smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CC[NH+](C(C)(C)C(N)=O)CC2)c([N+](=O)[O-])c1	ZINC000072308870	556567835	/nfs/dbraw/zinc/56/78/35/556567835.db2.gz	ZSDYBSSRSJFURP-FQEVSTJZSA-N	1	2	439.516	2.465	50	5		IEBALO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H]3CCC[N@@H+]3[C@@H](C(=O)c3ccccc3)[C@H]2C1=O	ZINC000248149638	556669313	/nfs/dbraw/zinc/66/93/13/556669313.db2.gz	VHKHFMYNLHHQFA-MVJPYGJCSA-N	1	2	435.436	2.439	50	5		IEBALO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H]3CCC[N@H+]3[C@@H](C(=O)c3ccccc3)[C@H]2C1=O	ZINC000248149638	556669316	/nfs/dbraw/zinc/66/93/16/556669316.db2.gz	VHKHFMYNLHHQFA-MVJPYGJCSA-N	1	2	435.436	2.439	50	5		IEBALO
CC(=O)Nc1ccc(N2C(=O)C[C@H]([NH+]3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C2=O)cc1	ZINC000101359690	557279718	/nfs/dbraw/zinc/27/97/18/557279718.db2.gz	SYZABLXDFQEWSA-FQEVSTJZSA-N	1	2	437.456	2.007	50	5		IEBALO
COc1cc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c([N+](=O)[O-])cc1OC	ZINC000019866997	563023283	/nfs/dbraw/zinc/02/32/83/563023283.db2.gz	QKNSBHUUQTXINE-UHFFFAOYSA-N	1	2	429.429	2.299	50	5		IEBALO
Cc1nn(Cc2ccc(C3N=NC(=S)N3CCC[NH+]3CCOCC3)o2)c(C)c1[N+](=O)[O-]	ZINC000002791133	569421507	/nfs/dbraw/zinc/42/15/07/569421507.db2.gz	CVZMVYZGEVDIAU-UHFFFAOYSA-N	1	2	447.521	2.319	50	5		IEBALO
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCN(c2cccc[nH+]2)CC1	ZINC000009469668	132318786	/nfs/dbraw/zinc/31/87/86/132318786.db2.gz	IQGJZTIXSHTNIZ-UHFFFAOYSA-N	1	2	431.518	2.491	50	5		IEBALO
C[NH+]1CCN(S(=O)(=O)c2ccc(-n3cnc4cc(F)c(F)cc43)c([N+](=O)[O-])c2)CC1	ZINC000012644530	523914421	/nfs/dbraw/zinc/91/44/21/523914421.db2.gz	QSLTUEISWOVVQD-UHFFFAOYSA-N	1	2	437.428	2.148	50	5		IEBALO
COc1ccc(NC(=O)CN2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)c([N+](=O)[O-])c1	ZINC000012860044	524495574	/nfs/dbraw/zinc/49/55/74/524495574.db2.gz	NXNHTPYKPZBBOA-UHFFFAOYSA-N	1	2	426.473	2.295	50	5		IEBALO
O=C(NCc1ccccc1C[NH+]1CCOCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000031833972	526745375	/nfs/dbraw/zinc/74/53/75/526745375.db2.gz	DVBIVEGEIDVVPR-UHFFFAOYSA-N	1	2	439.516	2.459	50	5		IEBALO
Cc1ccc(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(=O)N2CC[NH+](C)CC2)cc1	ZINC000022996759	556839218	/nfs/dbraw/zinc/83/92/18/556839218.db2.gz	ALMWASWXOZXQFC-UHFFFAOYSA-N	1	2	432.502	2.462	50	5		IEBALO
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NCC[NH+]3CCOCC3)c([N+](=O)[O-])c2)C1	ZINC000015208351	568732307	/nfs/dbraw/zinc/73/23/07/568732307.db2.gz	MKDGYGAJNXWWIT-HZPDHXFCSA-N	1	2	426.539	2.006	50	5		IEBALO
COCCCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3cccc[nH+]3)C[C@@H]12	ZINC000169678654	568989975	/nfs/dbraw/zinc/98/99/75/568989975.db2.gz	CXXDUPBBQYZJTR-QUCCMNQESA-N	1	2	425.489	2.010	50	5		IEBALO
COCCCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3cccc[nH+]3)C[C@@H]12	ZINC000169678655	568989992	/nfs/dbraw/zinc/98/99/92/568989992.db2.gz	CXXDUPBBQYZJTR-ICSRJNTNSA-N	1	2	425.489	2.010	50	5		IEBALO
COc1cc(N(C)C)c([N+](=O)[O-])cc1C(=O)NCC[NH+]1CCN(c2ccccc2)CC1	ZINC000055134814	569290538	/nfs/dbraw/zinc/29/05/38/569290538.db2.gz	UHYORXWBDHTYLR-UHFFFAOYSA-N	1	2	427.505	2.221	50	5		IEBALO
Cc1cc(NC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)n(-c2cc(C)[nH+]c(C)n2)n1	ZINC000079052949	569323560	/nfs/dbraw/zinc/32/35/60/569323560.db2.gz	PZTMIPDJIQPGIX-UHFFFAOYSA-N	1	2	430.446	2.152	50	5		IEBALO
Cc1cc(NCCS(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1	ZINC000048302277	557063303	/nfs/dbraw/zinc/06/33/03/557063303.db2.gz	ITJXPKIJUKPCQB-GJZGRUSLSA-N	1	2	435.506	2.211	50	5		IEBALO
COc1cc(NC(=O)CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c(C)cc1[N+](=O)[O-]	ZINC000014356475	557334501	/nfs/dbraw/zinc/33/45/01/557334501.db2.gz	CUYQQKFVJFXALG-UHFFFAOYSA-N	1	2	442.472	2.397	50	5		IEBALO
CC(=O)Nc1cccc(Oc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2[N+](=O)[O-])c1	ZINC000015166389	568731796	/nfs/dbraw/zinc/73/17/96/568731796.db2.gz	BVOZUZVZZXSLKK-UHFFFAOYSA-N	1	2	434.474	2.282	50	5		IEBALO
CN(CCOc1ccccc1)c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-]	ZINC000036329702	569076632	/nfs/dbraw/zinc/07/66/32/569076632.db2.gz	ISTZDJOMPIDANV-UHFFFAOYSA-N	1	2	434.518	2.046	50	5		IEBALO
Cc1[nH+]c2n(c1CN1CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC1)CCCC2	ZINC000095467518	569371081	/nfs/dbraw/zinc/37/10/81/569371081.db2.gz	JTFWRNJHPFSOQH-UHFFFAOYSA-N	1	2	433.534	2.162	50	5		IEBALO
O=C(Cn1cnc2c3ccccc3oc2c1=O)N1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1	ZINC000058007883	569444745	/nfs/dbraw/zinc/44/47/45/569444745.db2.gz	KXRMMDKGMVWKTE-UHFFFAOYSA-N	1	2	447.451	2.395	50	5		IEBALO
COC(=O)C[C@H](c1ccccc1[N+](=O)[O-])c1c(O)cc(C)n(CCc2c[nH+]c[nH]2)c1=O	ZINC000604418849	569448399	/nfs/dbraw/zinc/44/83/99/569448399.db2.gz	KLQZMQNNIWSKTP-MRXNPFEDSA-N	1	2	426.429	2.431	50	5		IEBALO
COC(=O)C[C@H](c1ccccc1[N+](=O)[O-])c1c(O)cc(C)n(CCc2c[nH]c[nH+]2)c1=O	ZINC000604418849	569448400	/nfs/dbraw/zinc/44/84/00/569448400.db2.gz	KLQZMQNNIWSKTP-MRXNPFEDSA-N	1	2	426.429	2.431	50	5		IEBALO
COC(=O)[C@@H]1[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3OC)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@H+]12	ZINC000009312190	569521835	/nfs/dbraw/zinc/52/18/35/569521835.db2.gz	MESZIFLUINCVJA-WTGUMLROSA-N	1	2	449.419	2.292	50	5		IEBALO
COC(=O)[C@@H]1[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3OC)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@@H+]12	ZINC000009312190	569521836	/nfs/dbraw/zinc/52/18/36/569521836.db2.gz	MESZIFLUINCVJA-WTGUMLROSA-N	1	2	449.419	2.292	50	5		IEBALO
COc1ccc(CN(C)c2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2[N+](=O)[O-])cc1	ZINC000012554871	524011377	/nfs/dbraw/zinc/01/13/77/524011377.db2.gz	WETGTPLZDIAHAF-UHFFFAOYSA-N	1	2	434.518	2.176	50	5		IEBALO
Cc1ccc(C(=O)NCC(=O)N[C@H](c2[nH+]ccn2C)c2ccc(F)cc2)cc1[N+](=O)[O-]	ZINC000012601969	526154834	/nfs/dbraw/zinc/15/48/34/526154834.db2.gz	POJFCPCQEVPUBT-IBGZPJMESA-N	1	2	425.420	2.411	50	5		IEBALO
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)OCC(=O)NCc1ccccc1C[NH+]1CCOCC1	ZINC000021838846	527619843	/nfs/dbraw/zinc/61/98/43/527619843.db2.gz	WYYIACKSXQVINK-JXMROGBWSA-N	1	2	439.468	2.300	50	5		IEBALO
O=C1Nc2ccc([N+](=O)[O-])cc2O[C@H]1CCN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1	ZINC000008925722	562966143	/nfs/dbraw/zinc/96/61/43/562966143.db2.gz	OPDDWGLLAKNNEI-IBGZPJMESA-N	1	2	440.456	2.231	50	5		IEBALO
C[NH+]1CCN(S(=O)(=O)c2ccc(Oc3ccc(-c4nnco4)cc3)c([N+](=O)[O-])c2)CC1	ZINC000034859760	568738579	/nfs/dbraw/zinc/73/85/79/568738579.db2.gz	FLZMSFLKXPRSJV-UHFFFAOYSA-N	1	2	445.457	2.373	50	5		IEBALO
COC(=O)c1cc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc([N+](=O)[O-])c1	ZINC000019831341	569330190	/nfs/dbraw/zinc/33/01/90/569330190.db2.gz	VUFPBMNDSXDLIM-UHFFFAOYSA-N	1	2	427.413	2.068	50	5		IEBALO
CC(=O)Nc1ccc(N2C(=O)C[C@@H]([NH+]3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C2=O)cc1	ZINC000019889973	569331646	/nfs/dbraw/zinc/33/16/46/569331646.db2.gz	SYZABLXDFQEWSA-HXUWFJFHSA-N	1	2	437.456	2.007	50	5		IEBALO
O=C(NCCN1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1)C(=O)Nc1ccc(Cl)cc1	ZINC000095481277	569374072	/nfs/dbraw/zinc/37/40/72/569374072.db2.gz	FWCPHXHJVGLDMW-UHFFFAOYSA-N	1	2	445.907	2.121	50	5		IEBALO
C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[NH+](CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1	ZINC000008728206	569472395	/nfs/dbraw/zinc/47/23/95/569472395.db2.gz	LLXMCLBTHQIIPX-KURKYZTESA-N	1	2	431.537	2.044	50	5		IEBALO
COCCCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3cccc[nH+]3)C[C@H]12	ZINC000035894585	523353568	/nfs/dbraw/zinc/35/35/68/523353568.db2.gz	CXXDUPBBQYZJTR-UYAOXDASSA-N	1	2	425.489	2.010	50	5		IEBALO
Cc1ccc(C(=O)NCC(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(F)cc2)cc1[N+](=O)[O-]	ZINC000012601972	526156023	/nfs/dbraw/zinc/15/60/23/526156023.db2.gz	POJFCPCQEVPUBT-LJQANCHMSA-N	1	2	425.420	2.411	50	5		IEBALO
Cc1cccn2c1nc1c(cc(C(=O)NC3CCCC3)c(=N)n1CCCn1cc[nH+]c1)c2=O	ZINC000100630721	556636679	/nfs/dbraw/zinc/63/66/79/556636679.db2.gz	AMRLNGHFGOGACS-UHFFFAOYSA-N	1	2	445.527	2.396	50	5		IEBALO
CCN(CC)S(=O)(=O)c1ccc(NCC(C)(C)[NH+]2CCN(C)CC2)c([N+](=O)[O-])c1	ZINC000024831343	557165441	/nfs/dbraw/zinc/16/54/41/557165441.db2.gz	JYKRFAQUJIKKDW-UHFFFAOYSA-N	1	2	427.571	2.063	50	5		IEBALO
O=C(CC[NH+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)Nc1ccccc1F	ZINC000015936762	563018978	/nfs/dbraw/zinc/01/89/78/563018978.db2.gz	ZPPNLFTVWLELTQ-UHFFFAOYSA-N	1	2	436.465	2.069	50	5		IEBALO
COc1ccc(C[NH+]2CCN(C(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1F	ZINC000025199395	568647515	/nfs/dbraw/zinc/64/75/15/568647515.db2.gz	MBIMSLCBSQBMQC-UHFFFAOYSA-N	1	2	444.463	2.207	50	5		IEBALO
C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NCC[NH+]3CCOCC3)c([N+](=O)[O-])c2)C1	ZINC000015208354	568732118	/nfs/dbraw/zinc/73/21/18/568732118.db2.gz	MKDGYGAJNXWWIT-IYBDPMFKSA-N	1	2	426.539	2.006	50	5		IEBALO
Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1	ZINC000170603730	569143701	/nfs/dbraw/zinc/14/37/01/569143701.db2.gz	HIODWICRIXBPOE-ZDUSSCGKSA-N	1	2	448.339	2.009	50	5		IEBALO
Nc1nc(NCC[NH+]2CCOCC2)nc(N2CCC(Cc3ccccc3)CC2)c1[N+](=O)[O-]	ZINC000016757506	569161107	/nfs/dbraw/zinc/16/11/07/569161107.db2.gz	DZYQOEVVCMTUQA-UHFFFAOYSA-N	1	2	441.536	2.170	50	5		IEBALO
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H]3CCC[N@@H+]3[C@H](C(=O)c3ccccc3)[C@H]2C1=O	ZINC000217595027	569449645	/nfs/dbraw/zinc/44/96/45/569449645.db2.gz	DTRCFYFVHKQYOT-GTAWCEEGSA-N	1	2	435.436	2.439	50	5		IEBALO
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H]3CCC[N@H+]3[C@H](C(=O)c3ccccc3)[C@H]2C1=O	ZINC000217595027	569449646	/nfs/dbraw/zinc/44/96/46/569449646.db2.gz	DTRCFYFVHKQYOT-GTAWCEEGSA-N	1	2	435.436	2.439	50	5		IEBALO
O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)NCC[NH+]1CCOCC1	ZINC000020902891	527318676	/nfs/dbraw/zinc/31/86/76/527318676.db2.gz	VUABXGDFEGHTJL-UHFFFAOYSA-N	1	2	435.484	2.438	50	5		IEBALO
C[NH+](C)CCN1C(=O)C(=O)C(S(=O)(=O)c2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000024193218	556689366	/nfs/dbraw/zinc/68/93/66/556689366.db2.gz	VGZHPDWERKIASY-KRWDZBQOSA-N	1	2	431.470	2.283	50	5		IEBALO
Cc1ccc(S(=O)(=O)N(Cc2cccc([N+](=O)[O-])c2)C(=O)N2CC[NH+](C)CC2)cc1	ZINC000022996775	556839089	/nfs/dbraw/zinc/83/90/89/556839089.db2.gz	OXGCMCVIJWNBFS-UHFFFAOYSA-N	1	2	432.502	2.462	50	5		IEBALO
C[NH+]1CCN(S(=O)(=O)c2ccc(N3CCC[C@@H](C(F)(F)F)C3)c([N+](=O)[O-])c2)CC1	ZINC000014094846	557301090	/nfs/dbraw/zinc/30/10/90/557301090.db2.gz	KWKXYTBVQSBIES-CYBMUJFWSA-N	1	2	436.456	2.310	50	5		IEBALO
O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CC[NH+](C/C=C/c2ccccc2)CC1	ZINC000025480674	568659894	/nfs/dbraw/zinc/65/98/94/568659894.db2.gz	DAKHYRIZTRCNES-VMPITWQZSA-N	1	2	434.452	2.048	50	5		IEBALO
O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1	ZINC000016212533	568873266	/nfs/dbraw/zinc/87/32/66/568873266.db2.gz	RHLKLYNWTSMAIQ-UHFFFAOYSA-N	1	2	442.859	2.189	50	5		IEBALO
O=C(NC1CCCC1)[C@H](c1cc2c(cc1[N+](=O)[O-])OCO2)[NH+]1CCC2(CC1)OCCO2	ZINC000036067089	568945123	/nfs/dbraw/zinc/94/51/23/568945123.db2.gz	YVAXYKNWEACLGL-IBGZPJMESA-N	1	2	433.461	2.262	50	5		IEBALO
COc1ccccc1Cn1ccc2nc3ccn(CC[NH+]4CCOCC4)c(=O)c3cc2c1=O	ZINC000036358534	569085280	/nfs/dbraw/zinc/08/52/80/569085280.db2.gz	LPWMGXCVNDQNMF-UHFFFAOYSA-N	1	2	446.507	2.101	50	5		IEBALO
O=C([C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3cccc[nH+]3)C[C@H]12)N1CCSCC1	ZINC000225093587	569215991	/nfs/dbraw/zinc/21/59/91/569215991.db2.gz	SQLKJZYESRBZJX-UYAOXDASSA-N	1	2	439.541	2.433	50	5		IEBALO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@@H+]1[C@@H]2C(=O)c1ccccc1	ZINC000020190506	569355652	/nfs/dbraw/zinc/35/56/52/569355652.db2.gz	VHKHFMYNLHHQFA-OBZTUIKSSA-N	1	2	435.436	2.439	50	5		IEBALO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@H+]1[C@@H]2C(=O)c1ccccc1	ZINC000020190506	569355653	/nfs/dbraw/zinc/35/56/53/569355653.db2.gz	VHKHFMYNLHHQFA-OBZTUIKSSA-N	1	2	435.436	2.439	50	5		IEBALO
O=C([C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3cccc[nH+]3)C[C@@H]12)N1CCSCC1	ZINC000035870920	526569297	/nfs/dbraw/zinc/56/92/97/526569297.db2.gz	SQLKJZYESRBZJX-ICSRJNTNSA-N	1	2	439.541	2.433	50	5		IEBALO
COc1ccc(C[NH+]2CCN(C(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1	ZINC000024307943	556719211	/nfs/dbraw/zinc/71/92/11/556719211.db2.gz	BCERFOJPUUWVRS-UHFFFAOYSA-N	1	2	426.473	2.068	50	5		IEBALO
O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1[C@@H]2C(=O)NC(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@H+]12	ZINC000247306444	556792322	/nfs/dbraw/zinc/79/23/22/556792322.db2.gz	GUDLRFKUINIPKG-ZJPYXAASSA-N	1	2	438.827	2.485	50	5		IEBALO
O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1[C@@H]2C(=O)NC(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@@H+]12	ZINC000247306444	556792325	/nfs/dbraw/zinc/79/23/25/556792325.db2.gz	GUDLRFKUINIPKG-ZJPYXAASSA-N	1	2	438.827	2.485	50	5		IEBALO
CCOC(=O)c1cccc(Oc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2[N+](=O)[O-])c1	ZINC000015165436	568731880	/nfs/dbraw/zinc/73/18/80/568731880.db2.gz	HXNARDKOHVIWMS-UHFFFAOYSA-N	1	2	449.485	2.500	50	5		IEBALO
COCCCNC(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000036253098	568984279	/nfs/dbraw/zinc/98/42/79/568984279.db2.gz	SFUZAAPVVLAVQO-HXUWFJFHSA-N	1	2	432.521	2.064	50	5		IEBALO
Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](C[NH+]2CCOCC2)C1	ZINC000170603729	569143696	/nfs/dbraw/zinc/14/36/96/569143696.db2.gz	HIODWICRIXBPOE-CYBMUJFWSA-N	1	2	448.339	2.009	50	5		IEBALO
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H]3CCC[N@@H+]3[C@@H](C(=O)c3ccccc3)[C@H]2C1=O	ZINC000245325272	569503337	/nfs/dbraw/zinc/50/33/37/569503337.db2.gz	DTRCFYFVHKQYOT-BTHPGYMESA-N	1	2	435.436	2.439	50	5		IEBALO
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H]3CCC[N@H+]3[C@@H](C(=O)c3ccccc3)[C@H]2C1=O	ZINC000245325272	569503338	/nfs/dbraw/zinc/50/33/38/569503338.db2.gz	DTRCFYFVHKQYOT-BTHPGYMESA-N	1	2	435.436	2.439	50	5		IEBALO
COc1ccccc1-n1ccc2nc3ccn(CC[NH+]4CCOCC4)c(=O)c3cc2c1=O	ZINC000038829007	556620798	/nfs/dbraw/zinc/62/07/98/556620798.db2.gz	LDWZTWPCKBKSOQ-UHFFFAOYSA-N	1	2	432.480	2.041	50	5		IEBALO
C[NH+]1CCN(S(=O)(=O)c2ccc(N3CCC[C@H](C(F)(F)F)C3)c([N+](=O)[O-])c2)CC1	ZINC000014094847	557301521	/nfs/dbraw/zinc/30/15/21/557301521.db2.gz	KWKXYTBVQSBIES-ZDUSSCGKSA-N	1	2	436.456	2.310	50	5		IEBALO
COc1cc(Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2[N+](=O)[O-])cc(OC)c1	ZINC000036321447	563092739	/nfs/dbraw/zinc/09/27/39/563092739.db2.gz	CSZQMZOIBDWWHS-UHFFFAOYSA-N	1	2	436.490	2.292	50	5		IEBALO
CCc1ccc(NC(=O)C(=O)NCCN2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)cc1	ZINC000095393632	563180616	/nfs/dbraw/zinc/18/06/16/563180616.db2.gz	JLSCVSBTOPSDAL-UHFFFAOYSA-N	1	2	439.516	2.030	50	5		IEBALO
COc1ccc(S(=O)(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cc1[N+](=O)[O-]	ZINC000015357398	568758504	/nfs/dbraw/zinc/75/85/04/568758504.db2.gz	HKHBJHVQWHGUFW-UHFFFAOYSA-N	1	2	435.506	2.336	50	5		IEBALO
C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccccc3[N+](=O)[O-])c2)CC1	ZINC000036245423	568981461	/nfs/dbraw/zinc/98/14/61/568981461.db2.gz	MORVLMBDABSUTK-UHFFFAOYSA-N	1	2	438.893	2.437	50	5		IEBALO
C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[NH+](CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1	ZINC000195536674	569204205	/nfs/dbraw/zinc/20/42/05/569204205.db2.gz	LLXMCLBTHQIIPX-KZNAEPCWSA-N	1	2	431.537	2.044	50	5		IEBALO
COc1ccc(C)cc1CN(C)c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-]	ZINC000012523147	523807850	/nfs/dbraw/zinc/80/78/50/523807850.db2.gz	KPMCDZHBAQKAOV-UHFFFAOYSA-N	1	2	448.545	2.484	50	5		IEBALO
COc1ccccc1CN(C)c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-]	ZINC000012564318	524436969	/nfs/dbraw/zinc/43/69/69/524436969.db2.gz	VAWSQXJPTQBECJ-UHFFFAOYSA-N	1	2	434.518	2.176	50	5		IEBALO
Cc1ccc2nc3c(cc(C(=O)NC4CCCC4)c(=N)n3CCCn3cc[nH+]c3)c(=O)n2c1	ZINC000013108243	556461980	/nfs/dbraw/zinc/46/19/80/556461980.db2.gz	RNJDVLJNFHIOHK-UHFFFAOYSA-N	1	2	445.527	2.396	50	5		IEBALO
Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CC[NH+](C(C)(C)C(N)=O)CC2)c([N+](=O)[O-])c1	ZINC000072308869	556567839	/nfs/dbraw/zinc/56/78/39/556567839.db2.gz	ZSDYBSSRSJFURP-HXUWFJFHSA-N	1	2	439.516	2.465	50	5		IEBALO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H]3CCC[N@@H+]3[C@H](C(=O)c3ccccc3)[C@H]2C1=O	ZINC000248149633	556669208	/nfs/dbraw/zinc/66/92/08/556669208.db2.gz	VHKHFMYNLHHQFA-KNTRFNDTSA-N	1	2	435.436	2.439	50	5		IEBALO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H]3CCC[N@H+]3[C@H](C(=O)c3ccccc3)[C@H]2C1=O	ZINC000248149633	556669210	/nfs/dbraw/zinc/66/92/10/556669210.db2.gz	VHKHFMYNLHHQFA-KNTRFNDTSA-N	1	2	435.436	2.439	50	5		IEBALO
O=C(NCCCn1cc[nH+]c1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000023077833	556993578	/nfs/dbraw/zinc/99/35/78/556993578.db2.gz	SCYCJQPYUSEDLH-UHFFFAOYSA-N	1	2	429.458	2.412	50	5		IEBALO
O=[N+]([O-])c1ccc2cnn(C[NH+]3CCC(NS(=O)(=O)c4ccc(F)cc4)CC3)c2c1	ZINC000048272310	557050874	/nfs/dbraw/zinc/05/08/74/557050874.db2.gz	CBRWJOCKFVRBEU-UHFFFAOYSA-N	1	2	433.465	2.484	50	5		IEBALO
COC(=O)[C@@H]1[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3OC)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@@H+]21	ZINC000103887522	557442591	/nfs/dbraw/zinc/44/25/91/557442591.db2.gz	MESZIFLUINCVJA-YRPNKDGESA-N	1	2	449.419	2.292	50	5		IEBALO
COC(=O)[C@@H]1[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3OC)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@H+]21	ZINC000103887522	557442593	/nfs/dbraw/zinc/44/25/93/557442593.db2.gz	MESZIFLUINCVJA-YRPNKDGESA-N	1	2	449.419	2.292	50	5		IEBALO
CN1CC[NH+](C(C)(C)CNc2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])CC1	ZINC000024988694	557830030	/nfs/dbraw/zinc/83/00/30/557830030.db2.gz	JWXBZLVHMPJZND-UHFFFAOYSA-N	1	2	439.582	2.207	50	5		IEBALO
Cc1c([N+](=O)[O-])cc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1[N+](=O)[O-]	ZINC000017095743	569172933	/nfs/dbraw/zinc/17/29/33/569172933.db2.gz	GYSNUNFYDONBQF-UHFFFAOYSA-N	1	2	428.401	2.498	50	5		IEBALO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H]3CCC[N@@H+]3[C@H](C(=O)c3ccccc3)[C@H]2C1=O	ZINC000199036146	569209561	/nfs/dbraw/zinc/20/95/61/569209561.db2.gz	VHKHFMYNLHHQFA-TTYHFUOFSA-N	1	2	435.436	2.439	50	5		IEBALO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H]3CCC[N@H+]3[C@H](C(=O)c3ccccc3)[C@H]2C1=O	ZINC000199036146	569209562	/nfs/dbraw/zinc/20/95/62/569209562.db2.gz	VHKHFMYNLHHQFA-TTYHFUOFSA-N	1	2	435.436	2.439	50	5		IEBALO
O=C1N(C[NH+]2CCCCC2)c2ccccc2C12OCC(Br)([N+](=O)[O-])CO2	ZINC000003641313	569455555	/nfs/dbraw/zinc/45/55/55/569455555.db2.gz	CAYNLWSDFSCKPP-UHFFFAOYSA-N	1	2	426.267	2.044	50	5		IEBALO
C[NH+]1CCN(S(=O)(=O)c2ccc(N3CCO[C@@H](c4ccccc4)C3)c([N+](=O)[O-])c2)CC1	ZINC000012644605	523914823	/nfs/dbraw/zinc/91/48/23/523914823.db2.gz	YNPMUHVAOHLWBC-OAQYLSRUSA-N	1	2	446.529	2.109	50	5		IEBALO
Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000012799905	524280764	/nfs/dbraw/zinc/28/07/64/524280764.db2.gz	XJFRLGVNLQFREZ-SFHVURJKSA-N	1	2	439.516	2.477	50	5		IEBALO
Cc1cc(=O)c(C(=O)N2CC[NH+](Cc3ccccc3)CC2)nn1-c1ccccc1[N+](=O)[O-]	ZINC000012884631	526126247	/nfs/dbraw/zinc/12/62/47/526126247.db2.gz	RYSMNDFCPPGVMU-UHFFFAOYSA-N	1	2	433.468	2.407	50	5		IEBALO
Cc1cc(NCCS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1	ZINC000048302276	557063274	/nfs/dbraw/zinc/06/32/74/557063274.db2.gz	ITJXPKIJUKPCQB-HUUCEWRRSA-N	1	2	435.506	2.211	50	5		IEBALO
C[NH+]1CCN(S(=O)(=O)c2ccc(SC[C@H](O)c3ccccc3)c([N+](=O)[O-])c2)CC1	ZINC000048302535	557063800	/nfs/dbraw/zinc/06/38/00/557063800.db2.gz	IRJGOMIEQYINRN-SFHVURJKSA-N	1	2	437.543	2.357	50	5		IEBALO
O=C1Nc2ccc([N+](=O)[O-])cc2O[C@@H]1CCN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1	ZINC000012958753	562983697	/nfs/dbraw/zinc/98/36/97/562983697.db2.gz	OPDDWGLLAKNNEI-LJQANCHMSA-N	1	2	440.456	2.231	50	5		IEBALO
O=C(CSc1nc2ccccc2c2[nH+]c3ccccc3n21)N[C@@H]1CCS(=O)(=O)C1	ZINC000005981477	568739888	/nfs/dbraw/zinc/73/98/88/568739888.db2.gz	DQCJEMBTGVAMQD-CYBMUJFWSA-N	1	2	426.523	2.431	50	5		IEBALO
Cc1ccc2[nH+]c(CNc3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])cn2c1	ZINC000253415388	569266247	/nfs/dbraw/zinc/26/62/47/569266247.db2.gz	LFRMNPGVHGCFSG-UHFFFAOYSA-N	1	2	431.474	2.184	50	5		IEBALO
COC(=O)C[C@@H](c1ccccc1[N+](=O)[O-])c1c(O)cc(C)n(CCc2c[nH+]c[nH]2)c1=O	ZINC000604418846	569448350	/nfs/dbraw/zinc/44/83/50/569448350.db2.gz	KLQZMQNNIWSKTP-INIZCTEOSA-N	1	2	426.429	2.431	50	5		IEBALO
COC(=O)C[C@@H](c1ccccc1[N+](=O)[O-])c1c(O)cc(C)n(CCc2c[nH]c[nH+]2)c1=O	ZINC000604418846	569448351	/nfs/dbraw/zinc/44/83/51/569448351.db2.gz	KLQZMQNNIWSKTP-INIZCTEOSA-N	1	2	426.429	2.431	50	5		IEBALO
COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)NC2CC[NH+](C)CC2)cc1	ZINC000039979644	569482189	/nfs/dbraw/zinc/48/21/89/569482189.db2.gz	YFODILCBWLYLTC-UHFFFAOYSA-N	1	2	448.501	2.228	50	5		IEBALO
CNS(=O)(=O)c1ccc(N[C@@H](c2[nH+]ccn2C)c2ccccc2OC)c([N+](=O)[O-])c1	ZINC000017591293	522292906	/nfs/dbraw/zinc/29/29/06/522292906.db2.gz	YLOYINJPALIHSF-GOSISDBHSA-N	1	2	431.474	2.447	50	5		IEBALO
COc1cccc(CN(C)c2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2[N+](=O)[O-])c1	ZINC000012553383	525921286	/nfs/dbraw/zinc/92/12/86/525921286.db2.gz	VCFRLWMYVJQUFE-UHFFFAOYSA-N	1	2	434.518	2.176	50	5		IEBALO
COc1ccc(Cn2ccc3nc4ccn(CC[NH+]5CCOCC5)c(=O)c4cc3c2=O)cc1	ZINC000036125572	556593266	/nfs/dbraw/zinc/59/32/66/556593266.db2.gz	DNMAZXTXDYALAK-UHFFFAOYSA-N	1	2	446.507	2.101	50	5		IEBALO
O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)NC(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@@H+]21	ZINC000247306414	556792308	/nfs/dbraw/zinc/79/23/08/556792308.db2.gz	GUDLRFKUINIPKG-BDXSIMOUSA-N	1	2	438.827	2.485	50	5		IEBALO
O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)NC(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@H+]21	ZINC000247306414	556792311	/nfs/dbraw/zinc/79/23/11/556792311.db2.gz	GUDLRFKUINIPKG-BDXSIMOUSA-N	1	2	438.827	2.485	50	5		IEBALO
Cc1cc(NCCS(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1	ZINC000048302275	557063315	/nfs/dbraw/zinc/06/33/15/557063315.db2.gz	ITJXPKIJUKPCQB-GASCZTMLSA-N	1	2	435.506	2.211	50	5		IEBALO
O=C(NC1CCCC1)[C@@H](c1cc2c(cc1[N+](=O)[O-])OCO2)[NH+]1CCC2(CC1)OCCO2	ZINC000036067090	568945023	/nfs/dbraw/zinc/94/50/23/568945023.db2.gz	YVAXYKNWEACLGL-LJQANCHMSA-N	1	2	433.461	2.262	50	5		IEBALO
CCC[C@@]1(COC)CCCN1c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-]	ZINC000225577963	569404820	/nfs/dbraw/zinc/40/48/20/569404820.db2.gz	MWKCLNKRGRPVJO-FQEVSTJZSA-N	1	2	440.566	2.316	50	5		IEBALO
Cc1cccn2cc(COc3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])[nH+]c12	ZINC000009367224	569526380	/nfs/dbraw/zinc/52/63/80/569526380.db2.gz	MHLMHHAAOARUSM-UHFFFAOYSA-N	1	2	432.458	2.151	50	5		IEBALO
O=C(CSc1nc2ccccc2c2[nH+]c3ccccc3n21)N[C@H]1CCS(=O)(=O)C1	ZINC000009467524	569538458	/nfs/dbraw/zinc/53/84/58/569538458.db2.gz	DQCJEMBTGVAMQD-ZDUSSCGKSA-N	1	2	426.523	2.431	50	5		IEBALO
COCCCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3cccc[nH+]3)C[C@H]12	ZINC000035894587	523363394	/nfs/dbraw/zinc/36/33/94/523363394.db2.gz	CXXDUPBBQYZJTR-AZUAARDMSA-N	1	2	425.489	2.010	50	5		IEBALO
O=C([C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3cccc[nH+]3)C[C@@H]12)N1CCSCC1	ZINC000169681559	568992360	/nfs/dbraw/zinc/99/23/60/568992360.db2.gz	SQLKJZYESRBZJX-QUCCMNQESA-N	1	2	439.541	2.433	50	5		IEBALO
Cn1cc(C[NH+]2CCN(C(=O)c3ccc(Cn4cc(Cl)c([N+](=O)[O-])n4)cc3)CC2)cn1	ZINC000019639348	569324682	/nfs/dbraw/zinc/32/46/82/569324682.db2.gz	AXQKYTFUBSJOIA-UHFFFAOYSA-N	1	2	443.895	2.185	50	5		IEBALO
Nc1cc(=O)[nH]c(SCC[NH+]2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)n1	ZINC000020136224	569335255	/nfs/dbraw/zinc/33/52/55/569335255.db2.gz	HAJNGRXCQISHFK-UHFFFAOYSA-N	1	2	444.439	2.193	50	5		IEBALO
COc1ccccc1C[NH+]1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000095348999	569361690	/nfs/dbraw/zinc/36/16/90/569361690.db2.gz	SWRAWTTZKSKQHV-UHFFFAOYSA-N	1	2	426.473	2.068	50	5		IEBALO
C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[NH+](CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1	ZINC000096126944	569385774	/nfs/dbraw/zinc/38/57/74/569385774.db2.gz	LLXMCLBTHQIIPX-KSZLIROESA-N	1	2	431.537	2.044	50	5		IEBALO
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H]3CCC[N@@H+]3[C@H](C(=O)c3ccccc3)[C@H]2C1=O	ZINC000245325274	569503327	/nfs/dbraw/zinc/50/33/27/569503327.db2.gz	DTRCFYFVHKQYOT-LEAZDLGRSA-N	1	2	435.436	2.439	50	5		IEBALO
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H]3CCC[N@H+]3[C@H](C(=O)c3ccccc3)[C@H]2C1=O	ZINC000245325274	569503328	/nfs/dbraw/zinc/50/33/28/569503328.db2.gz	DTRCFYFVHKQYOT-LEAZDLGRSA-N	1	2	435.436	2.439	50	5		IEBALO
CN(CC(=O)Nc1ccccc1Cl)C(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000012633936	522517540	/nfs/dbraw/zinc/51/75/40/522517540.db2.gz	RFULICQRHGOECN-UHFFFAOYSA-N	1	2	445.907	2.467	50	5		IEBALO
Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000012799896	524277675	/nfs/dbraw/zinc/27/76/75/524277675.db2.gz	XJFRLGVNLQFREZ-GOSISDBHSA-N	1	2	439.516	2.477	50	5		IEBALO
O=C(CC[NH+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)Nc1ccc(F)cc1	ZINC000020766429	526487805	/nfs/dbraw/zinc/48/78/05/526487805.db2.gz	DKYCXXRAEGYENR-UHFFFAOYSA-N	1	2	436.465	2.069	50	5		IEBALO
O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)NC(=O)[C@H]2[C@H]2c3ccccc3C=C[N@H+]12	ZINC000247306433	556792297	/nfs/dbraw/zinc/79/22/97/556792297.db2.gz	GUDLRFKUINIPKG-TVFCKZIOSA-N	1	2	438.827	2.485	50	5		IEBALO
O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)NC(=O)[C@H]2[C@H]2c3ccccc3C=C[N@@H+]12	ZINC000247306433	556792302	/nfs/dbraw/zinc/79/23/02/556792302.db2.gz	GUDLRFKUINIPKG-TVFCKZIOSA-N	1	2	438.827	2.485	50	5		IEBALO
C[NH+]1CCN(S(=O)(=O)c2cc(C(=O)Nc3ccccc3[N+](=O)[O-])ccc2Cl)CC1	ZINC000016213068	568873205	/nfs/dbraw/zinc/87/32/05/568873205.db2.gz	NEMDCUQGZHELKJ-UHFFFAOYSA-N	1	2	438.893	2.437	50	5		IEBALO
O=C([C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3cccc[nH+]3)C[C@H]12)N1CCSCC1	ZINC000225093641	569215898	/nfs/dbraw/zinc/21/58/98/569215898.db2.gz	SQLKJZYESRBZJX-AZUAARDMSA-N	1	2	439.541	2.433	50	5		IEBALO
C[NH+]1CCN(S(=O)(=O)c2ccc(N[C@H]3CCc4c3cccc4O)c([N+](=O)[O-])c2)CC1	ZINC000072307624	556560269	/nfs/dbraw/zinc/56/02/69/556560269.db2.gz	VNDRFQMCRNHYIM-KRWDZBQOSA-N	1	2	432.502	2.336	50	5		IEBALO
C[NH+]1CCN(S(=O)(=O)c2ccc(N[C@@H]3CCc4c3cccc4O)c([N+](=O)[O-])c2)CC1	ZINC000072307623	556560331	/nfs/dbraw/zinc/56/03/31/556560331.db2.gz	VNDRFQMCRNHYIM-QGZVFWFLSA-N	1	2	432.502	2.336	50	5		IEBALO
CNS(=O)(=O)c1ccc(N[C@H](c2[nH+]ccn2C)c2ccccc2OC)c([N+](=O)[O-])c1	ZINC000017591292	557102256	/nfs/dbraw/zinc/10/22/56/557102256.db2.gz	YLOYINJPALIHSF-SFHVURJKSA-N	1	2	431.474	2.447	50	5		IEBALO
C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[NH+](CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1	ZINC000108974035	557545121	/nfs/dbraw/zinc/54/51/21/557545121.db2.gz	LLXMCLBTHQIIPX-FGTMMUONSA-N	1	2	431.537	2.044	50	5		IEBALO
COCCCNC(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000036253101	568984362	/nfs/dbraw/zinc/98/43/62/568984362.db2.gz	SFUZAAPVVLAVQO-FQEVSTJZSA-N	1	2	432.521	2.064	50	5		IEBALO
CCC[C@]1(COC)CCCN1c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-]	ZINC000225577933	569404841	/nfs/dbraw/zinc/40/48/41/569404841.db2.gz	MWKCLNKRGRPVJO-HXUWFJFHSA-N	1	2	440.566	2.316	50	5		IEBALO
COc1cc2c(cc1OC)CN(C(=O)C[NH+]1CCN(c3ccc([N+](=O)[O-])cc3)CC1)CC2	ZINC000057121261	569429525	/nfs/dbraw/zinc/42/95/25/569429525.db2.gz	MVMDUPAIHWLOQL-UHFFFAOYSA-N	1	2	440.500	2.319	50	5		IEBALO
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H]3CCC[N@@H+]3[C@@H](C(=O)c3ccccc3)[C@H]2C1=O	ZINC000245325273	569503318	/nfs/dbraw/zinc/50/33/18/569503318.db2.gz	DTRCFYFVHKQYOT-FRYIKTPZSA-N	1	2	435.436	2.439	50	5		IEBALO
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H]3CCC[N@H+]3[C@@H](C(=O)c3ccccc3)[C@H]2C1=O	ZINC000245325273	569503319	/nfs/dbraw/zinc/50/33/19/569503319.db2.gz	DTRCFYFVHKQYOT-FRYIKTPZSA-N	1	2	435.436	2.439	50	5		IEBALO
C[NH+]1CCN(S(=O)(=O)c2ccc(Oc3ccc4ccc(=O)oc4c3)c([N+](=O)[O-])c2)CC1	ZINC000034800111	556582627	/nfs/dbraw/zinc/58/26/27/556582627.db2.gz	ACINIFZITHSGSP-UHFFFAOYSA-N	1	2	445.453	2.430	50	5		IEBALO
C[NH+](C)CCN1C(=O)C(=O)C(S(=O)(=O)c2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000024193219	556689325	/nfs/dbraw/zinc/68/93/25/556689325.db2.gz	VGZHPDWERKIASY-QGZVFWFLSA-N	1	2	431.470	2.283	50	5		IEBALO
O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1[C@@H]2C(=O)NC(=O)[C@H]2[C@H]2c3ccccc3C=C[N@H+]12	ZINC000247306427	556792220	/nfs/dbraw/zinc/79/22/20/556792220.db2.gz	GUDLRFKUINIPKG-BRSBDYLESA-N	1	2	438.827	2.485	50	5		IEBALO
O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1[C@@H]2C(=O)NC(=O)[C@H]2[C@H]2c3ccccc3C=C[N@@H+]12	ZINC000247306427	556792226	/nfs/dbraw/zinc/79/22/26/556792226.db2.gz	GUDLRFKUINIPKG-BRSBDYLESA-N	1	2	438.827	2.485	50	5		IEBALO
C[NH+]1CCN(S(=O)(=O)c2ccc(SC[C@@H](O)c3ccccc3)c([N+](=O)[O-])c2)CC1	ZINC000048302536	557063620	/nfs/dbraw/zinc/06/36/20/557063620.db2.gz	IRJGOMIEQYINRN-GOSISDBHSA-N	1	2	437.543	2.357	50	5		IEBALO
C[NH+]1CCN(C(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000019797585	563023142	/nfs/dbraw/zinc/02/31/42/563023142.db2.gz	LBRRSKNIUNZCGX-UHFFFAOYSA-N	1	2	434.456	2.420	50	5		IEBALO
COC(=O)[C@@H]1[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3OC)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@@H+]21	ZINC000001312024	568779495	/nfs/dbraw/zinc/77/94/95/568779495.db2.gz	MESZIFLUINCVJA-ZRNYENFQSA-N	1	2	449.419	2.292	50	5		IEBALO
COC(=O)[C@@H]1[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3OC)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@H+]21	ZINC000001312024	568779496	/nfs/dbraw/zinc/77/94/96/568779496.db2.gz	MESZIFLUINCVJA-ZRNYENFQSA-N	1	2	449.419	2.292	50	5		IEBALO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H]3CCC[N@@H+]3[C@@H](C(=O)c3ccccc3)[C@H]2C1=O	ZINC000002234730	569211469	/nfs/dbraw/zinc/21/14/69/569211469.db2.gz	VHKHFMYNLHHQFA-XFWGSAIBSA-N	1	2	435.436	2.439	50	5		IEBALO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H]3CCC[N@H+]3[C@@H](C(=O)c3ccccc3)[C@H]2C1=O	ZINC000002234730	569211470	/nfs/dbraw/zinc/21/14/70/569211470.db2.gz	VHKHFMYNLHHQFA-XFWGSAIBSA-N	1	2	435.436	2.439	50	5		IEBALO
O=C(CCNC(=O)c1ccc(F)cc1F)N1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1	ZINC000095377517	569363144	/nfs/dbraw/zinc/36/31/44/569363144.db2.gz	HAUVGHVXCSZWOQ-UHFFFAOYSA-N	1	2	432.427	2.337	50	5		IEBALO
COCC(=O)N1CCN(c2nc(C3CC3)[nH+]c(C)c2Cc2ccc([N+](=O)[O-])cc2)CC1	ZINC000096316921	569393078	/nfs/dbraw/zinc/39/30/78/569393078.db2.gz	DQBFKWBVPDYKDH-UHFFFAOYSA-N	1	2	425.489	2.456	50	5		IEBALO
CCOC(=O)c1cn(Cc2ccco2)c2cc(N3CC[NH+](C)CC3)c([N+](=O)[O-])cc2c1=O	ZINC000008926436	569487284	/nfs/dbraw/zinc/48/72/84/569487284.db2.gz	XUALICGXEQHBGN-UHFFFAOYSA-N	1	2	440.456	2.480	50	5		IEBALO
C[NH+]1CCN(S(=O)(=O)c2ccc(N3CCO[C@H](c4ccccc4)C3)c([N+](=O)[O-])c2)CC1	ZINC000012644612	523915331	/nfs/dbraw/zinc/91/53/31/523915331.db2.gz	YNPMUHVAOHLWBC-NRFANRHFSA-N	1	2	446.529	2.109	50	5		IEBALO
C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NCC[NH+]3CCOCC3)c([N+](=O)[O-])c2)C1	ZINC000015208356	524887527	/nfs/dbraw/zinc/88/75/27/524887527.db2.gz	MKDGYGAJNXWWIT-HOTGVXAUSA-N	1	2	426.539	2.006	50	5		IEBALO
COc1cc(CCNC(=O)NCc2cccnc2-n2cc[nH+]c2)c([N+](=O)[O-])cc1OC	ZINC000032803412	556374810	/nfs/dbraw/zinc/37/48/10/556374810.db2.gz	OIXDYILYPTUWNH-UHFFFAOYSA-N	1	2	426.433	2.235	50	5		IEBALO
COc1ccc(CCNc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2[N+](=O)[O-])cc1	ZINC000036321433	563092771	/nfs/dbraw/zinc/09/27/71/563092771.db2.gz	UWSQQWPDQDWMGD-UHFFFAOYSA-N	1	2	434.518	2.194	50	5		IEBALO
COC(=O)[C@@H]1[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3OC)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12	ZINC000015987422	568861708	/nfs/dbraw/zinc/86/17/08/568861708.db2.gz	MESZIFLUINCVJA-NMLBUPMWSA-N	1	2	449.419	2.292	50	5		IEBALO
COC(=O)[C@@H]1[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3OC)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12	ZINC000015987422	568861709	/nfs/dbraw/zinc/86/17/09/568861709.db2.gz	MESZIFLUINCVJA-NMLBUPMWSA-N	1	2	449.419	2.292	50	5		IEBALO
Cc1[nH+]c(C(C)C)nc(N2CCN(S(C)(=O)=O)CC2)c1Cc1ccc([N+](=O)[O-])cc1	ZINC000096316931	569393026	/nfs/dbraw/zinc/39/30/26/569393026.db2.gz	MNDINQCHNALVIJ-UHFFFAOYSA-N	1	2	433.534	2.489	50	5		IEBALO