smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1CCN(S(=O)(=O)c2ccc(NC[C@@H](c3ccccc3)[NH+](C)C)c([N+](=O)[O-])c2)CC1	ZINC000012795133	522029538	/nfs/dbraw/zinc/02/95/38/522029538.db2.gz	XFWXTBXJMDXJJP-NRFANRHFSA-N	1	0	447.561	2.246	50	5		IEBARO
COc1ccc(-n2c(CN3CC[NH+](C)CC3)nc3ccc([N+](=O)[O-])cc3c2=O)c(OC)c1	ZINC000012471004	523317576	/nfs/dbraw/zinc/31/75/76/523317576.db2.gz	VNAMJLKBIYVHRM-UHFFFAOYSA-N	1	0	439.472	2.059	50	5		IEBARO
COc1ccccc1[C@@H](CNc1nc(N)c([N+](=O)[O-])c(NC[C@@H]2CCCO2)n1)[NH+](C)C	ZINC000035681909	524737417	/nfs/dbraw/zinc/73/74/17/524737417.db2.gz	CWOFDKNKFWCMEK-DZGCQCFKSA-N	1	0	431.497	2.281	50	5		IEBARO
COc1ccccc1[C@H](CNc1nc(N)c([N+](=O)[O-])c(NC[C@@H]2CCCO2)n1)[NH+](C)C	ZINC000035681908	524793374	/nfs/dbraw/zinc/79/33/74/524793374.db2.gz	CWOFDKNKFWCMEK-ZFWWWQNUSA-N	1	0	431.497	2.281	50	5		IEBARO
O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1nc(Cn2cc([N+](=O)[O-])cn2)no1	ZINC000012429213	526657663	/nfs/dbraw/zinc/65/76/63/526657663.db2.gz	MLGVPCOCHDZAPM-UHFFFAOYSA-N	1	0	425.449	2.139	50	5		IEBARO
Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCN(C(C)(C)C(N)=O)CC2)c([N+](=O)[O-])c1	ZINC000072308870	556567834	/nfs/dbraw/zinc/56/78/34/556567834.db2.gz	ZSDYBSSRSJFURP-FQEVSTJZSA-N	1	0	439.516	2.465	50	5		IEBARO
Cc1c([N+](=O)[O-])cccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@@H+]1[C@@]21C(=O)Nc2ccccc21	ZINC000013786953	556731503	/nfs/dbraw/zinc/73/15/03/556731503.db2.gz	SFXPWAIGSAOZJV-QPXQOZNCSA-N	1	0	432.436	2.334	50	5		IEBARO
CC[NH+](CC)CCSc1nc(-c2cccc([N+](=O)[O-])c2)nc2c1c(=O)n(C)c(=O)n2C	ZINC000009517611	569543685	/nfs/dbraw/zinc/54/36/85/569543685.db2.gz	SXUYKDVKYMLKAO-UHFFFAOYSA-N	1	0	444.517	2.036	50	5		IEBARO
C[NH+]1CCN(c2ccc(NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)cc2)CC1	ZINC000004759682	132273656	/nfs/dbraw/zinc/27/36/56/132273656.db2.gz	MWDAFYYICLZFBG-UHFFFAOYSA-N	1	0	425.489	2.436	50	5		IEBARO
CN1CCN(S(=O)(=O)c2ccc(NC[C@H](c3ccccc3)[NH+](C)C)c([N+](=O)[O-])c2)CC1	ZINC000012795129	522089039	/nfs/dbraw/zinc/08/90/39/522089039.db2.gz	XFWXTBXJMDXJJP-OAQYLSRUSA-N	1	0	447.561	2.246	50	5		IEBARO
Cc1c([N+](=O)[O-])cccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@@H+]1[C@]21C(=O)Nc2ccccc21	ZINC000015999146	568862292	/nfs/dbraw/zinc/86/22/92/568862292.db2.gz	SFXPWAIGSAOZJV-YWNPBTLJSA-N	1	0	432.436	2.334	50	5		IEBARO
O=[N+]([O-])c1ccc(C[N+]2(C[C@@H](O)COC[C@H]3COc4ccccc4O3)CCOCC2)cc1	ZINC000013305835	569312933	/nfs/dbraw/zinc/31/29/33/569312933.db2.gz	VSZBJIZTNFIJTI-RTWAWAEBSA-N	1	0	445.492	2.159	50	5		IEBARO
C[NH+](C)CCCn1c2c(c(SCC(=O)Nc3cccc([N+](=O)[O-])c3)nc1=O)CCC2	ZINC000009745876	569565729	/nfs/dbraw/zinc/56/57/29/569565729.db2.gz	IARGLDBYTVDHDZ-UHFFFAOYSA-N	1	0	431.518	2.323	50	5		IEBARO
CC(=O)N1CCN(c2ccc(C(=O)NCc3ccccc3C[NH+](C)C)cc2[N+](=O)[O-])CC1	ZINC000009917329	132331704	/nfs/dbraw/zinc/33/17/04/132331704.db2.gz	FNKORPOJPSOTEZ-UHFFFAOYSA-N	1	0	439.516	2.255	50	5		IEBARO
Cc1c([N+](=O)[O-])cccc1N1C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@@]3(C(=O)Nc4ccccc43)[C@H]2C1=O	ZINC000248121680	556666523	/nfs/dbraw/zinc/66/65/23/556666523.db2.gz	SFXPWAIGSAOZJV-RTXPOLOASA-N	1	0	432.436	2.334	50	5		IEBARO
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1NC[C@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC000110569559	557514583	/nfs/dbraw/zinc/51/45/83/557514583.db2.gz	ZGTUNOKDHKFLPU-IRXDYDNUSA-N	1	0	438.550	2.435	50	5		IEBARO
Cn1c(CN2CC[NH+](C)CC2)nc2cc(NC(=O)COc3ccc([N+](=O)[O-])cc3)ccc21	ZINC000010342201	562978578	/nfs/dbraw/zinc/97/85/78/562978578.db2.gz	YSJMFROJTJOIGW-UHFFFAOYSA-N	1	0	438.488	2.246	50	5		IEBARO
Cc1nc(N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc(N2CCCCC2)[nH+]1	ZINC000015838392	568844425	/nfs/dbraw/zinc/84/44/25/568844425.db2.gz	CTINYZNRRFIDPY-UHFFFAOYSA-N	1	0	446.533	2.194	50	5		IEBARO
CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12	ZINC000015997081	568861898	/nfs/dbraw/zinc/86/18/98/568861898.db2.gz	HHQCQRRWVWWAQL-CMCWBKRRSA-N	1	0	446.463	2.440	50	5		IEBARO
O=C([C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](Cc3ccccc3)C[C@@H]12)N1CCOCC1	ZINC000169677316	568989650	/nfs/dbraw/zinc/98/96/50/568989650.db2.gz	SPFKPGFPNVUMSN-GGAORHGYSA-N	1	0	436.512	2.317	50	5		IEBARO
C[N@@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(Cc4ccccc4)C3=O)[C@@H]2C1	ZINC000036311766	568998345	/nfs/dbraw/zinc/99/83/45/568998345.db2.gz	WUUBSLFGDOAHAQ-WMZHIEFXSA-N	1	0	449.467	2.377	50	5		IEBARO
CN(CCOc1ccccc1)c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-]	ZINC000036329702	569076630	/nfs/dbraw/zinc/07/66/30/569076630.db2.gz	ISTZDJOMPIDANV-UHFFFAOYSA-N	1	0	434.518	2.046	50	5		IEBARO
CN(C)c1cc(F)c(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)cc1[N+](=O)[O-]	ZINC000253421596	569267110	/nfs/dbraw/zinc/26/71/10/569267110.db2.gz	YNTNRRYFXCQTIL-APWZRJJASA-N	1	0	430.480	2.413	50	5		IEBARO
Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@@H+]2[C@@]32C(=O)Nc3ccccc32)cc1[N+](=O)[O-]	ZINC000020391839	569363266	/nfs/dbraw/zinc/36/32/66/569363266.db2.gz	ALIWSXFLFIJKHK-QYUDBREXSA-N	1	0	432.436	2.334	50	5		IEBARO
O=[N+]([O-])c1ccc(NC[C@@H]([C@H]2CCOC2)[NH+]2CCCC2)c(S(=O)(=O)N2CCCC2)c1	ZINC000058130414	569448020	/nfs/dbraw/zinc/44/80/20/569448020.db2.gz	TVRJIGSRRLHNRW-LPHOPBHVSA-N	1	0	438.550	2.292	50	5		IEBARO
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC000058434885	569454744	/nfs/dbraw/zinc/45/47/44/569454744.db2.gz	ZGTUNOKDHKFLPU-IAGOWNOFSA-N	1	0	438.550	2.435	50	5		IEBARO
C[NH+](C)CCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)CCNc1ccccc1[N+](=O)[O-]	ZINC000040119375	569489342	/nfs/dbraw/zinc/48/93/42/569489342.db2.gz	GCEHYUUJTUGDJD-OAQYLSRUSA-N	1	0	439.516	2.028	50	5		IEBARO
COc1ccccc1[C@H](CNc1nc(N)c([N+](=O)[O-])c(NC[C@H]2CCCO2)n1)[NH+](C)C	ZINC000035681910	524792993	/nfs/dbraw/zinc/79/29/93/524792993.db2.gz	CWOFDKNKFWCMEK-HIFRSBDPSA-N	1	0	431.497	2.281	50	5		IEBARO
Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@H]2CCC[N@@H+]21	ZINC000248339910	556681323	/nfs/dbraw/zinc/68/13/23/556681323.db2.gz	UFMJJDKSOFHMOC-GKAYAJSDSA-N	1	0	432.436	2.334	50	5		IEBARO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@@H+]1[C@]21C(=O)Nc2ccccc21	ZINC000016038695	568868378	/nfs/dbraw/zinc/86/83/78/568868378.db2.gz	ZVKMTAKXNRSMST-HZNUMKHLSA-N	1	0	448.435	2.035	50	5		IEBARO
C[C@@H]1C[C@H](C)C[N@@H+](C[C@@H](O)COc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])C1	ZINC000013076094	569308745	/nfs/dbraw/zinc/30/87/45/569308745.db2.gz	YTPLCPGQHCWEJP-IXDOHACOSA-N	1	0	441.550	2.097	50	5		IEBARO
O=C1c2ccccc2/C(=C\NCCC[NH+]2CCOCC2)C(=O)N1c1ccccc1[N+](=O)[O-]	ZINC000019881283	569331447	/nfs/dbraw/zinc/33/14/47/569331447.db2.gz	QMZUYMGSSOLPDD-KNTRCKAVSA-N	1	0	436.468	2.435	50	5		IEBARO
Cc1ccccc1N1CCN(c2ccc(S(=O)(=O)NCC[NH+](C)C)cc2[N+](=O)[O-])CC1	ZINC000013038441	132342997	/nfs/dbraw/zinc/34/29/97/132342997.db2.gz	YRVDNSFACMTFPQ-UHFFFAOYSA-N	1	0	447.561	2.070	50	5		IEBARO
C[C@@H]1CCCC[N@@H+]1CCCNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-]	ZINC000035279091	524107189	/nfs/dbraw/zinc/10/71/89/524107189.db2.gz	ZRZODTBFVZBPTB-QGZVFWFLSA-N	1	0	439.582	2.207	50	5		IEBARO
Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000035829963	526213536	/nfs/dbraw/zinc/21/35/36/526213536.db2.gz	UFMJJDKSOFHMOC-CROMWVBPSA-N	1	0	432.436	2.334	50	5		IEBARO
O=C([C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](Cc3ccccc3)C[C@@H]12)N1CCOCC1	ZINC000035870892	526569130	/nfs/dbraw/zinc/56/91/30/526569130.db2.gz	SPFKPGFPNVUMSN-GMAHTHKFSA-N	1	0	436.512	2.317	50	5		IEBARO
COc1ccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1[N+](=O)[O-]	ZINC000006288000	536735284	/nfs/dbraw/zinc/73/52/84/536735284.db2.gz	RDCOUZDIHYTXPY-UHFFFAOYSA-N	1	0	429.502	2.482	50	5		IEBARO
Cc1cccn2c1nc1c(cc(C(=O)NC3CCCC3)c(=N)n1CCCn1ccnc1)c2=O	ZINC000100630721	556636672	/nfs/dbraw/zinc/63/66/72/556636672.db2.gz	AMRLNGHFGOGACS-UHFFFAOYSA-N	1	0	445.527	2.396	50	5		IEBARO
CCN(CC)S(=O)(=O)c1ccc(NCC(C)(C)N2CC[NH+](C)CC2)c([N+](=O)[O-])c1	ZINC000024831343	557165436	/nfs/dbraw/zinc/16/54/36/557165436.db2.gz	JYKRFAQUJIKKDW-UHFFFAOYSA-N	1	0	427.571	2.063	50	5		IEBARO
O=C1Nc2ccc(F)cc2[C@@]12[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]1[C@@H]1CCCN12	ZINC000016001059	568862046	/nfs/dbraw/zinc/86/20/46/568862046.db2.gz	BCCDAKKSTLWCDS-RQXXJAGISA-N	1	0	436.399	2.165	50	5		IEBARO
COc1ccc(CCNc2cc(N3CC[NH+](CCO)CC3)ccc2[N+](=O)[O-])cc1OC	ZINC000019842853	569330247	/nfs/dbraw/zinc/33/02/47/569330247.db2.gz	HGDQBXKJUSCCNW-UHFFFAOYSA-N	1	0	430.505	2.381	50	5		IEBARO
CN(CCCC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000012384375	522721646	/nfs/dbraw/zinc/72/16/46/522721646.db2.gz	MSAGHGBQQBLPFY-UHFFFAOYSA-N	1	0	440.566	2.421	50	5		IEBARO
O=C(NC[C@@H]1CCCO1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](C3CCCC3)C[C@@H]12	ZINC000035894861	526518286	/nfs/dbraw/zinc/51/82/86/526518286.db2.gz	GZWSQYUSRHVIJX-VWPQPMDRSA-N	1	0	428.533	2.496	50	5		IEBARO
O=C(CN1CCC[N@H+](Cc2ccccc2)CC1)N1CCN(c2ccccc2[N+](=O)[O-])CC1	ZINC000012527618	526745477	/nfs/dbraw/zinc/74/54/77/526745477.db2.gz	ZUGFLNPFQYZDRQ-UHFFFAOYSA-N	1	0	437.544	2.451	50	5		IEBARO
Cc1nc(N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cc(N2CCCCC2)[nH+]1	ZINC000015671288	568802671	/nfs/dbraw/zinc/80/26/71/568802671.db2.gz	WHRLTQWKDKJUJX-UHFFFAOYSA-N	1	0	446.533	2.194	50	5		IEBARO
Cc1ccc(N2C(=O)[C@@H]3[C@H](C(C)C)[NH2+][C@@]4(C(=O)Nc5ccccc54)[C@H]3C2=O)cc1[N+](=O)[O-]	ZINC000016009792	568862561	/nfs/dbraw/zinc/86/25/61/568862561.db2.gz	PZOZGFSRURKQCY-QPXQOZNCSA-N	1	0	434.452	2.484	50	5		IEBARO
COCCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@@H]12	ZINC000169681841	568992635	/nfs/dbraw/zinc/99/26/35/568992635.db2.gz	OCHLMQVOJZBYNG-UNMCSNQZSA-N	1	0	442.491	2.360	50	5		IEBARO
O=[N+]([O-])c1ccc(C[N+]2(C[C@@H](O)COC[C@@H]3COc4ccccc4O3)CCOCC2)cc1	ZINC000013305827	569312903	/nfs/dbraw/zinc/31/29/03/569312903.db2.gz	VSZBJIZTNFIJTI-NHCUHLMSSA-N	1	0	445.492	2.159	50	5		IEBARO
CC(C)C[NH+]1CCC(Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1	ZINC000032902539	556536560	/nfs/dbraw/zinc/53/65/60/556536560.db2.gz	GOTMIGARULXLLP-UHFFFAOYSA-N	1	0	426.539	2.148	50	5		IEBARO
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@@]3(C(=O)Nc4ccccc43)[C@H]2C1=O	ZINC000248131478	556668494	/nfs/dbraw/zinc/66/84/94/556668494.db2.gz	LBRNRVVTGCJPNW-OSJYTEGDSA-N	1	0	448.435	2.035	50	5		IEBARO
Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21	ZINC000248339913	556681343	/nfs/dbraw/zinc/68/13/43/556681343.db2.gz	UFMJJDKSOFHMOC-KEXUJGGDSA-N	1	0	432.436	2.334	50	5		IEBARO
NC(=[NH2+])NCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000013538985	556695933	/nfs/dbraw/zinc/69/59/33/556695933.db2.gz	NRTJWZHOAFLRIR-KRWDZBQOSA-N	1	0	428.449	2.092	50	5		IEBARO
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC000110569561	557514540	/nfs/dbraw/zinc/51/45/40/557514540.db2.gz	ZGTUNOKDHKFLPU-DLBZAZTESA-N	1	0	438.550	2.435	50	5		IEBARO
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1NC1CC[NH+]([C@H]2CCOC2)CC1	ZINC000084350874	568797204	/nfs/dbraw/zinc/79/72/04/568797204.db2.gz	OORCDJCEZJVBKJ-KRWDZBQOSA-N	1	0	438.550	2.435	50	5		IEBARO
COc1ccc(C(=O)NC(=S)Nc2ccccc2N2CC[NH+](C)CC2)cc1[N+](=O)[O-]	ZINC000016424993	568896812	/nfs/dbraw/zinc/89/68/12/568896812.db2.gz	VAUXZWNEMULTJI-UHFFFAOYSA-N	1	0	429.502	2.482	50	5		IEBARO
COCCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@@H]12	ZINC000169681840	568992554	/nfs/dbraw/zinc/99/25/54/568992554.db2.gz	OCHLMQVOJZBYNG-IRLDBZIGSA-N	1	0	442.491	2.360	50	5		IEBARO
CC[NH+]1CCN(c2ccccc2NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1	ZINC000040103956	569488100	/nfs/dbraw/zinc/48/81/00/569488100.db2.gz	BHGXBLLHIXISFY-UHFFFAOYSA-N	1	0	439.520	2.486	50	5		IEBARO
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2C(=C(C(=O)c3ccccc3)N3CCC[C@H]23)C1O	ZINC000245325272	569503336	/nfs/dbraw/zinc/50/33/36/569503336.db2.gz	DTRCFYFVHKQYOT-BTHPGYMESA-N	1	0	435.436	2.439	50	5		IEBARO
COc1ccccc1[C@@H](CNc1nc(N)c([N+](=O)[O-])c(NC[C@H]2CCCO2)n1)[NH+](C)C	ZINC000035681911	524737037	/nfs/dbraw/zinc/73/70/37/524737037.db2.gz	CWOFDKNKFWCMEK-UKRRQHHQSA-N	1	0	431.497	2.281	50	5		IEBARO
C[C@H]1CCCC[N@@H+]1CCCNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-]	ZINC000035279095	526248593	/nfs/dbraw/zinc/24/85/93/526248593.db2.gz	ZRZODTBFVZBPTB-KRWDZBQOSA-N	1	0	439.582	2.207	50	5		IEBARO
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@]3(C(=O)Nc4ccccc43)[C@H]2C1=O	ZINC000248104962	556662963	/nfs/dbraw/zinc/66/29/63/556662963.db2.gz	LBMAHEZVNQZSEB-LVBDUCALSA-N	1	0	432.436	2.334	50	5		IEBARO
CN1CCN(S(=O)(=O)c2ccc(N3CCC[C@H](C(F)(F)F)C3)c([N+](=O)[O-])c2)CC1	ZINC000014094847	557301520	/nfs/dbraw/zinc/30/15/20/557301520.db2.gz	KWKXYTBVQSBIES-ZDUSSCGKSA-N	1	0	436.456	2.310	50	5		IEBARO
C[NH+]1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)cc2)CC1	ZINC000004857757	557397074	/nfs/dbraw/zinc/39/70/74/557397074.db2.gz	VYDHTLGHOVFDHT-UHFFFAOYSA-N	1	0	425.489	2.436	50	5		IEBARO
CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12	ZINC000103507546	557438039	/nfs/dbraw/zinc/43/80/39/557438039.db2.gz	HHQCQRRWVWWAQL-FDGPYGQJSA-N	1	0	446.463	2.440	50	5		IEBARO
O=C([C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](Cc3ccccc3)C[C@H]12)N1CCOCC1	ZINC000104915318	557465188	/nfs/dbraw/zinc/46/51/88/557465188.db2.gz	SPFKPGFPNVUMSN-JTHBVZDNSA-N	1	0	436.512	2.317	50	5		IEBARO
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1NC1CC[NH+]([C@@H]2CCOC2)CC1	ZINC000084350869	568797190	/nfs/dbraw/zinc/79/71/90/568797190.db2.gz	OORCDJCEZJVBKJ-QGZVFWFLSA-N	1	0	438.550	2.435	50	5		IEBARO
C[N@@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)NC(=O)N(Cc4ccccc4)C3=O)[C@@H]2C1	ZINC000017027554	569171004	/nfs/dbraw/zinc/17/10/04/569171004.db2.gz	WUUBSLFGDOAHAQ-CVDCTZTESA-N	1	0	449.467	2.377	50	5		IEBARO
CN(C)c1cc(F)c(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)cc1[N+](=O)[O-]	ZINC000253421598	569267042	/nfs/dbraw/zinc/26/70/42/569267042.db2.gz	YNTNRRYFXCQTIL-LPHOPBHVSA-N	1	0	430.480	2.413	50	5		IEBARO
O=[N+]([O-])c1ccc(NC[C@@H]([C@@H]2CCOC2)[NH+]2CCCC2)c(S(=O)(=O)N2CCCC2)c1	ZINC000058130398	569448066	/nfs/dbraw/zinc/44/80/66/569448066.db2.gz	TVRJIGSRRLHNRW-APWZRJJASA-N	1	0	438.550	2.292	50	5		IEBARO
C[NH+](C)CCn1c(=O)nc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)c2c1CCCC2	ZINC000009747381	569565823	/nfs/dbraw/zinc/56/58/23/569565823.db2.gz	LBKUEDBDCHWRFP-UHFFFAOYSA-N	1	0	431.518	2.323	50	5		IEBARO
COc1ccc(/C=C(\NC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)NCCC[NH+](C)C)cc1	ZINC000012413932	523381796	/nfs/dbraw/zinc/38/17/96/523381796.db2.gz	JHFMSCYVBMJLNF-HKWRFOASSA-N	1	0	426.473	2.442	50	5		IEBARO
COCCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@H]12	ZINC000035870383	523914717	/nfs/dbraw/zinc/91/47/17/523914717.db2.gz	OCHLMQVOJZBYNG-IFMALSPDSA-N	1	0	442.491	2.360	50	5		IEBARO
O=C(NC[C@@H]1CCCO1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](C3CCCC3)C[C@@H]12	ZINC000035894859	526519872	/nfs/dbraw/zinc/51/98/72/526519872.db2.gz	GZWSQYUSRHVIJX-ONTIZHBOSA-N	1	0	428.533	2.496	50	5		IEBARO
Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCN(C(C)(C)C(N)=O)CC2)c([N+](=O)[O-])c1	ZINC000072308869	556567838	/nfs/dbraw/zinc/56/78/38/556567838.db2.gz	ZSDYBSSRSJFURP-HXUWFJFHSA-N	1	0	439.516	2.465	50	5		IEBARO
Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21	ZINC000015989630	556571521	/nfs/dbraw/zinc/57/15/21/556571521.db2.gz	UFMJJDKSOFHMOC-QPXQOZNCSA-N	1	0	432.436	2.334	50	5		IEBARO
CCOC(=O)c1cc(C(=O)NCc2ccc(N3CCC[N@H+](C)CC3)nc2)cc([N+](=O)[O-])c1	ZINC000048326570	557069182	/nfs/dbraw/zinc/06/91/82/557069182.db2.gz	JBQVJYBPRSOWEJ-UHFFFAOYSA-N	1	0	441.488	2.238	50	5		IEBARO
COC(=O)[C@@H]1[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3OC)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN21	ZINC000103887522	557442586	/nfs/dbraw/zinc/44/25/86/557442586.db2.gz	MESZIFLUINCVJA-YRPNKDGESA-N	1	0	449.419	2.292	50	5		IEBARO
C[NH+]1CCN(C(C)(C)CNc2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])CC1	ZINC000024988694	557830026	/nfs/dbraw/zinc/83/00/26/557830026.db2.gz	JWXBZLVHMPJZND-UHFFFAOYSA-N	1	0	439.582	2.207	50	5		IEBARO
CC[NH+](CC)CCN(CC(C)C)c1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-]	ZINC000084771278	568801105	/nfs/dbraw/zinc/80/11/05/568801105.db2.gz	GIPDOONNQSSXBA-UHFFFAOYSA-N	1	0	442.582	2.420	50	5		IEBARO
Cc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCCC4)[nH+]c(C)n3)CC2)cc1[N+](=O)[O-]	ZINC000015671257	568802331	/nfs/dbraw/zinc/80/23/31/568802331.db2.gz	WYEHDPKZKTXBKK-UHFFFAOYSA-N	1	0	446.533	2.113	50	5		IEBARO
Cc1c([N+](=O)[O-])cccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H](C(C)C)[NH2+][C@]21C(=O)Nc2ccccc21	ZINC000016012929	568862683	/nfs/dbraw/zinc/86/26/83/568862683.db2.gz	YTWCDEDRBPYGEA-KGYLXKDPSA-N	1	0	434.452	2.484	50	5		IEBARO
CN(C)S(=O)(=O)c1ccc(NC2CC[NH+](CC3(O)CCCCC3)CC2)c([N+](=O)[O-])c1	ZINC000089319611	568920774	/nfs/dbraw/zinc/92/07/74/568920774.db2.gz	CKBWGFWMVFQKDC-UHFFFAOYSA-N	1	0	440.566	2.417	50	5		IEBARO
Cc1c([N+](=O)[O-])cccc1N1C(=O)[C@@H]2[C@H](C(C)C)[NH2+][C@@]3(C(=O)Nc4ccccc43)[C@H]2C1=O	ZINC000016012932	556574236	/nfs/dbraw/zinc/57/42/36/556574236.db2.gz	YTWCDEDRBPYGEA-QPXQOZNCSA-N	1	0	434.452	2.484	50	5		IEBARO
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@@]3(C(=O)Nc4ccccc43)[C@H]2C1=O	ZINC000248104970	556662925	/nfs/dbraw/zinc/66/29/25/556662925.db2.gz	LBMAHEZVNQZSEB-RTXPOLOASA-N	1	0	432.436	2.334	50	5		IEBARO
CC[NH+]1CCN(Cc2ccc(CNc3ccc(S(=O)(=O)NC)cc3[N+](=O)[O-])cc2)CC1	ZINC000032932655	556675821	/nfs/dbraw/zinc/67/58/21/556675821.db2.gz	DYSOWUAHHYXKBK-UHFFFAOYSA-N	1	0	447.561	2.253	50	5		IEBARO
CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]1[C@@H]1CCC[N@@H+]12	ZINC000249687190	569155414	/nfs/dbraw/zinc/15/54/14/569155414.db2.gz	HHQCQRRWVWWAQL-XHOYROJHSA-N	1	0	446.463	2.440	50	5		IEBARO
O=[N+]([O-])c1ccc(C[N+]2(C[C@H](O)COC[C@@H]3COc4ccccc4O3)CCOCC2)cc1	ZINC000013305831	569312901	/nfs/dbraw/zinc/31/29/01/569312901.db2.gz	VSZBJIZTNFIJTI-LEWJYISDSA-N	1	0	445.492	2.159	50	5		IEBARO
C[NH+](C)CCNS(=O)(=O)c1ccc(Oc2ccc(-c3nnco3)cc2)c([N+](=O)[O-])c1	ZINC000009318367	569522479	/nfs/dbraw/zinc/52/24/79/569522479.db2.gz	NLKYXJYIPNMICS-UHFFFAOYSA-N	1	0	433.446	2.277	50	5		IEBARO
Cc1cc([N+](=O)[O-])nn1Cc1noc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)n1	ZINC000012446648	525581007	/nfs/dbraw/zinc/58/10/07/525581007.db2.gz	UJTLPLRLMRDTRE-UHFFFAOYSA-N	1	0	439.476	2.447	50	5		IEBARO
C[NH+]1CCN(c2ccccc2NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)CC1	ZINC000005051081	536424809	/nfs/dbraw/zinc/42/48/09/536424809.db2.gz	KBPIASGNVHSVIQ-UHFFFAOYSA-N	1	0	425.489	2.436	50	5		IEBARO
CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]1[C@H]1CCC[N@@H+]12	ZINC000249687193	568902554	/nfs/dbraw/zinc/90/25/54/568902554.db2.gz	HHQCQRRWVWWAQL-XUJKJYMVSA-N	1	0	446.463	2.440	50	5		IEBARO
COc1ccccc1N1CCN(c2cc(N3CC[NH+](CCO)CC3)ccc2[N+](=O)[O-])CC1	ZINC000019634227	569324014	/nfs/dbraw/zinc/32/40/14/569324014.db2.gz	MUSFUAFIRFRHRJ-UHFFFAOYSA-N	1	0	441.532	2.044	50	5		IEBARO
Cc1c([N+](=O)[O-])cccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H](C(C)C)[NH2+][C@@]21C(=O)Nc2ccccc21	ZINC000245247908	569501184	/nfs/dbraw/zinc/50/11/84/569501184.db2.gz	YTWCDEDRBPYGEA-KEXUJGGDSA-N	1	0	434.452	2.484	50	5		IEBARO
C[NH+](C)CCn1c(=O)nc(SCC(=O)Nc2ccccc2[N+](=O)[O-])c2c1CCCC2	ZINC000009747457	569565829	/nfs/dbraw/zinc/56/58/29/569565829.db2.gz	HGEBPLDNGLAAEV-UHFFFAOYSA-N	1	0	431.518	2.323	50	5		IEBARO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@]3(C(=O)Nc4ccccc43)[C@H]2C1=O	ZINC000248156983	556669497	/nfs/dbraw/zinc/66/94/97/556669497.db2.gz	ZVKMTAKXNRSMST-LONFEIEESA-N	1	0	448.435	2.035	50	5		IEBARO
Cc1c([N+](=O)[O-])cccc1N1C(=O)[C@@H]2[C@H](C(C)C)[NH2+][C@]3(C(=O)Nc4ccccc43)[C@H]2C1=O	ZINC000106017357	557512673	/nfs/dbraw/zinc/51/26/73/557512673.db2.gz	YTWCDEDRBPYGEA-YWNPBTLJSA-N	1	0	434.452	2.484	50	5		IEBARO
COc1ccc(/C=C(/NC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)NCCC[NH+](C)C)cc1	ZINC000009354659	562969535	/nfs/dbraw/zinc/96/95/35/562969535.db2.gz	JHFMSCYVBMJLNF-HMMYKYKNSA-N	1	0	426.473	2.442	50	5		IEBARO
COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@@H]2CCCN21	ZINC000015998999	568862059	/nfs/dbraw/zinc/86/20/59/568862059.db2.gz	ICBKIPGVFKUTRG-QPXQOZNCSA-N	1	0	448.435	2.035	50	5		IEBARO
Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@@H+]2[C@]32C(=O)Nc3ccccc32)cc1[N+](=O)[O-]	ZINC000015996176	568862087	/nfs/dbraw/zinc/86/20/87/568862087.db2.gz	ALIWSXFLFIJKHK-FAODYONGSA-N	1	0	432.436	2.334	50	5		IEBARO
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@@H+]1[C@]21C(=O)Nc2ccccc21	ZINC000016038707	568868440	/nfs/dbraw/zinc/86/84/40/568868440.db2.gz	LBMAHEZVNQZSEB-YWNPBTLJSA-N	1	0	432.436	2.334	50	5		IEBARO
CN(C)c1cc(F)c(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)cc1[N+](=O)[O-]	ZINC000253421600	569267067	/nfs/dbraw/zinc/26/70/67/569267067.db2.gz	YNTNRRYFXCQTIL-QFBILLFUSA-N	1	0	430.480	2.413	50	5		IEBARO
Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](C(C)C)[NH2+][C@@]32C(=O)Nc3ccccc32)cc1[N+](=O)[O-]	ZINC000245247118	569501191	/nfs/dbraw/zinc/50/11/91/569501191.db2.gz	PZOZGFSRURKQCY-KEXUJGGDSA-N	1	0	434.452	2.484	50	5		IEBARO
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2C(=C(C(=O)c3ccccc3)N3CCC[C@@H]23)C1O	ZINC000245325274	569503326	/nfs/dbraw/zinc/50/33/26/569503326.db2.gz	DTRCFYFVHKQYOT-LEAZDLGRSA-N	1	0	435.436	2.439	50	5		IEBARO
C[NH+](C)CCn1c(=O)nc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)c2c1CCCC2	ZINC000009747389	569565811	/nfs/dbraw/zinc/56/58/11/569565811.db2.gz	HWBSBHJEUOXFJC-UHFFFAOYSA-N	1	0	431.518	2.323	50	5		IEBARO
O=C(NC[C@@H]1CCCO1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](C3CCCC3)C[C@H]12	ZINC000035894857	526518808	/nfs/dbraw/zinc/51/88/08/526518808.db2.gz	GZWSQYUSRHVIJX-TUNNFDKTSA-N	1	0	428.533	2.496	50	5		IEBARO
O=[N+]([O-])c1ccc(C[N+]2(C[C@H](O)COC[C@H]3COc4ccccc4O3)CCOCC2)cc1	ZINC000013305839	557306466	/nfs/dbraw/zinc/30/64/66/557306466.db2.gz	VSZBJIZTNFIJTI-SFTDATJTSA-N	1	0	445.492	2.159	50	5		IEBARO
CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCC([NH3+])(CO)CC2)c([N+](=O)[O-])c1	ZINC000078809033	569299472	/nfs/dbraw/zinc/29/94/72/569299472.db2.gz	ZNNHVSVERXAAHZ-UHFFFAOYSA-N	1	0	434.518	2.100	50	5		IEBARO
C[C@@H]1C[C@@H](C)C[NH+](C[C@@H](O)COc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])C1	ZINC000013076085	569308751	/nfs/dbraw/zinc/30/87/51/569308751.db2.gz	YTPLCPGQHCWEJP-BRWVUGGUSA-N	1	0	441.550	2.097	50	5		IEBARO
O=[N+]([O-])c1ccc(NC[C@H]([C@@H]2CCOC2)[NH+]2CCCC2)c(S(=O)(=O)N2CCCC2)c1	ZINC000058130405	569448045	/nfs/dbraw/zinc/44/80/45/569448045.db2.gz	TVRJIGSRRLHNRW-VQIMIIECSA-N	1	0	438.550	2.292	50	5		IEBARO
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1NCCC[NH+]1CCC(O)CC1	ZINC000040152823	569493535	/nfs/dbraw/zinc/49/35/35/569493535.db2.gz	ZCGYNRFPWVKZCH-UHFFFAOYSA-N	1	0	440.566	2.418	50	5		IEBARO
C[NH+](C)CCCn1c2c(c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nc1=O)CCC2	ZINC000009745866	569565719	/nfs/dbraw/zinc/56/57/19/569565719.db2.gz	LVBJVQNFWDULJJ-UHFFFAOYSA-N	1	0	431.518	2.323	50	5		IEBARO
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@]3(C(=O)Nc4ccccc43)[C@H]2C1=O	ZINC000248131482	556668485	/nfs/dbraw/zinc/66/84/85/556668485.db2.gz	LBRNRVVTGCJPNW-YIKPNSEUSA-N	1	0	448.435	2.035	50	5		IEBARO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@@]3(C(=O)Nc4ccccc43)[C@H]2C1=O	ZINC000248156981	556669847	/nfs/dbraw/zinc/66/98/47/556669847.db2.gz	ZVKMTAKXNRSMST-LEWJJULVSA-N	1	0	448.435	2.035	50	5		IEBARO
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)c1C	ZINC000032932853	556676183	/nfs/dbraw/zinc/67/61/83/556676183.db2.gz	YWTXCOLZBGOAHV-UHFFFAOYSA-N	1	0	432.546	2.438	50	5		IEBARO
Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](C(C)C)[NH2+][C@]32C(=O)Nc3ccccc32)cc1[N+](=O)[O-]	ZINC000016009790	568862623	/nfs/dbraw/zinc/86/26/23/568862623.db2.gz	PZOZGFSRURKQCY-KGYLXKDPSA-N	1	0	434.452	2.484	50	5		IEBARO
CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12	ZINC000138057367	568928170	/nfs/dbraw/zinc/92/81/70/568928170.db2.gz	HHQCQRRWVWWAQL-VKDGWMQASA-N	1	0	446.463	2.440	50	5		IEBARO
CN(C)c1cc(F)c(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)cc1[N+](=O)[O-]	ZINC000253421603	569267133	/nfs/dbraw/zinc/26/71/33/569267133.db2.gz	YNTNRRYFXCQTIL-VQIMIIECSA-N	1	0	430.480	2.413	50	5		IEBARO
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2C(=C(C(=O)c3ccccc3)N3CCC[C@@H]23)C1O	ZINC000245325273	569503317	/nfs/dbraw/zinc/50/33/17/569503317.db2.gz	DTRCFYFVHKQYOT-FRYIKTPZSA-N	1	0	435.436	2.439	50	5		IEBARO
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@@H+]1[C@@]21C(=O)Nc2ccccc21	ZINC000020463683	522975392	/nfs/dbraw/zinc/97/53/92/522975392.db2.gz	LBRNRVVTGCJPNW-QYUDBREXSA-N	1	0	448.435	2.035	50	5		IEBARO
O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1NCCC[NH2+]C1CCCCC1	ZINC000012536548	527339227	/nfs/dbraw/zinc/33/92/27/527339227.db2.gz	TZFZXRXFKZEEJG-UHFFFAOYSA-N	1	0	426.539	2.340	50	5		IEBARO
Cc1ccc(C(=O)C(C(=S)NCCN2CCOCC2)[n+]2ccccc2)cc1[N+](=O)[O-]	ZINC000015953103	563020388	/nfs/dbraw/zinc/02/03/88/563020388.db2.gz	UVPVOVWIBCZDPK-UHFFFAOYSA-O	1	0	429.522	2.324	50	5		IEBARO
C[C@@H]1C[C@@H](C)C[NH+](C[C@H](O)COc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])C1	ZINC000034892382	568739215	/nfs/dbraw/zinc/73/92/15/568739215.db2.gz	YTPLCPGQHCWEJP-ZACQAIPSSA-N	1	0	441.550	2.097	50	5		IEBARO
O=C1Nc2ccc(F)cc2[C@]12[C@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]1[C@@H]1CCCN12	ZINC000016000530	568862071	/nfs/dbraw/zinc/86/20/71/568862071.db2.gz	GJLVQDBLKIAINU-FBAVSBLXSA-N	1	0	436.399	2.165	50	5		IEBARO
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC000058434887	569454735	/nfs/dbraw/zinc/45/47/35/569454735.db2.gz	ZGTUNOKDHKFLPU-SJORKVTESA-N	1	0	438.550	2.435	50	5		IEBARO
C[NH+](C)CCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCNc1ccccc1[N+](=O)[O-]	ZINC000040119374	569489374	/nfs/dbraw/zinc/48/93/74/569489374.db2.gz	GCEHYUUJTUGDJD-NRFANRHFSA-N	1	0	439.516	2.028	50	5		IEBARO
O=C(NC[C@@H]1CCCO1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](C3CCCC3)C[C@H]12	ZINC000035894855	526520742	/nfs/dbraw/zinc/52/07/42/526520742.db2.gz	GZWSQYUSRHVIJX-JAXLGGSGSA-N	1	0	428.533	2.496	50	5		IEBARO
O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1NCCC[NH+]1CCCCCC1	ZINC000012537231	527340008	/nfs/dbraw/zinc/34/00/08/527340008.db2.gz	CPTYBQLNUALVGE-UHFFFAOYSA-N	1	0	426.539	2.294	50	5		IEBARO
Cc1c([N+](=O)[O-])cccc1N1C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@]3(C(=O)Nc4ccccc43)[C@H]2C1=O	ZINC000248121678	556666012	/nfs/dbraw/zinc/66/60/12/556666012.db2.gz	SFXPWAIGSAOZJV-LVBDUCALSA-N	1	0	432.436	2.334	50	5		IEBARO
O=C([C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](Cc3ccccc3)C[C@H]12)N1CCOCC1	ZINC000104915313	557464838	/nfs/dbraw/zinc/46/48/38/557464838.db2.gz	SPFKPGFPNVUMSN-FYYLOGMGSA-N	1	0	436.512	2.317	50	5		IEBARO
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@@H+]1[C@@]21C(=O)Nc2ccccc21	ZINC000034847917	568738392	/nfs/dbraw/zinc/73/83/92/568738392.db2.gz	LBMAHEZVNQZSEB-QPXQOZNCSA-N	1	0	432.436	2.334	50	5		IEBARO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@@H+]1[C@@]21C(=O)Nc2ccccc21	ZINC000020190724	569355659	/nfs/dbraw/zinc/35/56/59/569355659.db2.gz	ZVKMTAKXNRSMST-NSNOHRKYSA-N	1	0	448.435	2.035	50	5		IEBARO
O=[N+]([O-])c1ccc(NC[C@H]([C@H]2CCOC2)[NH+]2CCCC2)c(S(=O)(=O)N2CCCC2)c1	ZINC000058130422	569448027	/nfs/dbraw/zinc/44/80/27/569448027.db2.gz	TVRJIGSRRLHNRW-QFBILLFUSA-N	1	0	438.550	2.292	50	5		IEBARO
C[C@@H]1C[C@H](C)C[N@@H+](C[C@H](O)COc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])C1	ZINC000008825241	569477363	/nfs/dbraw/zinc/47/73/63/569477363.db2.gz	YTPLCPGQHCWEJP-BBWFWOEESA-N	1	0	441.550	2.097	50	5		IEBARO