smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc4c(ccc5ccccc54)oc3=O)cc2)n1	ZINC000000702219	551529636	/nfs/dbraw/zinc/52/96/36/551529636.db2.gz	GPKLOAXDUZKRDK-UHFFFAOYSA-N	-1	0	500.536	4.406	50	5		KIBARM
COc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)ccc2Br)cc1	ZINC000000887969	551560726	/nfs/dbraw/zinc/56/07/26/551560726.db2.gz	WQRLUPIIXJNMOX-UHFFFAOYSA-N	-1	0	506.334	4.419	50	5		KIBARM
O=c1/c(=C/c2cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c2)sc2n1[C@@H](c1ccc(Cl)cc1)C1=C(N=2)c2ccccc2CC1	ZINC000001815388	551707379	/nfs/dbraw/zinc/70/73/79/551707379.db2.gz	PTBVCQORAWLJQS-MFUBYVTQSA-N	-1	0	560.975	4.494	50	5		KIBARM
O=c1/c(=C/c2cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c2)sc2n1[C@H](c1ccc(Cl)cc1)C1=C(N=2)c2ccccc2CC1	ZINC000001815390	551707391	/nfs/dbraw/zinc/70/73/91/551707391.db2.gz	PTBVCQORAWLJQS-RWTNITNYSA-N	-1	0	560.975	4.494	50	5		KIBARM
O=C(NC([N-]c1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)(C(F)(F)F)C(F)(F)F)c1ccco1	ZINC000001834587	551712063	/nfs/dbraw/zinc/71/20/63/551712063.db2.gz	HMGRJGLUNUTKOJ-UHFFFAOYSA-N	-1	0	544.411	4.140	50	5		KIBARM
COCCCn1c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(S(=O)(=O)c2ccc(C)cc2)c2nc3ccccc3nc21	ZINC000001839081	551713308	/nfs/dbraw/zinc/71/33/08/551713308.db2.gz	GGOWQAVNGMPFDW-UHFFFAOYSA-N	-1	0	595.659	4.471	50	5		KIBARM
O=C(NC(=S)Nc1cc([N+](=O)[O-])cc(Cl)c1[O-])c1ccc(Cn2cc(Br)cn2)cc1	ZINC000002110578	551767067	/nfs/dbraw/zinc/76/70/67/551767067.db2.gz	YBZONRGROOPZHN-UHFFFAOYSA-N	-1	0	510.757	4.088	50	5		KIBARM
O=C([O-])c1cccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)NC(=O)c2cccc(Br)c2)c1	ZINC000002117265	551769626	/nfs/dbraw/zinc/76/96/26/551769626.db2.gz	GPANMFCINCCRDV-JAIQZWGSSA-N	-1	0	510.300	4.465	50	5		KIBARM
Cc1c(O[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccc(O)cc23)C(=O)[O-])ccc2c3ccccc3c(=O)oc12	ZINC000002134718	551773468	/nfs/dbraw/zinc/77/34/68/551773468.db2.gz	NAZMVBQYJSVGOX-WNSKOXEYSA-N	-1	0	500.507	4.021	50	5	biogenic	KIBARM
Cc1c(O[C@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccc(O)cc23)C(=O)[O-])ccc2c3ccccc3c(=O)oc12	ZINC000002134719	551773471	/nfs/dbraw/zinc/77/34/71/551773471.db2.gz	NAZMVBQYJSVGOX-CMJOXMDJSA-N	-1	0	500.507	4.021	50	5	biogenic	KIBARM
Cc1c(O[C@@H](C)C(=O)N[C@H](Cc2c[nH]c3ccc(O)cc23)C(=O)[O-])ccc2c3ccccc3c(=O)oc12	ZINC000002134721	551773488	/nfs/dbraw/zinc/77/34/88/551773488.db2.gz	NAZMVBQYJSVGOX-NPMXOYFQSA-N	-1	0	500.507	4.021	50	5	biogenic	KIBARM
Cc1c(O[C@H](C)C(=O)N[C@H](Cc2c[nH]c3ccc(O)cc23)C(=O)[O-])ccc2c3ccccc3c(=O)oc12	ZINC000002134722	551773494	/nfs/dbraw/zinc/77/34/94/551773494.db2.gz	NAZMVBQYJSVGOX-IQMFZBJNSA-N	-1	0	500.507	4.021	50	5	biogenic	KIBARM
COc1cc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC	ZINC000002324937	552094891	/nfs/dbraw/zinc/09/48/91/552094891.db2.gz	UKTSXBGQGMWYDJ-UHFFFAOYSA-N	-1	0	511.516	4.108	50	5		KIBARM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc3c(C)cc(=O)oc3c2)ccc1OC	ZINC000002633567	552140575	/nfs/dbraw/zinc/14/05/75/552140575.db2.gz	DZYAPAVMSBCGQJ-UHFFFAOYSA-N	-1	0	539.522	4.080	50	5		KIBARM
COc1ccccc1[N-]S(=O)(=O)c1ccc2oc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3F)nc2c1	ZINC000002652618	552147568	/nfs/dbraw/zinc/14/75/68/552147568.db2.gz	UBZWVECYTCPBJE-UHFFFAOYSA-N	-1	0	532.531	4.415	50	5		KIBARM
CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc4c(ccc5ccccc54)oc3=O)cc2)s1	ZINC000002699327	552159537	/nfs/dbraw/zinc/15/95/37/552159537.db2.gz	PGDUHZAHKSGMRN-UHFFFAOYSA-N	-1	0	506.565	4.413	50	5		KIBARM
Cc1nc2sc3c(c2c(=O)n1[N-]C(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1)CC[C@H](C(C)(C)C)C3	ZINC000002779155	552187967	/nfs/dbraw/zinc/18/79/67/552187967.db2.gz	YKAMZHQVELFHKO-AWEZNQCLSA-N	-1	0	510.576	4.047	50	5		KIBARM
Cc1nc2sc3c(c2c(=O)n1[N-]C(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1)CC[C@@H](C(C)(C)C)C3	ZINC000002779156	552187976	/nfs/dbraw/zinc/18/79/76/552187976.db2.gz	YKAMZHQVELFHKO-CQSZACIVSA-N	-1	0	510.576	4.047	50	5		KIBARM
O=C([O-])c1ccccc1NC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccc(Br)o1	ZINC000002821256	552197172	/nfs/dbraw/zinc/19/71/72/552197172.db2.gz	YNIZYJUJILYEQT-WJDWOHSUSA-N	-1	0	500.261	4.058	50	5		KIBARM
O=C([O-])c1ccc(NC(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)NC(=O)c2ccccc2Br)cc1	ZINC000002955571	552230564	/nfs/dbraw/zinc/23/05/64/552230564.db2.gz	VKZVHHUYWDSWJR-DEDYPNTBSA-N	-1	0	510.300	4.465	50	5		KIBARM
O=C([O-])c1cccc(NC(=O)/C(=C\c2cccc([N+](=O)[O-])c2)NC(=O)c2ccccc2Br)c1	ZINC000002956472	552231056	/nfs/dbraw/zinc/23/10/56/552231056.db2.gz	ASJBRBSHYNOAHG-UDWIEESQSA-N	-1	0	510.300	4.465	50	5		KIBARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(N2C(=O)c3ccc([N+](=O)[O-])c4c([N+](=O)[O-])ccc(c34)C2=O)cc1	ZINC000003044906	552275623	/nfs/dbraw/zinc/27/56/23/552275623.db2.gz	VPRUKWZBTOTOJX-UHFFFAOYSA-N	-1	0	548.489	4.266	50	5		KIBARM
COc1ccc([N+](=O)[O-])cc1Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(NC(C)=O)cc1	ZINC000003206821	552304855	/nfs/dbraw/zinc/30/48/55/552304855.db2.gz	JVFTUWXINBECOM-UHFFFAOYSA-N	-1	0	508.516	4.049	50	5		KIBARM
O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2	ZINC000003225423	552312277	/nfs/dbraw/zinc/31/22/77/552312277.db2.gz	NJESESRAMMAMPI-UHFFFAOYSA-N	-1	0	512.525	4.029	50	5		KIBARM
O=C(COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)s1)Nc1cccc([N+](=O)[O-])c1	ZINC000003228176	552313882	/nfs/dbraw/zinc/31/38/82/552313882.db2.gz	GOMGMYRYQDGGJI-UHFFFAOYSA-N	-1	0	540.373	4.015	50	5		KIBARM
COc1ccccc1[N-]S(=O)(=O)c1ccc2oc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)nc2c1	ZINC000003240003	552318329	/nfs/dbraw/zinc/31/83/29/552318329.db2.gz	XATDRTUFRJNADW-UHFFFAOYSA-N	-1	0	514.541	4.276	50	5		KIBARM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1	ZINC000003244953	552320171	/nfs/dbraw/zinc/32/01/71/552320171.db2.gz	CYCDCBPSVUAPMX-UHFFFAOYSA-N	-1	0	599.361	4.415	50	5		KIBARM
C[C@H](OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)s2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000003310661	552351758	/nfs/dbraw/zinc/35/17/58/552351758.db2.gz	CZHMHFBIZFRAGB-LBPRGKRZSA-N	-1	0	554.400	4.404	50	5		KIBARM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(C(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)ccc1Cl	ZINC000003425084	552384189	/nfs/dbraw/zinc/38/41/89/552384189.db2.gz	VUQAUSCTVNHCAY-CQSZACIVSA-N	-1	0	591.982	4.013	50	5		KIBARM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)ccc1Cl	ZINC000004529171	552463159	/nfs/dbraw/zinc/46/31/59/552463159.db2.gz	VUQAUSCTVNHCAY-AWEZNQCLSA-N	-1	0	591.982	4.013	50	5		KIBARM
C[C@H](OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000004647774	552471054	/nfs/dbraw/zinc/47/10/54/552471054.db2.gz	JJDZJBHGBNDFDJ-LBPRGKRZSA-N	-1	0	509.949	4.295	50	5		KIBARM
C[C@@H](OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000004647776	552471082	/nfs/dbraw/zinc/47/10/82/552471082.db2.gz	JJDZJBHGBNDFDJ-GFCCVEGCSA-N	-1	0	509.949	4.295	50	5		KIBARM
CCCCOC(=O)CNC(=O)c1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000005940308	552513425	/nfs/dbraw/zinc/51/34/25/552513425.db2.gz	WDTLDPTWJULVTH-UHFFFAOYSA-N	-1	0	578.607	4.156	50	5		KIBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1	ZINC000005942153	552514430	/nfs/dbraw/zinc/51/44/30/552514430.db2.gz	OXBVFLPXBKOHMF-UHFFFAOYSA-N	-1	0	568.637	4.257	50	5		KIBARM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(F)c(F)c2F)cc1	ZINC000006260492	552575504	/nfs/dbraw/zinc/57/55/04/552575504.db2.gz	NIYIYWXKHVZLIR-LBPRGKRZSA-N	-1	0	553.471	4.006	50	5		KIBARM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(F)c(F)c2F)cc1	ZINC000006260494	552575433	/nfs/dbraw/zinc/57/54/33/552575433.db2.gz	NIYIYWXKHVZLIR-GFCCVEGCSA-N	-1	0	553.471	4.006	50	5		KIBARM
COc1cc(/C=C(\NC(=O)c2ccccc2)C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c([N+](=O)[O-])cc1OC	ZINC000008400457	553004667	/nfs/dbraw/zinc/00/46/67/553004667.db2.gz	OVBIUAZIQPJAAL-STZFKDTASA-N	-1	0	609.642	4.279	50	5		KIBARM
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c([O-])c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cccs1	ZINC000008443267	553045837	/nfs/dbraw/zinc/04/58/37/553045837.db2.gz	KCYXCVURNCFMTE-DUBROFONSA-N	-1	0	659.483	4.216	50	5		KIBARM
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c([O-])c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cccs1	ZINC000008443269	553045881	/nfs/dbraw/zinc/04/58/81/553045881.db2.gz	KCYXCVURNCFMTE-QUYTYNJFSA-N	-1	0	659.483	4.216	50	5		KIBARM
COc1ccc([C@@H]2CC(c3cccc4ccccc43)=NN2C(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc([N+](=O)[O-])cc4)c(=O)c2=3)cc1	ZINC000008455520	553072816	/nfs/dbraw/zinc/07/28/16/553072816.db2.gz	VZQJNOFEEANDLO-LOAGWBBBSA-N	-1	0	603.595	4.428	50	5		KIBARM
COc1ccc([C@H]2CC(c3cccc4ccccc43)=NN2C(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc([N+](=O)[O-])cc4)c(=O)c2=3)cc1	ZINC000008455521	553072799	/nfs/dbraw/zinc/07/27/99/553072799.db2.gz	VZQJNOFEEANDLO-CCNCKIRNSA-N	-1	0	603.595	4.428	50	5		KIBARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3C(F)(F)F)cc2)no1	ZINC000008618139	553102902	/nfs/dbraw/zinc/10/29/02/553102902.db2.gz	KOZUCVYKABNWGT-UHFFFAOYSA-N	-1	0	536.448	4.149	50	5		KIBARM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c1	ZINC000008685628	553114519	/nfs/dbraw/zinc/11/45/19/553114519.db2.gz	UOKAEZHXFOZPJF-UHFFFAOYSA-N	-1	0	568.637	4.257	50	5	aggregator	KIBARM
CCc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1	ZINC000008686851	553116154	/nfs/dbraw/zinc/11/61/54/553116154.db2.gz	WKZJKQLKIHQPAV-QGZVFWFLSA-N	-1	0	511.556	4.450	50	5		KIBARM
CCc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1	ZINC000008686853	553116147	/nfs/dbraw/zinc/11/61/47/553116147.db2.gz	WKZJKQLKIHQPAV-KRWDZBQOSA-N	-1	0	511.556	4.450	50	5		KIBARM
Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)c([O-])c([N+](=O)[O-])c3)C2=O)cc1C	ZINC000008722421	553130149	/nfs/dbraw/zinc/13/01/49/553130149.db2.gz	VTEVTZJXOJJRHA-LZYBPNLTSA-N	-1	0	506.334	4.355	50	5		KIBARM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1	ZINC000008815629	553151691	/nfs/dbraw/zinc/15/16/91/553151691.db2.gz	USZCHEOJRZZZGI-UHFFFAOYSA-N	-1	0	501.464	4.215	50	5		KIBARM
O=C1[N-]C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCN(c4ccccc4)C[C@H]32)C(=O)N1c1ccc(F)cc1	ZINC000008972152	553195314	/nfs/dbraw/zinc/19/53/14/553195314.db2.gz	UAMPHOPFRLQHBP-WNCULLNHSA-N	-1	0	515.501	4.095	50	5		KIBARM
COc1cc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OC	ZINC000008997047	553197729	/nfs/dbraw/zinc/19/77/29/553197729.db2.gz	FEIAJJXXEUGLOT-UHFFFAOYSA-N	-1	0	511.516	4.108	50	5		KIBARM
COc1ccccc1[N-]S(=O)(=O)c1ccc2oc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nc2c1	ZINC000012311739	553357701	/nfs/dbraw/zinc/35/77/01/553357701.db2.gz	LZXRYRGRVBJFOA-UHFFFAOYSA-N	-1	0	514.541	4.276	50	5		KIBARM
O=C1[N-]C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCc4ccccc4[C@H]32)C(=O)N1c1ccc(Cl)cc1	ZINC000012360047	553359231	/nfs/dbraw/zinc/35/92/31/553359231.db2.gz	OCTWHJYZKKWRBY-NVQXNPDNSA-N	-1	0	502.914	4.178	50	5		KIBARM
CCOC(=O)c1c2c(sc1NC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)CCC2	ZINC000012489350	553379891	/nfs/dbraw/zinc/37/98/91/553379891.db2.gz	FJBYAPSNTIIWSB-UHFFFAOYSA-N	-1	0	515.569	4.375	50	5		KIBARM
O=C(Nc1ccccc1N1CCOCC1)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000012532861	553386956	/nfs/dbraw/zinc/38/69/56/553386956.db2.gz	WZZWONXZSCUBDR-UHFFFAOYSA-N	-1	0	516.963	4.138	50	5		KIBARM
C[C@@H](OC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1C[C@H](C)C[C@@H](C)C1	ZINC000012546624	553391573	/nfs/dbraw/zinc/39/15/73/553391573.db2.gz	BRTMUCBFSAUUOG-BZUAXINKSA-N	-1	0	523.995	4.099	50	5		KIBARM
C[C@@H](OC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1C[C@H](C)C[C@H](C)C1	ZINC000012546626	553391602	/nfs/dbraw/zinc/39/16/02/553391602.db2.gz	BRTMUCBFSAUUOG-OWCLPIDISA-N	-1	0	523.995	4.099	50	5		KIBARM
C[C@@H](OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1)C(=O)NC1CCCCC1	ZINC000012546643	553391608	/nfs/dbraw/zinc/39/16/08/553391608.db2.gz	CMKGPQFYXNAKSB-CQSZACIVSA-N	-1	0	509.968	4.043	50	5		KIBARM
C[C@H](OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1)C(=O)NC1CCCCC1	ZINC000012546644	553391620	/nfs/dbraw/zinc/39/16/20/553391620.db2.gz	CMKGPQFYXNAKSB-AWEZNQCLSA-N	-1	0	509.968	4.043	50	5		KIBARM
COc1ccc([N-]S(=O)(=O)c2cc(Nc3ncccc3[N+](=O)[O-])ccc2OC)cc1Br	ZINC000012549905	553392746	/nfs/dbraw/zinc/39/27/46/553392746.db2.gz	QGOMSVJHHIECBJ-UHFFFAOYSA-N	-1	0	509.338	4.314	50	5		KIBARM
COc1ccc(CCNC(=O)c2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)cc1OC	ZINC000012562789	553395184	/nfs/dbraw/zinc/39/51/84/553395184.db2.gz	ARYSVZVGLHVHRO-UHFFFAOYSA-N	-1	0	519.963	4.039	50	5		KIBARM
COc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(Br)cc2)c([N+](=O)[O-])c1	ZINC000012563047	553395284	/nfs/dbraw/zinc/39/52/84/553395284.db2.gz	QSLPNXKAJYTPFX-UHFFFAOYSA-N	-1	0	506.334	4.419	50	5		KIBARM
C[C@@H](OC(=O)c1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1)C(=O)N(C)C1CCCCC1	ZINC000012565403	553396639	/nfs/dbraw/zinc/39/66/39/553396639.db2.gz	QXBNSZLJMIUJNB-OAHLLOKOSA-N	-1	0	523.995	4.385	50	5		KIBARM
C[C@H](OC(=O)c1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1)C(=O)N(C)C1CCCCC1	ZINC000012565405	553396602	/nfs/dbraw/zinc/39/66/02/553396602.db2.gz	QXBNSZLJMIUJNB-HNNXBMFYSA-N	-1	0	523.995	4.385	50	5		KIBARM
O=[N+]([O-])c1cc(OS(=O)(=O)c2ccccc2F)c([N-]S(=O)(=O)c2ccccc2F)cc1Cl	ZINC000012612191	553402434	/nfs/dbraw/zinc/40/24/34/553402434.db2.gz	WBZASXZEFOHFKS-UHFFFAOYSA-N	-1	0	504.876	4.095	50	5		KIBARM
COc1cc([N-]S(=O)(=O)c2ccc(Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)cc2)nc(OC)n1	ZINC000013081292	553445201	/nfs/dbraw/zinc/44/52/01/553445201.db2.gz	ONWCFMKZXGFMGP-UHFFFAOYSA-N	-1	0	514.545	4.070	50	5		KIBARM
O=C([O-])c1ccc(NC(=O)/C(=C\c2cccc([N+](=O)[O-])c2)NC(=O)c2ccc(Br)o2)cc1	ZINC000013130268	553451233	/nfs/dbraw/zinc/45/12/33/553451233.db2.gz	GDLXSXGAMVWHAZ-LFIBNONCSA-N	-1	0	500.261	4.058	50	5		KIBARM
Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)O[C@H](C)C(=O)NC2CCCCC2)c1	ZINC000013133882	553451838	/nfs/dbraw/zinc/45/18/38/553451838.db2.gz	JVXUJZXOPSCGIF-QGZVFWFLSA-N	-1	0	503.577	4.007	50	5		KIBARM
Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)O[C@@H](C)C(=O)NC2CCCCC2)c1	ZINC000013133883	553451859	/nfs/dbraw/zinc/45/18/59/553451859.db2.gz	JVXUJZXOPSCGIF-KRWDZBQOSA-N	-1	0	503.577	4.007	50	5		KIBARM
C[C@@H](OC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000013134710	553452491	/nfs/dbraw/zinc/45/24/91/553452491.db2.gz	HHUSZBZUVSHMMC-GFCCVEGCSA-N	-1	0	509.949	4.295	50	5		KIBARM
C[C@H](OC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000013134711	553452489	/nfs/dbraw/zinc/45/24/89/553452489.db2.gz	HHUSZBZUVSHMMC-LBPRGKRZSA-N	-1	0	509.949	4.295	50	5		KIBARM
Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000013148185	553455774	/nfs/dbraw/zinc/45/57/74/553455774.db2.gz	CXCJERQGYYXNDE-OAHLLOKOSA-N	-1	0	501.492	4.027	50	5		KIBARM
Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000013148186	553455784	/nfs/dbraw/zinc/45/57/84/553455784.db2.gz	CXCJERQGYYXNDE-HNNXBMFYSA-N	-1	0	501.492	4.027	50	5		KIBARM
O=C([O-])c1ccc(NC(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)NC(=O)c2ccc(Br)cc2)cc1	ZINC000013520749	561717033	/nfs/dbraw/zinc/71/70/33/561717033.db2.gz	MEZJKTNGSGYEKS-DEDYPNTBSA-N	-1	0	510.300	4.465	50	5		KIBARM
COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1Cl	ZINC000014360565	553514089	/nfs/dbraw/zinc/51/40/89/553514089.db2.gz	GRQZTFLWFXCFNI-UHFFFAOYSA-N	-1	0	503.920	4.269	50	5		KIBARM
C[C@@H](OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000014361036	553514308	/nfs/dbraw/zinc/51/43/08/553514308.db2.gz	NCXYTCCQRGOPME-GFCCVEGCSA-N	-1	0	509.949	4.295	50	5		KIBARM
C[C@H](OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000014361038	553514310	/nfs/dbraw/zinc/51/43/10/553514310.db2.gz	NCXYTCCQRGOPME-LBPRGKRZSA-N	-1	0	509.949	4.295	50	5		KIBARM
COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CC(=O)c3ccc([N+](=O)[O-])cc3)ccc2Cl)cc1	ZINC000014361128	553514282	/nfs/dbraw/zinc/51/42/82/553514282.db2.gz	GGKSOHWRWKEYJM-UHFFFAOYSA-N	-1	0	503.920	4.269	50	5		KIBARM
O=C([O-])[C@H](CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21	ZINC000015722232	553534891	/nfs/dbraw/zinc/53/48/91/553534891.db2.gz	HBHWAVNNODKLBE-QFIPXVFZSA-N	-1	0	506.471	4.297	50	5		KIBARM
O=C([O-])c1cccc(NC(=O)/C(=C\c2cccc([N+](=O)[O-])c2)NC(=O)c2ccc(Br)cc2)c1	ZINC000015746651	553536022	/nfs/dbraw/zinc/53/60/22/553536022.db2.gz	WYJPNNKJALLPIE-UDWIEESQSA-N	-1	0	510.300	4.465	50	5		KIBARM
O=C([O-])c1cccc(NC(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)NC(=O)c2ccc(Br)cc2)c1	ZINC000015768464	553536061	/nfs/dbraw/zinc/53/60/61/553536061.db2.gz	BMRFLQJGTSGPNQ-UDWIEESQSA-N	-1	0	510.300	4.465	50	5		KIBARM
Cc1ccc([O-])c(C(=O)c2cc(C(=O)Nc3ccccc3[N+](=O)[O-])c(=O)n(-c3ccccc3[N+](=O)[O-])c2)c1	ZINC000015910839	553540900	/nfs/dbraw/zinc/54/09/00/553540900.db2.gz	OUJWJSCWULOMEP-UHFFFAOYSA-N	-1	0	514.450	4.151	50	5		KIBARM
Cc1ccc([O-])c(C(=O)c2cc(C(=O)Nc3ccc([N+](=O)[O-])cc3)c(=O)n(-c3ccc([N+](=O)[O-])cc3)c2)c1	ZINC000015911514	553541216	/nfs/dbraw/zinc/54/12/16/553541216.db2.gz	PDIHOAAAFREMDA-UHFFFAOYSA-N	-1	0	514.450	4.151	50	5		KIBARM
COc1ccccc1[N-]S(=O)(=O)c1ccc2oc(SCC(=O)Nc3ccccc3[N+](=O)[O-])nc2c1	ZINC000015911747	553541483	/nfs/dbraw/zinc/54/14/83/553541483.db2.gz	KKJWUEDPGHFDSA-UHFFFAOYSA-N	-1	0	514.541	4.276	50	5		KIBARM
O=C1[N-]C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCN(c4ccccc4)C[C@@H]32)C(=O)N1c1ccc(F)cc1	ZINC000017027884	553586787	/nfs/dbraw/zinc/58/67/87/553586787.db2.gz	UAMPHOPFRLQHBP-YIXXDRMTSA-N	-1	0	515.501	4.095	50	5		KIBARM
O=C1[N-]C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCN(c4ccccc4)C[C@@H]32)C(=O)N1c1ccc(F)cc1	ZINC000017027885	553586933	/nfs/dbraw/zinc/58/69/33/553586933.db2.gz	UAMPHOPFRLQHBP-KCWPFWIISA-N	-1	0	515.501	4.095	50	5		KIBARM
COc1ccc(NS(=O)(=O)c2ccc(-n3cc(C(=O)c4cc(Cl)ccc4[O-])cn3)c([N+](=O)[O-])c2)cc1	ZINC000017576644	553598263	/nfs/dbraw/zinc/59/82/63/553598263.db2.gz	MDVQAMMRMRWHPC-UHFFFAOYSA-N	-1	0	528.930	4.180	50	5		KIBARM
C[C@@H]1CCc2cc(F)ccc2N1S(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000020572302	553674518	/nfs/dbraw/zinc/67/45/18/553674518.db2.gz	VYUJDJRVPIDOFU-OAHLLOKOSA-N	-1	0	505.549	4.065	50	5		KIBARM
C[C@H]1CCc2cc(F)ccc2N1S(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000020572304	553674561	/nfs/dbraw/zinc/67/45/61/553674561.db2.gz	VYUJDJRVPIDOFU-HNNXBMFYSA-N	-1	0	505.549	4.065	50	5		KIBARM
Cc1c(C(c2c(C)n(C)n(-c3ccccc3)c2=O)c2ccc([O-])c([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C	ZINC000020808130	553698870	/nfs/dbraw/zinc/69/88/70/553698870.db2.gz	UFMCMCBNOLOZOU-UHFFFAOYSA-N	-1	0	525.565	4.076	50	5		KIBARM
O=C([O-])c1cccc(NC(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)NC(=O)c2ccccc2Br)c1	ZINC000022184718	1064274131	/nfs/dbraw/zinc/27/41/31/1064274131.db2.gz	XAVQYOYWMRKUAD-UDWIEESQSA-N	-1	0	510.300	4.465	50	5		KIBARM
O=C([O-])c1cccc(NC(=O)/C(=C\c2cccc([N+](=O)[O-])c2)NC(=O)c2ccc(Br)o2)c1	ZINC000022184867	553727406	/nfs/dbraw/zinc/72/74/06/553727406.db2.gz	WDLFDKGOLPEZQG-MHWRWJLKSA-N	-1	0	500.261	4.058	50	5		KIBARM
COc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc([N+](=O)[O-])cc3)ccc2Br)cc1	ZINC000022258041	553733694	/nfs/dbraw/zinc/73/36/94/553733694.db2.gz	SMBGPPWDBYYBMH-UHFFFAOYSA-N	-1	0	506.334	4.419	50	5		KIBARM
COc1cc(-c2nc3ccccc3c(=O)n2[N-]C(=O)c2ccc([N+](=O)[O-])cc2Cl)cc(OC)c1OC	ZINC000027527490	553830240	/nfs/dbraw/zinc/83/02/40/553830240.db2.gz	GHRHKXLHPXUQNF-UHFFFAOYSA-N	-1	0	510.890	4.035	50	5		KIBARM
COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1	ZINC000033682860	553967780	/nfs/dbraw/zinc/96/77/80/553967780.db2.gz	WNVJUELXZXXABB-UHFFFAOYSA-N	-1	0	506.334	4.419	50	5		KIBARM
O=C(N[C@@H]1CCCC[C@@H]1Cc1ccco1)[C@H](Cc1ccc([O-])c([N+](=O)[O-])c1)N1C(=O)c2ccccc2C1=O	ZINC000034840154	554021086	/nfs/dbraw/zinc/02/10/86/554021086.db2.gz	KHPQFBFIBZRUKQ-XANCMCCPSA-N	-1	0	517.538	4.018	50	5		KIBARM
O=C(N[C@H]1CCCC[C@@H]1Cc1ccco1)[C@H](Cc1ccc([O-])c([N+](=O)[O-])c1)N1C(=O)c2ccccc2C1=O	ZINC000034840163	554020997	/nfs/dbraw/zinc/02/09/97/554020997.db2.gz	KHPQFBFIBZRUKQ-OUOWLKGYSA-N	-1	0	517.538	4.018	50	5		KIBARM
CCOc1cc(C2C(C(=O)OC)=CN(Cc3ccc(Cl)cc3)C=C2C(=O)OC)cc([N+](=O)[O-])c1[O-]	ZINC000035877083	554087651	/nfs/dbraw/zinc/08/76/51/554087651.db2.gz	LLYOJFKAGFQZHV-UHFFFAOYSA-N	-1	0	502.907	4.066	50	5		KIBARM
CCOC(=O)C1=CN(Cc2ccc(F)cc2)C=C(C(=O)OCC)C1c1cc(OCC)c([O-])c([N+](=O)[O-])c1	ZINC000035877217	554087832	/nfs/dbraw/zinc/08/78/32/554087832.db2.gz	HJIHIGASANNGBO-UHFFFAOYSA-N	-1	0	514.506	4.332	50	5		KIBARM
Cc1c(C(c2c(C)n(C)n(-c3ccccc3)c2=O)c2cc([N+](=O)[O-])ccc2[O-])c(=O)n(-c2ccccc2)n1C	ZINC000036026163	554140713	/nfs/dbraw/zinc/14/07/13/554140713.db2.gz	JUUAEULATYUHMZ-UHFFFAOYSA-N	-1	0	525.565	4.076	50	5		KIBARM
Cc1c(C(c2c(C)n(C)n(-c3ccccc3)c2=O)c2cccc([N+](=O)[O-])c2[O-])c(=O)n(-c2ccccc2)n1C	ZINC000036059972	554160384	/nfs/dbraw/zinc/16/03/84/554160384.db2.gz	NOPZQCPXWHJBOH-UHFFFAOYSA-N	-1	0	525.565	4.076	50	5		KIBARM
O=C(N[C@@H]1CCCC[C@H]1Cc1ccco1)[C@H](Cc1ccc([O-])c([N+](=O)[O-])c1)N1C(=O)c2ccccc2C1=O	ZINC000036277643	554211392	/nfs/dbraw/zinc/21/13/92/554211392.db2.gz	KHPQFBFIBZRUKQ-ANJVHQHFSA-N	-1	0	517.538	4.018	50	5		KIBARM
O=C(N[C@H]1CCCC[C@H]1Cc1ccco1)[C@H](Cc1ccc([O-])c([N+](=O)[O-])c1)N1C(=O)c2ccccc2C1=O	ZINC000036277646	554211505	/nfs/dbraw/zinc/21/15/05/554211505.db2.gz	KHPQFBFIBZRUKQ-OEOAZWSVSA-N	-1	0	517.538	4.018	50	5		KIBARM
COc1ccc(CN(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)c(OC)c1OC	ZINC000038139583	554260870	/nfs/dbraw/zinc/26/08/70/554260870.db2.gz	ZMCKNGVVNCLQFC-UHFFFAOYSA-N	-1	0	529.571	4.002	50	5		KIBARM
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)cc(I)c1OCc1ccccc1Cl	ZINC000059603598	554410235	/nfs/dbraw/zinc/41/02/35/554410235.db2.gz	SFNVSELWJAPMPT-SREVYHEPSA-N	-1	0	555.712	4.400	50	5		KIBARM
O=C([O-])c1ccc2c(c1)C(=O)N(CCNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1C(F)(F)F)C2=O	ZINC000059603642	554410164	/nfs/dbraw/zinc/41/01/64/554410164.db2.gz	XHJWCLBPYITXOV-UHFFFAOYSA-N	-1	0	542.426	4.272	50	5		KIBARM
O=C([O-])c1ccc2c(c1)C(=O)N(CCNc1ccc(C(=O)Nc3ccccc3C(F)(F)F)cc1[N+](=O)[O-])C2=O	ZINC000059608239	554410794	/nfs/dbraw/zinc/41/07/94/554410794.db2.gz	DYILBCKAAQOFFX-UHFFFAOYSA-N	-1	0	542.426	4.272	50	5		KIBARM
COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc(Br)c1OC(=O)C12CC3CC(CC(C3)C1)C2	ZINC000059616997	554413299	/nfs/dbraw/zinc/41/32/99/554413299.db2.gz	ATRZIXSSIDTOHJ-NSCUHMNNSA-N	-1	0	546.374	4.035	50	5		KIBARM
Cc1ccc(Cl)cc1NC(=O)c1ccc(NCCN2C(=O)c3ccc(C(=O)[O-])cc3C2=O)c([N+](=O)[O-])c1	ZINC000059620603	554413913	/nfs/dbraw/zinc/41/39/13/554413913.db2.gz	ZMEAHBJZYIMBSM-UHFFFAOYSA-N	-1	0	522.901	4.215	50	5		KIBARM
COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc(I)c1OCc1ccc(C)cc1	ZINC000059772048	554428656	/nfs/dbraw/zinc/42/86/56/554428656.db2.gz	RLEMYTIVTBOOAX-BQYQJAHWSA-N	-1	0	535.294	4.055	50	5		KIBARM
O=C([O-])c1cccc(NC(=O)/C(=C\c2cccc([N+](=O)[O-])c2)NC(=O)c2cccc(Br)c2)c1	ZINC000097437105	553758615	/nfs/dbraw/zinc/75/86/15/553758615.db2.gz	GPANMFCINCCRDV-RGVLZGJSSA-N	-1	0	510.300	4.465	50	5		KIBARM
CCOC(=O)C1=CN(Cc2ccc(OC)c(OC)c2)C=C(C(=O)OCC)C1c1cc(OCC)c([O-])c([N+](=O)[O-])c1	ZINC000097939776	553761265	/nfs/dbraw/zinc/76/12/65/553761265.db2.gz	XXNFKSLZKPHBNE-UHFFFAOYSA-N	-1	0	556.568	4.210	50	5		KIBARM
CCOC(=O)[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)[C@@H]2C1	ZINC000097956268	553837341	/nfs/dbraw/zinc/83/73/41/553837341.db2.gz	ITSVQLVGGODNFB-PMFKIEPISA-N	-1	0	526.933	4.062	50	5		KIBARM
C[C@@H]1CN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)[C@@H]2[C@H](C)O1	ZINC000097956625	553840468	/nfs/dbraw/zinc/84/04/68/553840468.db2.gz	UKAOQJRIRRTVIA-LERLXCPZSA-N	-1	0	529.347	4.005	50	5		KIBARM
COc1ccc(NC(=O)CC(=O)c2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)[N-]c1ccc(Br)cc1	ZINC000097982677	554004741	/nfs/dbraw/zinc/00/47/41/554004741.db2.gz	KSAWBWRTPNEWSI-UHFFFAOYSA-N	-1	0	548.371	4.378	50	5		KIBARM
O=C([O-])[C@H](Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000100080194	554206440	/nfs/dbraw/zinc/20/64/40/554206440.db2.gz	XLKWITSYWZVKMC-KRWDZBQOSA-N	-1	0	513.375	4.220	50	5		KIBARM
O=C([O-])[C@@H](Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000100080199	554206455	/nfs/dbraw/zinc/20/64/55/554206455.db2.gz	XLKWITSYWZVKMC-QGZVFWFLSA-N	-1	0	513.375	4.220	50	5		KIBARM
Cc1ccc(S(=O)(=O)N2C/C(=C\c3cc([N+](=O)[O-])ccc3[O-])c3c2cc([N+](=O)[O-])cc3[N+](=O)[O-])cc1	ZINC000100157760	554233130	/nfs/dbraw/zinc/23/31/30/554233130.db2.gz	BHDYQDFZUZUFGR-OVCLIPMQSA-N	-1	0	512.456	4.175	50	5		KIBARM
O=C([O-])[C@H](Cc1cn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cn1)NC(=O)OCC1c2ccccc2-c2ccccc21	ZINC000100449596	554395328	/nfs/dbraw/zinc/39/53/28/554395328.db2.gz	SADTWOVRWZDGHL-QHCPKHFHSA-N	-1	0	543.492	4.223	50	5		KIBARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1	ZINC000100548263	554414429	/nfs/dbraw/zinc/41/44/29/554414429.db2.gz	RRRZGRPHJZRUET-JWGURIENSA-N	-1	0	549.590	4.262	50	5		KIBARM
O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)C(=O)C(=C([O-])c1ccccc1F)[C@@H]1OC(=O)c2ccccc21	ZINC000100721357	554455394	/nfs/dbraw/zinc/45/53/94/554455394.db2.gz	WVZLFXMXNBWPRY-DENIHFKCSA-N	-1	0	519.466	4.262	50	5		KIBARM
O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)C(=O)C(=C([O-])c1ccccc1F)[C@@H]1OC(=O)c2ccccc21	ZINC000100721359	554455367	/nfs/dbraw/zinc/45/53/67/554455367.db2.gz	WVZLFXMXNBWPRY-SIKLNZKXSA-N	-1	0	519.466	4.262	50	5		KIBARM
O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)C(=O)C(=C([O-])c1ccccc1F)[C@H]1OC(=O)c2ccccc21	ZINC000100721362	554455462	/nfs/dbraw/zinc/45/54/62/554455462.db2.gz	WVZLFXMXNBWPRY-KNQAVFIVSA-N	-1	0	519.466	4.262	50	5		KIBARM
O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)C(=O)C(=C([O-])c1ccccc1F)[C@H]1OC(=O)c2ccccc21	ZINC000100721366	554455474	/nfs/dbraw/zinc/45/54/74/554455474.db2.gz	WVZLFXMXNBWPRY-UGKGYDQZSA-N	-1	0	519.466	4.262	50	5		KIBARM
Cc1cc([N+](=O)[O-])ccc1-n1c(O)c2n(-c3ccccc3)[n-]c(-c3ccc(Br)cc3)c-2c1=O	ZINC000100851231	554492716	/nfs/dbraw/zinc/49/27/16/554492716.db2.gz	GPEIUVFPXJHHIO-IRLDBZIGSA-N	-1	0	505.328	4.448	50	5		KIBARM
COCCn1c2ccc([N+](=O)[O-])cc2s/c1=N\C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000100872711	554501639	/nfs/dbraw/zinc/50/16/39/554501639.db2.gz	RFAQXKQFZPALEI-IZHYLOQSSA-N	-1	0	526.596	4.108	50	5		KIBARM
O=c1/c(=C\c2cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c2)sc2n1[C@H](c1ccc(Cl)cc1)C1=C(N=2)c2ccccc2CC1	ZINC000100958363	554541384	/nfs/dbraw/zinc/54/13/84/554541384.db2.gz	PTBVCQORAWLJQS-LYRGBEMXSA-N	-1	0	560.975	4.494	50	5		KIBARM
O=c1/c(=C\c2cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c2)sc2n1[C@@H](c1ccc(Cl)cc1)C1=C(N=2)c2ccccc2CC1	ZINC000100958364	554541397	/nfs/dbraw/zinc/54/13/97/554541397.db2.gz	PTBVCQORAWLJQS-JGTYQCAFSA-N	-1	0	560.975	4.494	50	5		KIBARM
O=C(c1cc(Br)cc(Br)c1[O-])N1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1	ZINC000101055520	554569489	/nfs/dbraw/zinc/56/94/89/554569489.db2.gz	ALFLFEDOMIGLBO-UHFFFAOYSA-N	-1	0	536.180	4.336	50	5		KIBARM
Cc1cc([N+](=O)[O-])ccc1-n1c(O)c2n(-c3ccccc3)[n-]c(-c3ccc(Br)cc3)c-2c1=O	ZINC000101070639	554574986	/nfs/dbraw/zinc/57/49/86/554574986.db2.gz	GPEIUVFPXJHHIO-RBBKRZOGSA-N	-1	0	505.328	4.448	50	5		KIBARM
Cc1cc([N+](=O)[O-])ccc1-n1c(O)c2n(-c3ccccc3)[n-]c(-c3ccc(Br)cc3)c-2c1=O	ZINC000101070640	554575014	/nfs/dbraw/zinc/57/50/14/554575014.db2.gz	GPEIUVFPXJHHIO-IFMALSPDSA-N	-1	0	505.328	4.448	50	5		KIBARM
Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Oc2cc(O)c3c(c2)oc2ccccc2c3=O)cc1	ZINC000101373835	554745506	/nfs/dbraw/zinc/74/55/06/554745506.db2.gz	PBHXXBYLZCKCJE-HSZRJFAPSA-N	-1	0	529.570	4.455	50	5		KIBARM
CCOc1cc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCC(=O)[O-]	ZINC000101633653	554812173	/nfs/dbraw/zinc/81/21/73/554812173.db2.gz	XCNPYPPSYSQUMO-MFOYZWKCSA-N	-1	0	537.344	4.456	50	5		KIBARM
O=C(COC(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccc(Br)cc1	ZINC000102230101	554899987	/nfs/dbraw/zinc/89/99/87/554899987.db2.gz	MRGSMIKUHBAQFR-UHFFFAOYSA-N	-1	0	519.329	4.198	50	5		KIBARM
COc1ccc([O-])c(C(=O)c2cnn(-c3ccc(S(=O)(=O)Nc4cccc(Cl)c4)cc3[N+](=O)[O-])c2)c1	ZINC000102248377	554903723	/nfs/dbraw/zinc/90/37/23/554903723.db2.gz	RPWNMTBEICMRQL-UHFFFAOYSA-N	-1	0	528.930	4.180	50	5		KIBARM
COc1cc(NC(=O)COC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(Br)cc2)c(C)cc1[N+](=O)[O-]	ZINC000102282706	554907269	/nfs/dbraw/zinc/90/72/69/554907269.db2.gz	XVIYTQJUONNYPE-UHFFFAOYSA-N	-1	0	578.397	4.271	50	5		KIBARM
COc1ccc(-n2[n-]c(Cc3ccc(F)cc3)c(C=C3NC(=O)N(Cc4cccc([N+](=O)[O-])c4)C3=O)c2=O)cc1	ZINC000102412114	554923795	/nfs/dbraw/zinc/92/37/95/554923795.db2.gz	XVTCCUNBULAWCK-MYYYXRDXSA-N	-1	0	543.511	4.318	50	5		KIBARM
COc1ccc(-n2[n-]c(Cc3ccc(F)cc3)c(C=C3NC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)c2=O)cc1	ZINC000102412159	554923805	/nfs/dbraw/zinc/92/38/05/554923805.db2.gz	XTPTXQODSXRXSV-MYYYXRDXSA-N	-1	0	543.511	4.318	50	5		KIBARM
CCOC(=O)[C@@](O)(c1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C(F)(F)F	ZINC000102414105	554924427	/nfs/dbraw/zinc/92/44/27/554924427.db2.gz	ONZDELYGNQCEJM-DEOSSOPVSA-N	-1	0	591.524	4.395	50	5		KIBARM
CCOC(=O)[C@](O)(c1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C(F)(F)F	ZINC000102414110	554924450	/nfs/dbraw/zinc/92/44/50/554924450.db2.gz	ONZDELYGNQCEJM-XMMPIXPASA-N	-1	0	591.524	4.395	50	5		KIBARM
CCOc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)cc(I)c1OCc1ccccc1	ZINC000102560407	554967529	/nfs/dbraw/zinc/96/75/29/554967529.db2.gz	YDXZDXDERPJIQF-CMDGGOBGSA-N	-1	0	535.294	4.136	50	5		KIBARM
COc1ccc([C@@H]2CC(c3cccc4ccccc43)=NN2C(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc([N+](=O)[O-])cc4)c(=O)c2=3)cc1	ZINC000102675823	555004159	/nfs/dbraw/zinc/00/41/59/555004159.db2.gz	VZQJNOFEEANDLO-BKHJTQGXSA-N	-1	0	603.595	4.428	50	5		KIBARM
COc1ccc([C@H]2CC(c3cccc4ccccc43)=NN2C(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc([N+](=O)[O-])cc4)c(=O)c2=3)cc1	ZINC000102675825	555004063	/nfs/dbraw/zinc/00/40/63/555004063.db2.gz	VZQJNOFEEANDLO-GGCFSWKVSA-N	-1	0	603.595	4.428	50	5		KIBARM
COc1cc([C@@H]2c3c(O)n(-c4ccc(C)cc4C)c(O)c3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000102767843	555055841	/nfs/dbraw/zinc/05/58/41/555055841.db2.gz	RJBSDGADCGPIIN-UBFVSLLYSA-N	-1	0	503.511	4.280	50	5		KIBARM
CN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)[C@H]1c1ccccc1	ZINC000102770299	555057701	/nfs/dbraw/zinc/05/77/01/555057701.db2.gz	OWZAHLFMWUAULW-PXDATVDWSA-N	-1	0	535.354	4.360	50	5		KIBARM
CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(=O)c3c([O-])c(Cl)cc(Cl)c3Cl)CC2)c([N+](=O)[O-])c1	ZINC000102799210	555072420	/nfs/dbraw/zinc/07/24/20/555072420.db2.gz	RLOATKXDWGYJRO-UHFFFAOYSA-N	-1	0	565.863	4.254	50	5		KIBARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Br)cc3)c(=O)c1=2)N1N=C(c2ccccc2)C[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000102831157	555078905	/nfs/dbraw/zinc/07/89/05/555078905.db2.gz	MBMNHMNTGOJCPM-GPXOXTDOSA-N	-1	0	602.405	4.028	50	5		KIBARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Br)cc3)c(=O)c1=2)N1N=C(c2ccccc2)C[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000102831161	555078913	/nfs/dbraw/zinc/07/89/13/555078913.db2.gz	MBMNHMNTGOJCPM-QLBJFCOMSA-N	-1	0	602.405	4.028	50	5		KIBARM
COc1ccc([C@@H]2CC(c3cccc4ccccc43)=NN2C(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc([N+](=O)[O-])cc4)c(=O)c2=3)cc1	ZINC000102831375	555079086	/nfs/dbraw/zinc/07/90/86/555079086.db2.gz	VZQJNOFEEANDLO-GNSPLJBXSA-N	-1	0	603.595	4.428	50	5		KIBARM
NS(=O)(=O)c1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(OCc2ccccc2)cc1	ZINC000102869279	555098618	/nfs/dbraw/zinc/09/86/18/555098618.db2.gz	VTPLVXIBQGZMHM-UHFFFAOYSA-N	-1	0	600.587	4.323	50	5		KIBARM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)OCC(=O)Nc2cccc(Br)c2)cc1[N+](=O)[O-]	ZINC000102928019	555152923	/nfs/dbraw/zinc/15/29/23/555152923.db2.gz	KBHSBFHVDZWEDY-UHFFFAOYSA-N	-1	0	548.371	4.262	50	5		KIBARM
C[C@@H](OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)s2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000102975456	555185616	/nfs/dbraw/zinc/18/56/16/555185616.db2.gz	CZHMHFBIZFRAGB-GFCCVEGCSA-N	-1	0	554.400	4.404	50	5		KIBARM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)O[C@@H](C)C(=O)NCCc2ccc(F)cc2)c1	ZINC000102975647	555185928	/nfs/dbraw/zinc/18/59/28/555185928.db2.gz	AJXFLQWZVWGNDD-HNNXBMFYSA-N	-1	0	579.990	4.101	50	5		KIBARM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)O[C@H](C)C(=O)NCCc2ccc(F)cc2)c1	ZINC000102975648	555186062	/nfs/dbraw/zinc/18/60/62/555186062.db2.gz	AJXFLQWZVWGNDD-OAHLLOKOSA-N	-1	0	579.990	4.101	50	5		KIBARM
O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc(C(=O)c2cc(Cl)ccc2[O-])cn(-c2ccc([N+](=O)[O-])cc2)c1=O	ZINC000102988302	555191585	/nfs/dbraw/zinc/19/15/85/555191585.db2.gz	MXBNNRTUKVLSSO-UHFFFAOYSA-N	-1	0	534.868	4.496	50	5		KIBARM
COc1cc(OC)c([N-]S(=O)(=O)c2cc(C(=O)O[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)ccc2OC)cc1Cl	ZINC000102997428	555196699	/nfs/dbraw/zinc/19/66/99/555196699.db2.gz	MEQQEAXNQKWDEX-AWEZNQCLSA-N	-1	0	624.024	4.267	50	5		KIBARM
COc1cc(OC)c([N-]S(=O)(=O)c2cc(C(=O)O[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)ccc2OC)cc1Cl	ZINC000102997431	555196708	/nfs/dbraw/zinc/19/67/08/555196708.db2.gz	MEQQEAXNQKWDEX-CQSZACIVSA-N	-1	0	624.024	4.267	50	5		KIBARM
O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000103000657	555200506	/nfs/dbraw/zinc/20/05/06/555200506.db2.gz	LMZJKPHFWDHOPN-UHFFFAOYSA-N	-1	0	565.029	4.086	50	5		KIBARM
O=C(Nc1cccc(S(=O)(=O)NCc2ccco2)c1)c1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000103000985	555200975	/nfs/dbraw/zinc/20/09/75/555200975.db2.gz	RDMKJQJLJCFVBW-UHFFFAOYSA-N	-1	0	591.023	4.373	50	5		KIBARM
O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1	ZINC000103006619	555204096	/nfs/dbraw/zinc/20/40/96/555204096.db2.gz	BXCIWANICRGFDX-UHFFFAOYSA-N	-1	0	571.464	4.213	50	5		KIBARM
COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)ccc1C	ZINC000103012629	555207469	/nfs/dbraw/zinc/20/74/69/555207469.db2.gz	PUOZUDSEVOVKPZ-UHFFFAOYSA-N	-1	0	554.610	4.245	50	5		KIBARM
CC[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)N2CCCC2)nn1-c1ccc(F)cc1	ZINC000103047964	555229449	/nfs/dbraw/zinc/22/94/49/555229449.db2.gz	YSIWNVBBXJYGJD-MRXNPFEDSA-N	-1	0	545.593	4.333	50	5		KIBARM
CC[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)N2CCCC2)nn1-c1ccc(F)cc1	ZINC000103047967	555229498	/nfs/dbraw/zinc/22/94/98/555229498.db2.gz	YSIWNVBBXJYGJD-INIZCTEOSA-N	-1	0	545.593	4.333	50	5		KIBARM
COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1	ZINC000103084537	555263267	/nfs/dbraw/zinc/26/32/67/555263267.db2.gz	NFQYNNRGHYTKAL-AWEZNQCLSA-N	-1	0	533.946	4.242	50	5		KIBARM
COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1	ZINC000103084539	555263240	/nfs/dbraw/zinc/26/32/40/555263240.db2.gz	NFQYNNRGHYTKAL-CQSZACIVSA-N	-1	0	533.946	4.242	50	5		KIBARM
C[C@H](OC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F	ZINC000103093155	555272177	/nfs/dbraw/zinc/27/21/77/555272177.db2.gz	CNCLCHHJVXUODY-AWEZNQCLSA-N	-1	0	595.508	4.370	50	5		KIBARM
C[C@@H](OC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F	ZINC000103093158	555272096	/nfs/dbraw/zinc/27/20/96/555272096.db2.gz	CNCLCHHJVXUODY-CQSZACIVSA-N	-1	0	595.508	4.370	50	5		KIBARM
CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1	ZINC000103102274	555279696	/nfs/dbraw/zinc/27/96/96/555279696.db2.gz	OBBSVFFQYUMGHZ-UHFFFAOYSA-N	-1	0	578.397	4.352	50	5		KIBARM
CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)OCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])cc1	ZINC000103102295	555279659	/nfs/dbraw/zinc/27/96/59/555279659.db2.gz	WFHPQVSAXOHOIW-UHFFFAOYSA-N	-1	0	533.946	4.243	50	5		KIBARM
COc1cc(NC(=O)COC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(Cl)cc2)c(C)cc1[N+](=O)[O-]	ZINC000103113488	555286575	/nfs/dbraw/zinc/28/65/75/555286575.db2.gz	ASKXLOMYKFKRFH-UHFFFAOYSA-N	-1	0	533.946	4.162	50	5		KIBARM
O=C(COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1)Nc1cc(Cl)ccc1[N+](=O)[O-]	ZINC000103113503	555286631	/nfs/dbraw/zinc/28/66/31/555286631.db2.gz	FEFPGKQDJBQWLU-UHFFFAOYSA-N	-1	0	524.338	4.498	50	5		KIBARM
COC(=O)c1cccc(CN2C(=O)NC(=Cc3c(=O)n(-c4ccc([N+](=O)[O-])cc4)[n-]c3-c3ccccc3)C2=O)c1	ZINC000103142251	555311523	/nfs/dbraw/zinc/31/15/23/555311523.db2.gz	VWWJWOOJOWVWML-HAHDFKILSA-N	-1	0	539.504	4.033	50	5		KIBARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc([N+](=O)[O-])cc3)c(=O)c1=2)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccccc1	ZINC000103152277	555318381	/nfs/dbraw/zinc/31/83/81/555318381.db2.gz	FVMDOKZVFGOTOU-ICDZXHCJSA-N	-1	0	602.405	4.028	50	5		KIBARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc([N+](=O)[O-])cc3)c(=O)c1=2)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccccc1	ZINC000103152279	555318352	/nfs/dbraw/zinc/31/83/52/555318352.db2.gz	FVMDOKZVFGOTOU-QLBJFCOMSA-N	-1	0	602.405	4.028	50	5		KIBARM
COc1cc(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c([N+](=O)[O-])cc1OC	ZINC000103932387	571370115	/nfs/dbraw/zinc/37/01/15/571370115.db2.gz	OVBIUAZIQPJAAL-KGENOOAVSA-N	-1	0	609.642	4.279	50	5		KIBARM
O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])C(=O)C(=C([O-])c1cccc([N+](=O)[O-])c1)[C@@H]1OC(=O)c2ccccc21	ZINC000104195119	571376604	/nfs/dbraw/zinc/37/66/04/571376604.db2.gz	CQWFMTQWEVGWJX-SIKLNZKXSA-N	-1	0	523.841	4.075	50	5		KIBARM
O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])C(=O)C(=C([O-])c1cccc([N+](=O)[O-])c1)[C@H]1OC(=O)c2ccccc21	ZINC000104195123	571376564	/nfs/dbraw/zinc/37/65/64/571376564.db2.gz	CQWFMTQWEVGWJX-UGKGYDQZSA-N	-1	0	523.841	4.075	50	5		KIBARM
O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])C(=O)C(=C([O-])c1cccc([N+](=O)[O-])c1)[C@@H]1OC(=O)c2ccccc21	ZINC000104195127	571376614	/nfs/dbraw/zinc/37/66/14/571376614.db2.gz	CQWFMTQWEVGWJX-DENIHFKCSA-N	-1	0	523.841	4.075	50	5		KIBARM
O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])C(=O)C(=C([O-])c1cccc([N+](=O)[O-])c1)[C@H]1OC(=O)c2ccccc21	ZINC000104195133	571376612	/nfs/dbraw/zinc/37/66/12/571376612.db2.gz	CQWFMTQWEVGWJX-KNQAVFIVSA-N	-1	0	523.841	4.075	50	5		KIBARM
O=C([O-])[C@@H](CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21	ZINC000104841015	571386820	/nfs/dbraw/zinc/38/68/20/571386820.db2.gz	HBHWAVNNODKLBE-JOCHJYFZSA-N	-1	0	506.471	4.297	50	5		KIBARM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(=O)O[C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)cc1	ZINC000105484434	571405059	/nfs/dbraw/zinc/40/50/59/571405059.db2.gz	VNSZAWBOGALCQA-AWYKWWOESA-N	-1	0	541.626	4.334	50	5		KIBARM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(=O)O[C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)cc1	ZINC000105484438	571405082	/nfs/dbraw/zinc/40/50/82/571405082.db2.gz	VNSZAWBOGALCQA-IHAPDJFTSA-N	-1	0	541.626	4.334	50	5		KIBARM
C[C@H](OC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1C[C@H](C)C[C@@H](C)C1	ZINC000108930839	571427720	/nfs/dbraw/zinc/42/77/20/571427720.db2.gz	BRTMUCBFSAUUOG-OAGGEKHMSA-N	-1	0	523.995	4.099	50	5		KIBARM
C[C@H](OC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1C[C@H](C)C[C@H](C)C1	ZINC000108930843	571427669	/nfs/dbraw/zinc/42/76/69/571427669.db2.gz	BRTMUCBFSAUUOG-XHSDSOJGSA-N	-1	0	523.995	4.099	50	5		KIBARM
COc1ccc(C(=O)[O-])cc1NC(=O)/C(=C/c1ccc([N+](=O)[O-])o1)NC(=O)c1ccccc1Br	ZINC000113559913	571439922	/nfs/dbraw/zinc/43/99/22/571439922.db2.gz	ZAERIZWFNBIDKW-BOPFTXTBSA-N	-1	0	530.287	4.067	50	5		KIBARM
O=c1/c(=C\c2cc(I)c([O-])c([N+](=O)[O-])c2)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1	ZINC000150481554	571512819	/nfs/dbraw/zinc/51/28/19/571512819.db2.gz	XSVPEUAPMMILOY-SEXPAEGTSA-N	-1	0	652.426	4.445	50	5		KIBARM
O=c1/c(=C\c2cc(I)c([O-])c([N+](=O)[O-])c2)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1	ZINC000150481555	571512743	/nfs/dbraw/zinc/51/27/43/571512743.db2.gz	XSVPEUAPMMILOY-XOBACGFXSA-N	-1	0	652.426	4.445	50	5		KIBARM
O=c1/c(=C/c2cc(I)c([O-])c([N+](=O)[O-])c2)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1	ZINC000150497946	571518199	/nfs/dbraw/zinc/51/81/99/571518199.db2.gz	XSVPEUAPMMILOY-DKOMQPSQSA-N	-1	0	652.426	4.445	50	5		KIBARM
O=c1/c(=C/c2cc(I)c([O-])c([N+](=O)[O-])c2)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1	ZINC000150497949	571518231	/nfs/dbraw/zinc/51/82/31/571518231.db2.gz	XSVPEUAPMMILOY-IZBTWGKQSA-N	-1	0	652.426	4.445	50	5		KIBARM
O=C(Nc1nnc2[nH]c(=O)c(C(=C([O-])c3cccc([N+](=O)[O-])c3Cl)c3nn4c(NC(=O)Nc5ccc(Cl)cc5)nnc4[nH]c3=O)nn12)Nc1ccc(Cl)cc1	ZINC000169712916	571559187	/nfs/dbraw/zinc/55/91/87/571559187.db2.gz	DORYXXNUCAEGLS-UHFFFAOYSA-N	-1	0	806.931	4.110	50	5		KIBARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc([N+](=O)[O-])cc3)c(=O)c1=2)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccccc1	ZINC000226726322	572140061	/nfs/dbraw/zinc/14/00/61/572140061.db2.gz	FVMDOKZVFGOTOU-GPXOXTDOSA-N	-1	0	602.405	4.028	50	5		KIBARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc([N+](=O)[O-])cc3)c(=O)c1=2)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccccc1	ZINC000229872757	572163974	/nfs/dbraw/zinc/16/39/74/572163974.db2.gz	FVMDOKZVFGOTOU-CAOCKLPOSA-N	-1	0	602.405	4.028	50	5		KIBARM
CCOc1cccc(N2C(=O)[C@@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(OC)c(OC)c4OC)[C@@H]3C2=O)c1	ZINC000229940319	572171696	/nfs/dbraw/zinc/17/16/96/572171696.db2.gz	IWQXEEHDZDOYMZ-PPJWLVRDSA-N	-1	0	549.536	4.070	50	5		KIBARM
O=C1[N-]C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCN(c4ccccc4)C[C@H]32)C(=O)N1c1ccc(F)cc1	ZINC000230039661	572181048	/nfs/dbraw/zinc/18/10/48/572181048.db2.gz	UAMPHOPFRLQHBP-HOFKKMOUSA-N	-1	0	515.501	4.095	50	5		KIBARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Br)cc3)c(=O)c1=2)N1N=C(c2ccccc2)C[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000230072098	572182189	/nfs/dbraw/zinc/18/21/89/572182189.db2.gz	MBMNHMNTGOJCPM-ICDZXHCJSA-N	-1	0	602.405	4.028	50	5		KIBARM
O=C([O-])CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@H]3Sc3[nH]c(=O)sc3[C@@H]4c3cc([N+](=O)[O-])ccc3OCc3ccccc3Cl)[C@@H]2C1=O	ZINC000238901098	572189085	/nfs/dbraw/zinc/18/90/85/572189085.db2.gz	KVEXQSMVCLEQPB-ITJBBIHTSA-N	-1	0	628.084	4.135	50	5		KIBARM
O=C([O-])CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@H]3Sc3[nH]c(=O)sc3[C@H]4c3cc([N+](=O)[O-])ccc3OCc3ccccc3Cl)[C@@H]2C1=O	ZINC000238901099	572188872	/nfs/dbraw/zinc/18/88/72/572188872.db2.gz	KVEXQSMVCLEQPB-JAZNVOHHSA-N	-1	0	628.084	4.135	50	5		KIBARM
O=C([O-])CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@@H]3Sc3[nH]c(=O)sc3[C@@H]4c3cc([N+](=O)[O-])ccc3OCc3ccccc3Cl)[C@@H]2C1=O	ZINC000238901100	572189094	/nfs/dbraw/zinc/18/90/94/572189094.db2.gz	KVEXQSMVCLEQPB-RDBZEFMASA-N	-1	0	628.084	4.135	50	5		KIBARM
O=C([O-])CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@@H]3Sc3[nH]c(=O)sc3[C@H]4c3cc([N+](=O)[O-])ccc3OCc3ccccc3Cl)[C@@H]2C1=O	ZINC000238901101	572188960	/nfs/dbraw/zinc/18/89/60/572188960.db2.gz	KVEXQSMVCLEQPB-UDCPEAKDSA-N	-1	0	628.084	4.135	50	5		KIBARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Br)cc3)c(=O)c1=2)N1N=C(c2ccccc2)C[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000245239757	572213122	/nfs/dbraw/zinc/21/31/22/572213122.db2.gz	MBMNHMNTGOJCPM-CAOCKLPOSA-N	-1	0	602.405	4.028	50	5		KIBARM
COc1ccc([C@@H]2CC(c3cccc4ccccc43)=NN2C(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc([N+](=O)[O-])cc4)c(=O)c2=3)cc1	ZINC000245240984	572214603	/nfs/dbraw/zinc/21/46/03/572214603.db2.gz	VZQJNOFEEANDLO-SHSRKSKBSA-N	-1	0	603.595	4.428	50	5		KIBARM
CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc(I)c([O-])c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cccs1	ZINC000252670298	572275786	/nfs/dbraw/zinc/27/57/86/572275786.db2.gz	KCYXCVURNCFMTE-JOCHJYFZSA-N	-1	0	659.483	4.216	50	5		KIBARM
CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc(I)c([O-])c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cccs1	ZINC000252670299	572275802	/nfs/dbraw/zinc/27/58/02/572275802.db2.gz	KCYXCVURNCFMTE-QFIPXVFZSA-N	-1	0	659.483	4.216	50	5		KIBARM
CCCC(=O)OC[C@H](OC(=O)CCC)[C@@H](OC(=O)CCC)[C@H](Cn1c2cc(C)c(C)cc2nc2c(=O)[n-]c(=O)nc1-2)OC(=O)CCC	ZINC000253529441	572297951	/nfs/dbraw/zinc/29/79/51/572297951.db2.gz	MJNIWUJSIGSWKK-JYUFKMNQSA-N	-1	0	656.733	4.093	50	5	endogenous,in-man	KIBARM
Cc1cc2nc3c(=O)[n-]c(=O)nc-3n(C[C@H](OC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@H](CO)OC(=O)c3ccccc3)c2cc1C	ZINC000253623608	572301707	/nfs/dbraw/zinc/30/17/07/572301707.db2.gz	BDBORWYMDBTTFI-GCRSFRQPSA-N	-1	0	688.693	4.283	50	5		KIBARM
Cc1cc2nc3c(=O)[n-]c(=O)nc-3n(C[C@H](OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H](CO)OC(=O)c3ccccc3)c2cc1C	ZINC000253623609	572301718	/nfs/dbraw/zinc/30/17/18/572301718.db2.gz	BDBORWYMDBTTFI-LHHUKBANSA-N	-1	0	688.693	4.283	50	5		KIBARM
Cc1cc2nc3c(=O)[n-]c(=O)nc-3n(C[C@H](OC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@@H](CO)OC(=O)c3ccccc3)c2cc1C	ZINC000253623610	572301715	/nfs/dbraw/zinc/30/17/15/572301715.db2.gz	BDBORWYMDBTTFI-WTGSTYHVSA-N	-1	0	688.693	4.283	50	5		KIBARM
Cc1cc2nc3c(=O)[n-]c(=O)nc-3n(C[C@H](OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H](CO)OC(=O)c3ccccc3)c2cc1C	ZINC000253623611	572301705	/nfs/dbraw/zinc/30/17/05/572301705.db2.gz	BDBORWYMDBTTFI-XAGDYJCDSA-N	-1	0	688.693	4.283	50	5		KIBARM
COc1cc(-c2cc(=O)n(C)c3c2cc([N+](=O)[O-])cc3[N+](=O)[O-])c([O-])c(-c2cc(=O)n(C)c3c2cc([N+](=O)[O-])cc3[N+](=O)[O-])c1	ZINC000261492251	572110408	/nfs/dbraw/zinc/11/04/08/572110408.db2.gz	OZKZRPZENUTZDS-UHFFFAOYSA-N	-1	0	618.471	4.071	50	5		KIBARM
Cn1c(=O)cc(-c2ccc([O-])c(-c3cc(=O)n(C)c4c3cc([N+](=O)[O-])cc4[N+](=O)[O-])c2)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c21	ZINC000261492388	572110329	/nfs/dbraw/zinc/11/03/29/572110329.db2.gz	WQUZFVCGORQGIW-UHFFFAOYSA-N	-1	0	588.445	4.063	50	5		KIBARM