	464.478	2.493	40	5		JEBBRO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@]1([NH2+][C@H]2C(C)C)C(=O)Nc2ccccc21	ZINC000016010286	556109704	/nfs/dbraw/zinc/10/97/04/556109704.db2.gz	GPOWBDWNQIAOEA-XQQXVUDOSA-N	1	0	450.451	2.184	40	5		JEBBRO
COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCc1ccccc1C[NH+]1CCCC1)S(C)(=O)=O	ZINC000224771699	569956920	/nfs/dbraw/zinc/95/69/20/569956920.db2.gz	ZEXGWAYDKVPTQJ-UHFFFAOYSA-N	1	0	476.555	2.282	40	5		JEBBRO
CCOC(=O)[C@@H]1C([O-])=NC(N2CC[NH+](Cc3ccccc3)CC2)=[NH+][C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000020675012	195199784	/nfs/dbraw/zinc/19/97/84/195199784.db2.gz	OXUDMFKBWHMRHZ-LEWJYISDSA-N	1	0	465.510	2.119	40	5		JEBBRO
CCOC(=O)C1=C(O)NC(N2CCN(c3ccccc3F)CC2)=[NH+][C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020801300	195226793	/nfs/dbraw/zinc/22/67/93/195226793.db2.gz	RVSQSXOHBCRVNT-UXHICEINSA-N	1	0	469.473	2.262	40	5		JEBBRO
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1([NH2+][C@H]2CCSC)C(=O)Nc2ccccc21	ZINC000102889034	130370389	/nfs/dbraw/zinc/37/03/89/130370389.db2.gz	HJUNOOOQDQIEJY-HTIQSUCMSA-N	1	0	482.518	2.282	40	5		JEBBRO
COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)S(C)(=O)=O	ZINC000044871559	525463178	/nfs/dbraw/zinc/46/31/78/525463178.db2.gz	LOIWYJVHMKDWRY-UHFFFAOYSA-N	1	0	476.555	2.282	40	5		JEBBRO
COc1ccc(N(CC(=O)NCCC[NH+](C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	ZINC000013671824	555563481	/nfs/dbraw/zinc/56/34/81/555563481.db2.gz	LOPUZFXKIFVVFI-UHFFFAOYSA-N	1	0	464.544	2.175	40	5		JEBBRO
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H]3CCC[N@@H+]3[C@@]3(C(=O)Nc4c3cccc4C)[C@H]2C1=O	ZINC000035844162	569714881	/nfs/dbraw/zinc/71/48/81/569714881.db2.gz	PENSRQGJEMXDOL-VEBYGKHWSA-N	1	0	462.462	2.343	40	5		JEBBRO
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H]3CCC[N@@H+]3[C@@]3(C(=O)Nc4ccc(C)cc43)[C@H]2C1=O	ZINC000104014697	569839874	/nfs/dbraw/zinc/83/98/74/569839874.db2.gz	UZULCSSVBFAWMU-AGFSROSKSA-N	1	0	462.462	2.343	40	5		JEBBRO
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCCN1[C@@]21C(=O)Nc2ccc(F)cc21	ZINC000104050196	569840088	/nfs/dbraw/zinc/84/00/88/569840088.db2.gz	YDSDGRPYRSJFHX-CROMWVBPSA-N	1	0	450.426	2.474	40	5		JEBBRO