smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc2nc(/C=C\c3ccc([O-])c(Br)c3)sc2c1	ZINC000096297676	210238726	/nfs/dbraw/zinc/23/87/26/210238726.db2.gz	UMUZADPHECDFCI-CLTKARDFSA-N	-1	3	362.248	4.943	50	0		FJAAHM
CCOc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)cc1	ZINC000001143837	203987718	/nfs/dbraw/zinc/98/77/18/203987718.db2.gz	OBVPHRRJBAXQIP-UHFFFAOYSA-N	-1	3	369.442	4.678	50	0		FJAAHM
O=C(OCCOc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1[O-]	ZINC000003327545	204091367	/nfs/dbraw/zinc/09/13/67/204091367.db2.gz	PWVFBZVMMSXOSI-UHFFFAOYSA-N	-1	3	361.608	4.588	50	0		FJAAHM
CCOc1cc(Br)cc(-c2nc3ccccc3s2)c1[O-]	ZINC000002856139	204063389	/nfs/dbraw/zinc/06/33/89/204063389.db2.gz	LQAMKONAMCMBLW-UHFFFAOYSA-N	-1	3	350.237	4.830	50	0		FJAAHM
Cc1c(Cl)cccc1NC(=O)c1cc(-c2cc(Cl)ccc2[O-])[nH]n1	ZINC000005342699	204203582	/nfs/dbraw/zinc/20/35/82/204203582.db2.gz	BHTDQKJBFMELTJ-UHFFFAOYSA-N	-1	3	362.216	4.650	50	0		FJAAHM
Cc1c(Cl)cccc1NC(=O)c1cc(-c2cc(Cl)ccc2[O-])n[nH]1	ZINC000005342699	204203584	/nfs/dbraw/zinc/20/35/84/204203584.db2.gz	BHTDQKJBFMELTJ-UHFFFAOYSA-N	-1	3	362.216	4.650	50	0		FJAAHM
Cc1cc(NC(=O)COc2ccccc2)cc(-c2nc3ccccc3o2)c1[O-]	ZINC000004988485	204182988	/nfs/dbraw/zinc/18/29/88/204182988.db2.gz	MJBKJNRAIUDNEI-UHFFFAOYSA-N	-1	3	374.396	4.526	50	0		FJAAHM
O=C([N-]c1c(F)c(F)c(F)c(F)c1F)c1csc2c1CCCCC2	ZINC000005070337	204190953	/nfs/dbraw/zinc/19/09/53/204190953.db2.gz	KEZDVEBGXHUNKY-UHFFFAOYSA-N	-1	3	361.335	4.965	50	0		FJAAHM
O=C1[N-]C(=Cc2ccc(Sc3ccccc3)o2)C(=O)N1c1ccccc1	ZINC000005151479	204194476	/nfs/dbraw/zinc/19/44/76/204194476.db2.gz	NQSFDZNUBKRZLS-GHRIWEEISA-N	-1	3	362.410	4.528	50	0		FJAAHM
O=c1nc(CNc2ccc(Cl)cc2)[n-]c2scc(-c3ccccc3)c21	ZINC000007321820	204295911	/nfs/dbraw/zinc/29/59/11/204295911.db2.gz	CULWHCAYASAICD-UHFFFAOYSA-N	-1	3	367.861	4.917	50	0		FJAAHM
Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c(Cl)c1	ZINC000007403945	204296532	/nfs/dbraw/zinc/29/65/32/204296532.db2.gz	HDFOJFPKUDGJFK-UHFFFAOYSA-N	-1	3	350.654	4.756	50	0		FJAAHM
CCCCc1nnc([N-]C(=O)c2sc(-c3ccccc3)nc2C)s1	ZINC000007996129	204314059	/nfs/dbraw/zinc/31/40/59/204314059.db2.gz	RRUBCSGANBTBJW-UHFFFAOYSA-N	-1	3	358.492	4.565	50	0		FJAAHM
Cc1cc(C)c(C(=O)[C@@H](C)Sc2n[n-]c(-c3cccs3)n2)cc1C	ZINC000008230773	204322837	/nfs/dbraw/zinc/32/28/37/204322837.db2.gz	RXIITCMZLDCRAO-CYBMUJFWSA-N	-1	3	357.504	4.822	50	0		FJAAHM
C[C@H]1Cc2ccccc2N1Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1	ZINC000007503453	204299230	/nfs/dbraw/zinc/29/92/30/204299230.db2.gz	PCGHCMRUCHSQED-AWEZNQCLSA-N	-1	3	373.481	4.603	50	0		FJAAHM
Cc1ccc(O[C@H](C)C(=O)[N-]c2cc(-c3ccc(F)c(F)c3)no2)cc1C	ZINC000009250588	204359602	/nfs/dbraw/zinc/35/96/02/204359602.db2.gz	VAPGTFGIYUFBGL-CYBMUJFWSA-N	-1	3	372.371	4.643	50	0		FJAAHM
Cc1cc(NC(=O)/C=C/c2ccco2)cc(-c2nc3ccccc3o2)c1[O-]	ZINC000009481814	204369796	/nfs/dbraw/zinc/36/97/96/204369796.db2.gz	BKUWQVIJFPCFEI-CMDGGOBGSA-N	-1	3	360.369	4.754	50	0		FJAAHM
COCCn1c(C)c(C)c2cc(C(=O)Nc3cc(Cl)ccc3[O-])ccc21	ZINC000170621119	206275749	/nfs/dbraw/zinc/27/57/49/206275749.db2.gz	VQVVAJRDTBUIFW-UHFFFAOYSA-N	-1	3	372.852	4.516	50	0		FJAAHM
O=S(=O)([N-]c1ccccc1Cl)c1ccc(Cl)c(C(F)(F)F)c1	ZINC000016101119	206318561	/nfs/dbraw/zinc/31/85/61/206318561.db2.gz	VDRXUQSXTPLCIP-UHFFFAOYSA-N	-1	3	370.179	4.813	50	0		FJAAHM
CC(C)c1cc(=O)[n-]c(-c2ccc(CN(C)[C@H](C)c3cccs3)cc2)n1	ZINC000019781674	211255857	/nfs/dbraw/zinc/25/58/57/211255857.db2.gz	SCQPAYRSIVMJPN-OAHLLOKOSA-N	-1	3	367.518	4.815	50	0		FJAAHM
Cc1ccc2c(c1)Cc1c(nc(-c3cc(Cl)ccc3[O-])[nH]c1=S)O2	ZINC000015830894	211145580	/nfs/dbraw/zinc/14/55/80/211145580.db2.gz	NBOKFZVZJWAQCK-UHFFFAOYSA-N	-1	3	356.834	4.796	50	0		FJAAHM
Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)c1	ZINC000014256850	211089082	/nfs/dbraw/zinc/08/90/82/211089082.db2.gz	UKNHPDOVDKRQJB-UHFFFAOYSA-N	-1	3	353.443	4.897	50	0		FJAAHM
CN(Cn1[n-]c(C(C)(C)C)nc1=S)C(c1ccccc1)c1ccccc1	ZINC000014197187	211082996	/nfs/dbraw/zinc/08/29/96/211082996.db2.gz	UXKVSGMRUMZEDT-UHFFFAOYSA-N	-1	3	366.534	4.917	50	0		FJAAHM
C[C@@H]1CCCN(Cn2nc(-c3ccc(Cl)cc3Cl)[n-]c2=S)C1	ZINC000013098977	211021800	/nfs/dbraw/zinc/02/18/00/211021800.db2.gz	CBOUKYXEIJXPQL-SNVBAGLBSA-N	-1	3	357.310	4.604	50	0		FJAAHM
Cc1ccc(Cc2nnc([N-]C(=O)c3cc(Cl)ccc3Cl)o2)cc1	ZINC000035588324	210777406	/nfs/dbraw/zinc/77/74/06/210777406.db2.gz	PBEBEJGEARXNJI-UHFFFAOYSA-N	-1	3	362.216	4.528	50	0		FJAAHM
CC(C)Cc1nc2sc3c([n-]cnc3=S)c2c2c1COC(C)(C)C2	ZINC000005625060	210632249	/nfs/dbraw/zinc/63/22/49/210632249.db2.gz	NNLCFDVJXSFDPT-UHFFFAOYSA-N	-1	3	359.520	4.952	50	0		FJAAHM
CCc1nnc([N-]C(=O)c2cc3c(s2)c2ccccc2nc3Cl)s1	ZINC000004938491	210582676	/nfs/dbraw/zinc/58/26/76/210582676.db2.gz	OFKZGBYGFPQWSV-UHFFFAOYSA-N	-1	3	374.878	4.769	50	0		FJAAHM
CCCCCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1	ZINC000001852666	210373776	/nfs/dbraw/zinc/37/37/76/210373776.db2.gz	VWJZQQDAZVMVMW-UHFFFAOYSA-N	-1	3	353.871	4.710	50	0		FJAAHM
Cc1ccc(Sc2ncccc2C(=O)Nc2ccccc2[O-])cc1C	ZINC000022508157	220388533	/nfs/dbraw/zinc/38/85/33/220388533.db2.gz	PCNVHHVJVAKZHE-UHFFFAOYSA-N	-1	3	350.443	4.808	50	0		FJAAHM
O=C1C[C@H](c2ccccc2)CC2=Nc3nonc3[N-][C@@H](c3cccs3)C12	ZINC000102839804	222310138	/nfs/dbraw/zinc/31/01/38/222310138.db2.gz	VWXPNFPDQMVROO-PXAZEXFGSA-N	-1	3	364.430	4.760	50	0		FJAAHM
S=c1nccc(-c2csc(COc3cc(Cl)cc(Cl)c3)n2)[n-]1	ZINC000001047814	570476888	/nfs/dbraw/zinc/47/68/88/570476888.db2.gz	RUDIYTSNOOANPV-UHFFFAOYSA-N	-1	3	370.286	4.775	50	0		FJAAHM
CCCCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1C	ZINC000011565955	570481068	/nfs/dbraw/zinc/48/10/68/570481068.db2.gz	UXGPVFFIWSYOGR-UHFFFAOYSA-N	-1	3	353.871	4.628	50	0		FJAAHM
COc1ccc(Br)c(/C=C/c2ccc3cccc([O-])c3n2)c1	ZINC000004140773	570578621	/nfs/dbraw/zinc/57/86/21/570578621.db2.gz	FIANYJONZWXIBV-SOFGYWHQSA-N	-1	3	356.219	4.882	50	0		FJAAHM
Cc1cccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccccc2[O-])c1	ZINC000005219470	570636120	/nfs/dbraw/zinc/63/61/20/570636120.db2.gz	JQOBMGNBYJTQIL-BUHFOSPRSA-N	-1	3	354.409	4.570	50	0		FJAAHM
O=c1nc(CNc2cccc(Cl)c2)[n-]c2scc(-c3ccccc3)c21	ZINC000007321672	570662892	/nfs/dbraw/zinc/66/28/92/570662892.db2.gz	KPAANHHYLJMAJO-UHFFFAOYSA-N	-1	3	367.861	4.917	50	0		FJAAHM
O=C1c2[n-]nc(-c3ccccc3)c2[C@H](c2ccc(O)cc2)N1c1ccccc1	ZINC000005635450	570683242	/nfs/dbraw/zinc/68/32/42/570683242.db2.gz	XZACIMGJBLFKDF-QFIPXVFZSA-N	-1	3	367.408	4.532	50	0		FJAAHM
O=C1c2n[n-]c(-c3ccccc3)c2[C@H](c2ccc(O)cc2)N1c1ccccc1	ZINC000005635450	570683247	/nfs/dbraw/zinc/68/32/47/570683247.db2.gz	XZACIMGJBLFKDF-QFIPXVFZSA-N	-1	3	367.408	4.532	50	0		FJAAHM
O=C1c2[n-]nc(-c3ccccc3)c2[C@@H](c2ccc(O)cc2)N1c1ccccc1	ZINC000005635445	570683269	/nfs/dbraw/zinc/68/32/69/570683269.db2.gz	XZACIMGJBLFKDF-JOCHJYFZSA-N	-1	3	367.408	4.532	50	0		FJAAHM
O=C1c2n[n-]c(-c3ccccc3)c2[C@@H](c2ccc(O)cc2)N1c1ccccc1	ZINC000005635445	570683273	/nfs/dbraw/zinc/68/32/73/570683273.db2.gz	XZACIMGJBLFKDF-JOCHJYFZSA-N	-1	3	367.408	4.532	50	0		FJAAHM
CCC[C@H](C)n1[n-]c(=O)c2c1NC(=O)CS[C@@H]2c1ccc(Cl)cc1	ZINC000005643168	570683701	/nfs/dbraw/zinc/68/37/01/570683701.db2.gz	VCLZNSKKBGUXBB-ZUZCIYMTSA-N	-1	3	365.886	4.615	50	0		FJAAHM
CCCCSCc1nc2c(c(=O)[n-]1)C1(CCCC1)Cc1ccccc1-2	ZINC000009302181	570693905	/nfs/dbraw/zinc/69/39/05/570693905.db2.gz	LDHQDFOGNADUKO-UHFFFAOYSA-N	-1	3	354.519	4.838	50	0		FJAAHM
O=C(Nc1ccccc1C(F)(F)F)c1c[n-]c2c(Cl)cccc2c1=O	ZINC000013728694	570788104	/nfs/dbraw/zinc/78/81/04/570788104.db2.gz	OPQQDJRMYYRBKL-UHFFFAOYSA-N	-1	3	366.726	4.865	50	0		FJAAHM
O=C(Nc1ccccc1C(F)(F)F)c1cnc2c(Cl)cccc2c1[O-]	ZINC000013728694	570788106	/nfs/dbraw/zinc/78/81/06/570788106.db2.gz	OPQQDJRMYYRBKL-UHFFFAOYSA-N	-1	3	366.726	4.865	50	0		FJAAHM
O=S(=O)([N-]c1ccc(Cl)cc1Cl)c1ccc(C(F)(F)F)cc1	ZINC000016101656	570850538	/nfs/dbraw/zinc/85/05/38/570850538.db2.gz	GTYZQSQOFATCES-UHFFFAOYSA-N	-1	3	370.179	4.813	50	0		FJAAHM
CC(C)c1ccc(-c2nnc([N-]C(=O)c3cc(F)ccc3F)s2)cc1	ZINC000022587388	570947075	/nfs/dbraw/zinc/94/70/75/570947075.db2.gz	XHGCWCLWKHIQGU-UHFFFAOYSA-N	-1	3	359.401	4.859	50	0		FJAAHM
COc1ccc2nc([N-]C(=O)c3cc(-c4ccc(C)cc4)on3)sc2c1	ZINC000027662166	571016927	/nfs/dbraw/zinc/01/69/27/571016927.db2.gz	UIFRLNSWSCSHQW-UHFFFAOYSA-N	-1	3	365.414	4.521	50	0		FJAAHM
Cc1cc(OCC(=O)[N-]c2cc(-c3ccc(F)cc3)no2)cc(C)c1Cl	ZINC000027994030	571025896	/nfs/dbraw/zinc/02/58/96/571025896.db2.gz	DFPHZDWUTITTCE-UHFFFAOYSA-N	-1	3	374.799	4.768	50	0		FJAAHM
Cc1csc(SCc2ccccc2C(=O)Nc2ccccc2[O-])n1	ZINC000029568313	571041405	/nfs/dbraw/zinc/04/14/05/571041405.db2.gz	XDMTUKOBEMVQSC-UHFFFAOYSA-N	-1	3	356.472	4.702	50	0		FJAAHM
Cc1ccc(-c2cc([N-]C(=O)COc3cc(C)c(Cl)c(C)c3)on2)cc1	ZINC000009194919	571100433	/nfs/dbraw/zinc/10/04/33/571100433.db2.gz	FCBJWTZEHQQDAV-UHFFFAOYSA-N	-1	3	370.836	4.938	50	0		FJAAHM
COc1ccc([C@@H]2SC(C)=Nc3c2c(=O)[n-]n3C2CCCCC2)cc1	ZINC000085411899	571113419	/nfs/dbraw/zinc/11/34/19/571113419.db2.gz	ALFMRLBYCZKFOT-KRWDZBQOSA-N	-1	3	357.479	4.576	50	0		FJAAHM
CCOc1ccccc1CN(Cc1cc(Cl)c([O-])c(OC)c1)C1CC1	ZINC000055282071	571119272	/nfs/dbraw/zinc/11/92/72/571119272.db2.gz	ZDLFNFNQNQFBFX-UHFFFAOYSA-N	-1	3	361.869	4.618	50	0		FJAAHM
CCn1c2ccccc2c2cc(N[C@H](C)C(=O)[N-]c3cc(C)no3)ccc21	ZINC000011154447	571124805	/nfs/dbraw/zinc/12/48/05/571124805.db2.gz	YOPHLAPRDQJOMX-CQSZACIVSA-N	-1	3	362.433	4.550	50	0		FJAAHM
[O-]c1ccc2ccccc2c1-c1nc2ncccn2c1Nc1ccccc1	ZINC000004734136	571227165	/nfs/dbraw/zinc/22/71/65/571227165.db2.gz	BOPCXBJVQHBIGA-UHFFFAOYSA-N	-1	3	352.397	4.999	50	0		FJAAHM
O=S(=O)([N-]c1ccc(F)cc1Cl)c1cccc(Cl)c1Cl	ZINC000006627417	571237803	/nfs/dbraw/zinc/23/78/03/571237803.db2.gz	GAJIGJOYPZBWQF-UHFFFAOYSA-N	-1	3	354.617	4.587	50	0		FJAAHM
O=c1[n-]n(C2CCCCCC2)c2c1[C@@H](c1ccsc1)SCC(=O)N2	ZINC000079479211	571327500	/nfs/dbraw/zinc/32/75/00/571327500.db2.gz	DIFWHENPJGEMEV-OAHLLOKOSA-N	-1	3	363.508	4.557	50	0		FJAAHM
CC1=Nc2c(c(=O)[n-]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2ccccc2)S1	ZINC000095477181	571330904	/nfs/dbraw/zinc/33/09/04/571330904.db2.gz	QLJLTYQCZMCXTO-ZBFHGGJFSA-N	-1	3	357.479	4.605	50	0		FJAAHM
Cc1c(CN[C@@H](C)c2ccccc2)c(C(=O)[O-])c(C)n1-c1ccc(C)cc1	ZINC000021025204	571332255	/nfs/dbraw/zinc/33/22/55/571332255.db2.gz	LVSNPDHYLZFTMJ-INIZCTEOSA-N	-1	3	362.473	4.952	50	0		FJAAHM
C[C@@H]1CCCC[C@@H]1OCc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1	ZINC000095955449	571332847	/nfs/dbraw/zinc/33/28/47/571332847.db2.gz	OBWBPLIKWLIVAQ-CJNGLKHVSA-N	-1	3	354.475	4.747	50	0		FJAAHM
O=S(=O)([N-]Cc1ccccc1-c1ccsc1)c1ccc(Cl)s1	ZINC000096122958	571334610	/nfs/dbraw/zinc/33/46/10/571334610.db2.gz	GVXCWSFXODFNIV-UHFFFAOYSA-N	-1	3	369.920	4.609	50	0		FJAAHM
Cc1ccc2c(c1)[C@H]1OCC[C@H]1[C@@H](c1cc([O-])ccc1Br)N2	ZINC000030781338	571348487	/nfs/dbraw/zinc/34/84/87/571348487.db2.gz	GTOYWROGMNOIQP-IGNZVWTISA-N	-1	3	360.251	4.708	50	0		FJAAHM
CCCCOc1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1	ZINC000003893860	571352971	/nfs/dbraw/zinc/35/29/71/571352971.db2.gz	OPFADZWVVUMYEW-UHFFFAOYSA-N	-1	3	361.507	4.964	50	0		FJAAHM
Cc1ccc(NC(=O)c2cc(-c3cccnc3)nc3ccccc32)c([O-])c1	ZINC000032090542	571355512	/nfs/dbraw/zinc/35/55/12/571355512.db2.gz	FVRVHNKUEIEQTL-UHFFFAOYSA-N	-1	3	355.397	4.563	50	0		FJAAHM
[O-]c1ccccc1-c1nc(/C=C/c2ccccc2F)nn1-c1ccccc1	ZINC000004317337	571357917	/nfs/dbraw/zinc/35/79/17/571357917.db2.gz	SHUBZPZJNCKFAI-CCEZHUSRSA-N	-1	3	357.388	4.949	50	0		FJAAHM
O=S(=O)([N-]c1cc(Cl)ccc1Cl)c1ccc2ccccc2c1	ZINC000000726730	210265325	/nfs/dbraw/zinc/26/53/25/210265325.db2.gz	DALXNZKEZFKQGA-UHFFFAOYSA-N	-1	3	352.242	4.947	50	0		FJAAHM
Cc1ccc(-n2c(COc3ccc(Cl)cc3Cl)n[n-]c2=S)cc1	ZINC000000643989	210256504	/nfs/dbraw/zinc/25/65/04/210256504.db2.gz	VPLAJMUZEJMMKG-UHFFFAOYSA-N	-1	3	366.273	4.750	50	0		FJAAHM
CCN(CC)c1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)c(C)c1	ZINC000000682924	219313117	/nfs/dbraw/zinc/31/31/17/219313117.db2.gz	GWJKFGBVPRTXTO-UHFFFAOYSA-N	-1	3	368.502	4.795	50	0		FJAAHM
O=C1c2[n-]nc(-c3ccccc3)c2[C@H](c2cccc(F)c2)N1c1ccccc1	ZINC000004312507	204133309	/nfs/dbraw/zinc/13/33/09/204133309.db2.gz	UTOIMBUDMVVBPN-QFIPXVFZSA-N	-1	3	369.399	4.966	50	0		FJAAHM
O=C1c2n[n-]c(-c3ccccc3)c2[C@H](c2cccc(F)c2)N1c1ccccc1	ZINC000004312507	204133312	/nfs/dbraw/zinc/13/33/12/204133312.db2.gz	UTOIMBUDMVVBPN-QFIPXVFZSA-N	-1	3	369.399	4.966	50	0		FJAAHM
CCOc1cc(/C=C\C(=O)Nc2ccc(C)cc2[O-])ccc1OCC(C)C	ZINC000006489334	204249862	/nfs/dbraw/zinc/24/98/62/204249862.db2.gz	KZJHHZQVOVESGJ-FLIBITNWSA-N	-1	3	369.461	4.786	50	0		FJAAHM
COc1cc(/C=C/c2ccnc3ccccc23)cc(Br)c1[O-]	ZINC000007366958	204295035	/nfs/dbraw/zinc/29/50/35/204295035.db2.gz	WIRDBXHBRVYVII-VOTSOKGWSA-N	-1	3	356.219	4.882	50	0		FJAAHM
CCn1c2cc(C)ccc2c(CNCc2ccccc2Cl)c1C(=O)[O-]	ZINC000006795189	204270290	/nfs/dbraw/zinc/27/02/90/204270290.db2.gz	IVNUUFRAFZEHET-UHFFFAOYSA-N	-1	3	356.853	4.611	50	0		FJAAHM
Cc1c2cc(C)ccc2oc1C(=O)[N-]c1nc(-c2ccc(F)cc2)ns1	ZINC000008614056	204336724	/nfs/dbraw/zinc/33/67/24/204336724.db2.gz	DUDFAWAKQYHQLA-UHFFFAOYSA-N	-1	3	367.405	4.960	50	0		FJAAHM
O=C(Nc1cc(Cl)ccc1[O-])c1ccc(C2SCCS2)cc1	ZINC000042645405	205097171	/nfs/dbraw/zinc/09/71/71/205097171.db2.gz	OIBBIHIAWMYRGS-UHFFFAOYSA-N	-1	3	351.880	4.777	50	0		FJAAHM
O=C([N-]OCc1ccccc1)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1	ZINC000058390734	205274560	/nfs/dbraw/zinc/27/45/60/205274560.db2.gz	RYZCPTBKZVBOMN-DLBZAZTESA-N	-1	3	364.470	4.594	50	0		FJAAHM
Cc1ccc(-c2nnc([N-]C(=O)c3c(F)cccc3Cl)s2)c(C)c1	ZINC000065082888	205317105	/nfs/dbraw/zinc/31/71/05/205317105.db2.gz	YVZJIYUQBCTOMB-UHFFFAOYSA-N	-1	3	361.829	4.867	50	0		FJAAHM
Cc1cccc(C(=O)Nc2nnc(SCc3ccc(Cl)cc3)[n-]2)c1C	ZINC000012994377	211016573	/nfs/dbraw/zinc/01/65/73/211016573.db2.gz	BXTXGZWPMUHSAI-UHFFFAOYSA-N	-1	3	372.881	4.620	50	0		FJAAHM
Cc1cccc(C(=O)Nc2nc(SCc3ccc(Cl)cc3)n[n-]2)c1C	ZINC000012994377	211016578	/nfs/dbraw/zinc/01/65/78/211016578.db2.gz	BXTXGZWPMUHSAI-UHFFFAOYSA-N	-1	3	372.881	4.620	50	0		FJAAHM
Cc1cccc(C(=O)Nc2n[n-]c(SCc3ccc(Cl)cc3)n2)c1C	ZINC000012994377	211016580	/nfs/dbraw/zinc/01/65/80/211016580.db2.gz	BXTXGZWPMUHSAI-UHFFFAOYSA-N	-1	3	372.881	4.620	50	0		FJAAHM
O=S(=O)([N-][C@H]1CCSc2ccccc21)c1c(Cl)cccc1Cl	ZINC000012858554	211000582	/nfs/dbraw/zinc/00/05/82/211000582.db2.gz	VGXPIMOCRIYSJL-ZDUSSCGKSA-N	-1	3	374.314	4.509	50	0		FJAAHM
CCOc1ccc(-c2oc3cc(Cl)ccc3c(=O)c2[O-])cc1OCC	ZINC000001432493	210352801	/nfs/dbraw/zinc/35/28/01/210352801.db2.gz	LPKSIHWOLZNYDR-UHFFFAOYSA-N	-1	3	360.793	4.616	50	0		FJAAHM
O=S(=O)([N-]c1ccc(Nc2ccccc2)cc1)c1ccc(Cl)cc1	ZINC000001218153	210336890	/nfs/dbraw/zinc/33/68/90/210336890.db2.gz	UNEPVQIAVYQOSK-UHFFFAOYSA-N	-1	3	358.850	4.884	50	0		FJAAHM
CCOc1cc([O-])c(-c2n[nH]c(C)c2Oc2ccc(F)cc2)cc1CC	ZINC000001177454	210330096	/nfs/dbraw/zinc/33/00/96/210330096.db2.gz	NDTXOLKBFSAAJT-UHFFFAOYSA-N	-1	3	356.397	4.983	50	0		FJAAHM
O=c1oc2ccccc2cc1-c1nnc([N-]c2ccccc2Cl)s1	ZINC000001183650	210332021	/nfs/dbraw/zinc/33/20/21/210332021.db2.gz	UMZCCJIUGXKCKF-UHFFFAOYSA-N	-1	3	355.806	4.709	50	0		FJAAHM
[O-]c1ccccc1-c1nnc(SCc2ccccc2)n1-c1ccccc1	ZINC000001134506	210322481	/nfs/dbraw/zinc/32/24/81/210322481.db2.gz	BVEILHPWLHANJZ-UHFFFAOYSA-N	-1	3	359.454	4.932	50	0		FJAAHM
O=C(Nc1ccc(C2CCCCC2)cc1)C(=S)[N-]Cc1ccccc1	ZINC000001043239	210306478	/nfs/dbraw/zinc/30/64/78/210306478.db2.gz	IJLWEIZBBBPTFL-UHFFFAOYSA-N	-1	3	352.503	4.790	50	0		FJAAHM
Cc1nn(C)cc1[C@H]1SC(C)=Nc2c1c(=O)[n-]n2C1CCCCCCC1	ZINC000071288230	221339968	/nfs/dbraw/zinc/33/99/68/221339968.db2.gz	SCYOLSCOOKRVTF-QGZVFWFLSA-N	-1	3	373.526	4.802	50	0		FJAAHM
O=C1C[C@H](c2cccs2)CC2=Nc3nonc3[N-][C@H](c3ccccc3)C12	ZINC000102745944	222306169	/nfs/dbraw/zinc/30/61/69/222306169.db2.gz	DTHBEMAZLKBDEV-SJKOYZFVSA-N	-1	3	364.430	4.760	50	0		FJAAHM
O=C1c2ccc(Oc3ccc(Cl)cc3)cc2C(=O)N1c1ccccc1[O-]	ZINC000000992780	570469032	/nfs/dbraw/zinc/46/90/32/570469032.db2.gz	OPYITLSYJRSYEJ-UHFFFAOYSA-N	-1	3	365.772	4.639	50	0		FJAAHM
Cc1c([O-])c(-c2ccccc2)c(=O)n(-c2ccccn2)c1-c1ccccc1	ZINC000001043947	570476446	/nfs/dbraw/zinc/47/64/46/570476446.db2.gz	RERLGWOLSWAQLD-UHFFFAOYSA-N	-1	3	354.409	4.581	50	0		FJAAHM
COC(=O)c1sccc1[N-]C(=O)c1sc2cccc(F)c2c1Cl	ZINC000001054690	570477779	/nfs/dbraw/zinc/47/77/79/570477779.db2.gz	DRRLLIXXMXFEIG-UHFFFAOYSA-N	-1	3	369.826	4.794	50	0		FJAAHM
Cc1cc(NC(=O)c2ccc(F)cc2)cc(-c2nc3ccccc3o2)c1[O-]	ZINC000004988487	570571773	/nfs/dbraw/zinc/57/17/73/570571773.db2.gz	QEVUICDWZLXGFN-UHFFFAOYSA-N	-1	3	362.360	4.900	50	0		FJAAHM
Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1n[n-]c(-c2cccs2)n1	ZINC000005017612	570575413	/nfs/dbraw/zinc/57/54/13/570575413.db2.gz	BATNOXOVLRQUJW-NSHDSACASA-N	-1	3	368.487	4.686	50	0		FJAAHM
O=C(Nc1ccc(C(=O)Nc2cc(Cl)ccc2[O-])cc1)c1cccs1	ZINC000004520052	570594594	/nfs/dbraw/zinc/59/45/94/570594594.db2.gz	ZSSHKWNWLOYUHR-UHFFFAOYSA-N	-1	3	372.833	4.612	50	0		FJAAHM
Cc1cc2nc(-c3cc(NC(=O)c4cccnc4)cc(C)c3[O-])oc2c(C)c1	ZINC000004988463	570616627	/nfs/dbraw/zinc/61/66/27/570616627.db2.gz	HPJZDZOIKLZEEY-UHFFFAOYSA-N	-1	3	373.412	4.773	50	0		FJAAHM
CCOc1ccc(-c2n[nH]cc2-c2ccc(Br)cc2)c([O-])c1	ZINC000005163324	570618745	/nfs/dbraw/zinc/61/87/45/570618745.db2.gz	LQUBPWYXLXJRHK-UHFFFAOYSA-N	-1	3	359.223	4.611	50	0		FJAAHM
[O-]c1ccccc1-c1nc(/C=C/c2ccc(F)cc2)nn1-c1ccccc1	ZINC000005059476	570620013	/nfs/dbraw/zinc/62/00/13/570620013.db2.gz	GCESTEIGCCWYLL-NTCAYCPXSA-N	-1	3	357.388	4.949	50	0		FJAAHM
CCOC(=O)c1cc(CC)sc1[N-]c1nc2ccccc2nc1Cl	ZINC000005578613	570676934	/nfs/dbraw/zinc/67/69/34/570676934.db2.gz	XNGQPHZKVYDXGA-UHFFFAOYSA-N	-1	3	361.854	4.827	50	0		FJAAHM
CCOc1cc([C@@H]2Nc3ccccc3C(=O)N2CC(C)C)cc(Cl)c1[O-]	ZINC000032666137	570767856	/nfs/dbraw/zinc/76/78/56/570767856.db2.gz	SLJDXBYNIOUXLT-LJQANCHMSA-N	-1	3	374.868	4.667	50	0		FJAAHM
CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)cc1	ZINC000014225116	570813652	/nfs/dbraw/zinc/81/36/52/570813652.db2.gz	MPEQGTZPPXWQHL-LBPRGKRZSA-N	-1	3	373.396	4.900	50	0		FJAAHM
O=S(=O)(Cc1ccc(Cl)cc1)[N-]c1cc(Cl)ccc1Cl	ZINC000014291456	570817197	/nfs/dbraw/zinc/81/71/97/570817197.db2.gz	GZIAOCDUYWQJCR-UHFFFAOYSA-N	-1	3	350.654	4.589	50	0		FJAAHM
O=C(Nc1cccc2ccccc21)c1cc(=O)c(OCc2ccccc2)c[n-]1	ZINC000012168427	570890453	/nfs/dbraw/zinc/89/04/53/570890453.db2.gz	CXRCEPVJSFOUNM-UHFFFAOYSA-N	-1	3	370.408	4.772	50	0		FJAAHM
CN(Cn1nc(-c2cccs2)[n-]c1=S)[C@H]1CCCc2ccccc21	ZINC000045773860	570911970	/nfs/dbraw/zinc/91/19/70/570911970.db2.gz	RIZDMTLSVZOFDD-HNNXBMFYSA-N	-1	3	356.520	4.636	50	0		FJAAHM
Cc1ccc(C)c(NC(=O)c2cc(-c3cc(Cl)c(C)cc3[O-])[nH]n2)c1	ZINC000072238593	570994107	/nfs/dbraw/zinc/99/41/07/570994107.db2.gz	LRKPYERUQWAJJY-UHFFFAOYSA-N	-1	3	355.825	4.613	50	0		FJAAHM
O=c1c2ccccc2nc(/C=C\c2ccccc2Cl)n1-c1ccccc1[O-]	ZINC000004725295	571072453	/nfs/dbraw/zinc/07/24/53/571072453.db2.gz	UYTXUVRJZNSTPB-YPKPFQOOSA-N	-1	3	374.827	4.915	50	0		FJAAHM
C[C@@H](SCc1nc2c3ccccc3oc2c(=O)[n-]1)c1ccccc1F	ZINC000084660747	571095444	/nfs/dbraw/zinc/09/54/44/571095444.db2.gz	VRVFASXNEKXJFO-LLVKDONJSA-N	-1	3	354.406	4.803	50	0		FJAAHM
COc1ccc(CN(Cc2nccs2)Cc2ccccc2)c(Cl)c1[O-]	ZINC000055369272	571119965	/nfs/dbraw/zinc/11/99/65/571119965.db2.gz	LACHPZDPYJTAPS-UHFFFAOYSA-N	-1	3	374.893	4.713	50	0		FJAAHM
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(C)cc1[O-]	ZINC000057988007	571123378	/nfs/dbraw/zinc/12/33/78/571123378.db2.gz	NCLBBMLFLXXWOC-UHFFFAOYSA-N	-1	3	360.772	4.709	50	0		FJAAHM
CCCN(C[C@H]1CCCO1)C(=O)c1ccc(-c2cc(Cl)ccc2[O-])cc1	ZINC000426397985	571219594	/nfs/dbraw/zinc/21/95/94/571219594.db2.gz	AXTKRMDRHPJQPC-GOSISDBHSA-N	-1	3	373.880	4.744	50	0		FJAAHM
COC(=O)c1ccsc1[N-]C(=O)c1sc2cccc(F)c2c1Cl	ZINC000006735207	571244033	/nfs/dbraw/zinc/24/40/33/571244033.db2.gz	RGDRYNRFQZMDGI-UHFFFAOYSA-N	-1	3	369.826	4.794	50	0		FJAAHM
Cc1ccc(-c2csc3[n-]c(CN4CCCC[C@@H]4C)nc(=O)c23)c(C)c1	ZINC000036204082	571245177	/nfs/dbraw/zinc/24/51/77/571245177.db2.gz	HEAVKRWOYUNKEB-HNNXBMFYSA-N	-1	3	367.518	4.643	50	0		FJAAHM
O=c1nc(CN2CCCCCC2)[n-]c2scc(-c3ccccc3Cl)c21	ZINC000007002129	571256987	/nfs/dbraw/zinc/25/69/87/571256987.db2.gz	BRNPBRPFWCGVLG-UHFFFAOYSA-N	-1	3	373.909	4.681	50	0		FJAAHM
O=c1[n-]n(C2CCCCCCC2)c2c1[C@H](c1cccnc1)SCC(=O)N2	ZINC000079493505	571327616	/nfs/dbraw/zinc/32/76/16/571327616.db2.gz	CYAHHRJVOMQKFX-KRWDZBQOSA-N	-1	3	372.494	4.693	50	0		FJAAHM
CC1=Nc2c(c(=O)[n-]n2C2CCOCC2)[C@@H](c2ccc(C(C)C)cc2)S1	ZINC000095472577	571330737	/nfs/dbraw/zinc/33/07/37/571330737.db2.gz	CPXMAAWEPKMEMB-GOSISDBHSA-N	-1	3	371.506	4.950	50	0		FJAAHM
C[C@H]1CCCCN1Cc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[n-]1	ZINC000003583392	571351339	/nfs/dbraw/zinc/35/13/39/571351339.db2.gz	BADZAPVVFQCQRO-LBPRGKRZSA-N	-1	3	373.909	4.679	50	0		FJAAHM
O=C([N-]c1nnc(-c2ccccc2Cl)o1)c1cc(Cl)ccc1Cl	ZINC000004275914	571357530	/nfs/dbraw/zinc/35/75/30/571357530.db2.gz	LYMWWMGFFGTVBU-UHFFFAOYSA-N	-1	3	368.607	4.949	50	0		FJAAHM
O=C1[N-][C@H](c2ccc(Cl)cc2)Nc2c1sc(=S)n2-c1ccccc1	ZINC000000662896	210260252	/nfs/dbraw/zinc/26/02/52/210260252.db2.gz	PVWFEUGIAVRVBK-CQSZACIVSA-N	-1	3	373.890	4.776	50	0		FJAAHM
O=C1[N-][C@@H](c2ccc(Cl)cc2)Nc2c1sc(=S)n2-c1ccccc1	ZINC000000662894	210259135	/nfs/dbraw/zinc/25/91/35/210259135.db2.gz	PVWFEUGIAVRVBK-AWEZNQCLSA-N	-1	3	373.890	4.776	50	0		FJAAHM
COC(=O)c1sccc1[N-]C(=O)c1sc2ccccc2c1Cl	ZINC000000759473	219319825	/nfs/dbraw/zinc/31/98/25/219319825.db2.gz	FMCBYADCCGCMTF-UHFFFAOYSA-N	-1	3	351.836	4.655	50	0		FJAAHM
CCN(CC)c1ccc2cc(-c3nc4cc(Cl)ccc4[n-]3)c(=O)oc2c1	ZINC000001506495	204010350	/nfs/dbraw/zinc/01/03/50/204010350.db2.gz	WWOWVRJYEORQEZ-UHFFFAOYSA-N	-1	3	367.836	4.836	50	0		FJAAHM
CCN(CC)c1ccc2cc(-c3nc4ccc(Cl)cc4[n-]3)c(=O)oc2c1	ZINC000001506495	204010354	/nfs/dbraw/zinc/01/03/54/204010354.db2.gz	WWOWVRJYEORQEZ-UHFFFAOYSA-N	-1	3	367.836	4.836	50	0		FJAAHM
[O-]c1ccccc1-c1nc(/C=C/c2ccccc2O)nn1-c1ccccc1	ZINC000004171727	204125684	/nfs/dbraw/zinc/12/56/84/204125684.db2.gz	GGVQWZLCBIOGKE-CCEZHUSRSA-N	-1	3	355.397	4.516	50	0		FJAAHM
C[C@H]1Cc2ccccc2N1Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1	ZINC000007285386	204294066	/nfs/dbraw/zinc/29/40/66/204294066.db2.gz	UXZCIQZKQYTYME-AWEZNQCLSA-N	-1	3	373.481	4.603	50	0		FJAAHM
Cc1ccc(-c2csc3[n-]c(CN(C)C4CCCCC4)nc(=O)c23)cc1	ZINC000036203810	205007365	/nfs/dbraw/zinc/00/73/65/205007365.db2.gz	OJXDASDPZMQGDL-UHFFFAOYSA-N	-1	3	367.518	4.725	50	0		FJAAHM
Cc1csc(SCc2ccc(C(=O)Nc3ccccc3[O-])cc2)n1	ZINC000036626759	205018991	/nfs/dbraw/zinc/01/89/91/205018991.db2.gz	VHHWXJKFJGUFPO-UHFFFAOYSA-N	-1	3	356.472	4.702	50	0		FJAAHM
CC(C)CCN(C)Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1	ZINC000053363952	205193066	/nfs/dbraw/zinc/19/30/66/205193066.db2.gz	WROOIEQLECAYLC-UHFFFAOYSA-N	-1	3	359.470	4.681	50	0		FJAAHM
COc1c(F)ccc(F)c1C(=O)[N-]c1nc(-c2ccccc2C)cs1	ZINC000123748525	206114471	/nfs/dbraw/zinc/11/44/71/206114471.db2.gz	MOHLSIJEGHAIDE-UHFFFAOYSA-N	-1	3	360.385	4.658	50	0		FJAAHM
O=C([N-]c1nnc(-c2ccc(F)cc2)o1)c1sc2ccccc2c1Cl	ZINC000004275965	206174719	/nfs/dbraw/zinc/17/47/19/206174719.db2.gz	ILWJQMNIFSFBPT-UHFFFAOYSA-N	-1	3	373.796	4.996	50	0		FJAAHM
CCOC(=O)c1oc2ccccc2c1[N-]C(=O)c1c(F)cccc1Cl	ZINC000007347608	206208618	/nfs/dbraw/zinc/20/86/18/206208618.db2.gz	QISTZPVFAGLHOC-UHFFFAOYSA-N	-1	3	361.756	4.654	50	0		FJAAHM
Cc1cccn2cc(CSc3nnc([N-]c4ccccc4F)s3)nc12	ZINC000008215868	206213041	/nfs/dbraw/zinc/21/30/41/206213041.db2.gz	UWLXGGVWXJYJCS-UHFFFAOYSA-N	-1	3	371.466	4.669	50	0		FJAAHM
O=C(Cc1cccs1)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1	ZINC000022672873	206389455	/nfs/dbraw/zinc/38/94/55/206389455.db2.gz	KRWVDQNQEVUBHD-UHFFFAOYSA-N	-1	3	366.467	4.912	50	0		FJAAHM
CN(Cc1nc2c3ccccc3oc2c(=O)[n-]1)[C@@H]1CCCc2ccccc21	ZINC000023701944	211393033	/nfs/dbraw/zinc/39/30/33/211393033.db2.gz	GFEGGFNSLXEIBM-QGZVFWFLSA-N	-1	3	359.429	4.591	50	0		FJAAHM
O=C([N-]c1ccon1)c1sc2cccc(Br)c2c1Cl	ZINC000016604505	211164732	/nfs/dbraw/zinc/16/47/32/211164732.db2.gz	GHJFTPGAZXARAX-UHFFFAOYSA-N	-1	3	357.616	4.558	50	0		FJAAHM
O=C([N-]c1nc2ccccc2s1)c1cc(-c2ccc(Cl)cc2)on1	ZINC000014343227	211091651	/nfs/dbraw/zinc/09/16/51/211091651.db2.gz	FSNPSJGZSAIWRX-UHFFFAOYSA-N	-1	3	355.806	4.857	50	0		FJAAHM
CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)cc1	ZINC000014225112	211086008	/nfs/dbraw/zinc/08/60/08/211086008.db2.gz	DYDKGWIZDBLIHI-UHFFFAOYSA-N	-1	3	373.396	4.585	50	0		FJAAHM
O=S(=O)(Cc1ccccc1Cl)[N-]c1cccc(Cl)c1Cl	ZINC000001140646	210324587	/nfs/dbraw/zinc/32/45/87/210324587.db2.gz	JHQJJKCPDVVQJG-UHFFFAOYSA-N	-1	3	350.654	4.589	50	0		FJAAHM
COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1cccc(Cl)c1Cl	ZINC000001109751	210318644	/nfs/dbraw/zinc/31/86/44/210318644.db2.gz	VIFGZJOCKJCQAG-UHFFFAOYSA-N	-1	3	374.289	4.926	50	0		FJAAHM
Cc1ccc(NC(=O)c2ccc(CSc3ccccn3)cc2)c([O-])c1	ZINC000001037880	210305101	/nfs/dbraw/zinc/30/51/01/210305101.db2.gz	JRYTWUAJLRWIPV-UHFFFAOYSA-N	-1	3	350.443	4.640	50	0		FJAAHM
Cc1cccc(-n2ncc3c2nc(SC/C=C/c2ccccc2)[n-]c3=O)c1	ZINC000009522364	210286591	/nfs/dbraw/zinc/28/65/91/210286591.db2.gz	HXHQARGSWRKKLR-UXBLZVDNSA-N	-1	3	374.469	4.635	50	0		FJAAHM
[O-]c1cc2ccccc2cc1-c1nc2c3c4c(sc3ncn2n1)CCCC4	ZINC000000835668	210279017	/nfs/dbraw/zinc/27/90/17/210279017.db2.gz	ZGXJZVQZFJPZSL-UHFFFAOYSA-N	-1	3	372.453	4.744	50	0		FJAAHM
COc1ccc(-c2noc(C(F)(F)F)c2-c2csc(C)n2)c([O-])c1	ZINC000028224798	220564202	/nfs/dbraw/zinc/56/42/02/220564202.db2.gz	ADLAGLFELMETNO-UHFFFAOYSA-N	-1	3	356.325	4.507	50	0		FJAAHM
COc1cc(/C=C\c2ccnc3ccccc23)cc(Br)c1[O-]	ZINC000096891315	222136823	/nfs/dbraw/zinc/13/68/23/222136823.db2.gz	WIRDBXHBRVYVII-SREVYHEPSA-N	-1	3	356.219	4.882	50	0		FJAAHM
CCc1ccc(C(=O)[C@@H](C)Sc2nc3cc(Cl)ccc3c(=O)[n-]2)cc1	ZINC000083823527	523899172	/nfs/dbraw/zinc/89/91/72/523899172.db2.gz	IURMNIGAFCPULN-LLVKDONJSA-N	-1	3	372.877	4.915	50	0		FJAAHM
CCOc1ccc([N-]S(=O)(=O)c2ccc(-c3ccc(C)cc3)cc2)cc1	ZINC000000630190	570440751	/nfs/dbraw/zinc/44/07/51/570440751.db2.gz	KPRSOZDEEZVREC-UHFFFAOYSA-N	-1	3	367.470	4.862	50	0		FJAAHM
CCCc1nnc([N-]C(=O)c2c(Cl)ccc(Cl)c2Cl)s1	ZINC000000959429	570466633	/nfs/dbraw/zinc/46/66/33/570466633.db2.gz	IPAMSQAUHCYGAU-UHFFFAOYSA-N	-1	3	350.658	4.703	50	0		FJAAHM
O=C1S/C(=C\c2cc(Cl)ccc2[O-])C(=O)N1c1cccc(Cl)c1	ZINC000001011759	570471001	/nfs/dbraw/zinc/47/10/01/570471001.db2.gz	KSXSXHAKLYVLHB-AUWJEWJLSA-N	-1	3	366.225	4.940	50	0		FJAAHM
COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)cc1C	ZINC000001144871	570484072	/nfs/dbraw/zinc/48/40/72/570484072.db2.gz	ZECCREJMRODVBG-UHFFFAOYSA-N	-1	3	369.442	4.597	50	0		FJAAHM
COc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C(C)C)cc1Cl	ZINC000002887794	570543119	/nfs/dbraw/zinc/54/31/19/570543119.db2.gz	SCYYJWRIFSVBIQ-UHFFFAOYSA-N	-1	3	353.871	4.581	50	0		FJAAHM
CCc1cc(-c2n[nH]c(C)c2-c2nc3ccccc3s2)c([O-])cc1O	ZINC000005013091	570574966	/nfs/dbraw/zinc/57/49/66/570574966.db2.gz	DQGTXSGJJUMZCR-UHFFFAOYSA-N	-1	3	351.431	4.635	50	0		FJAAHM
Cc1c2cc(C)ccc2oc1C(=O)[N-]c1nc(-c2cccs2)ns1	ZINC000011914368	570601112	/nfs/dbraw/zinc/60/11/12/570601112.db2.gz	LPPXYUSJMBIJJJ-UHFFFAOYSA-N	-1	3	355.444	4.882	50	0		FJAAHM
CCc1cc(-c2n[nH]c(C)c2-c2nc3ccccc3s2)c([O-])cc1OC	ZINC000009135751	570691764	/nfs/dbraw/zinc/69/17/64/570691764.db2.gz	JJEVUPPZLBGACW-UHFFFAOYSA-N	-1	3	365.458	4.938	50	0		FJAAHM
[O-]c1ccc(CN2CCC(CO)(CCCc3ccccc3)CC2)cc1Cl	ZINC000012582304	570751331	/nfs/dbraw/zinc/75/13/31/570751331.db2.gz	SMQSBLIQHMKXMS-UHFFFAOYSA-N	-1	3	373.924	4.643	50	0		FJAAHM
CC(C)c1cc(=O)[n-]c(-c2ccc(CN(C)[C@@H](C)c3cccs3)cc2)n1	ZINC000019781673	570902640	/nfs/dbraw/zinc/90/26/40/570902640.db2.gz	SCQPAYRSIVMJPN-HNNXBMFYSA-N	-1	3	367.518	4.815	50	0		FJAAHM
Cc1ccc(NC(=O)c2cc(-c3cc(Cl)c(C)cc3[O-])[nH]n2)cc1C	ZINC000072238553	570993963	/nfs/dbraw/zinc/99/39/63/570993963.db2.gz	GFZDTWQELBPRIK-UHFFFAOYSA-N	-1	3	355.825	4.613	50	0		FJAAHM
[O-]c1ccc(Cl)c([C@H]2Oc3ccccc3[C@H]3CC(c4ccco4)=NN32)c1	ZINC000025559769	570997273	/nfs/dbraw/zinc/99/72/73/570997273.db2.gz	QOFFCTHEVIXSEA-YLJYHZDGSA-N	-1	3	366.804	4.881	50	0		FJAAHM
Cc1ccc(-c2cc(C(=O)[N-]c3nc4ccc(F)cc4s3)no2)cc1C	ZINC000027580775	571013928	/nfs/dbraw/zinc/01/39/28/571013928.db2.gz	GFPWDACDWHCCDU-UHFFFAOYSA-N	-1	3	367.405	4.960	50	0		FJAAHM
COc1ccc(-c2cc(C(=O)[N-]c3nc4ccc(C)cc4s3)no2)cc1	ZINC000028286960	571029223	/nfs/dbraw/zinc/02/92/23/571029223.db2.gz	QLGOAUZLENBXMQ-UHFFFAOYSA-N	-1	3	365.414	4.521	50	0		FJAAHM
CC(C)n1[n-]c(=O)c2c1NC(=O)C[C@@H]2c1ccc(-c2cccc(Cl)c2)o1	ZINC000071280771	571063587	/nfs/dbraw/zinc/06/35/87/571063587.db2.gz	YUOUMHXZDIFYCO-CYBMUJFWSA-N	-1	3	371.824	4.794	50	0		FJAAHM
O=C([O-])c1ccc(CNCc2cn(Cc3ccccc3)c3ccccc23)cc1	ZINC000247403799	571125195	/nfs/dbraw/zinc/12/51/95/571125195.db2.gz	NYYPWFMRASXIOS-UHFFFAOYSA-N	-1	3	370.452	4.678	50	0		FJAAHM
C[C@@H](Sc1nnc([N-]c2ccccc2F)s1)C(=O)c1ccccc1	ZINC000006176139	571140124	/nfs/dbraw/zinc/14/01/24/571140124.db2.gz	QQDZPCUJVLMJGU-LLVKDONJSA-N	-1	3	359.451	4.784	50	0		FJAAHM
CC(=O)c1cc2c(C)c(C(=O)c3ccc(Br)cc3)oc2cc1[O-]	ZINC000068734547	571153576	/nfs/dbraw/zinc/15/35/76/571153576.db2.gz	CBXAQTORZWUUGN-UHFFFAOYSA-N	-1	3	373.202	4.643	50	0		FJAAHM
O=C(Nc1ccc(Cl)c(Cl)c1)c1n[n-]nc1-c1cccc(Cl)c1	ZINC000575607436	571163669	/nfs/dbraw/zinc/16/36/69/571163669.db2.gz	LTKNTTZLGBTDOU-UHFFFAOYSA-N	-1	3	367.623	4.684	50	0		FJAAHM
Cc1cc(Br)ccc1[N-]S(=O)(=O)c1ccc(C(C)C)cc1	ZINC000006315684	571177370	/nfs/dbraw/zinc/17/73/70/571177370.db2.gz	WUDRAPSLHDMFJK-UHFFFAOYSA-N	-1	3	368.296	4.682	50	0		FJAAHM
Cc1noc(C)c1C(=O)[N-]c1c2ccccc2oc1C(=O)c1ccc(C)cc1	ZINC000035671810	571186842	/nfs/dbraw/zinc/18/68/42/571186842.db2.gz	BEMYIEZITORMLL-UHFFFAOYSA-N	-1	3	374.396	4.829	50	0		FJAAHM
CCCCCCc1cc2cc(C(=O)Nc3ccccc3)c(=N)oc2cc1[O-]	ZINC000003896059	571188782	/nfs/dbraw/zinc/18/87/82/571188782.db2.gz	RSZWSKKQSBCVGA-UHFFFAOYSA-N	-1	3	364.445	4.993	50	0		FJAAHM
Cc1c2ccccc2oc1C(=O)[N-]c1nnc(-c2cc(F)ccc2F)s1	ZINC000526052225	571265835	/nfs/dbraw/zinc/26/58/35/571265835.db2.gz	GEPXRXBFUAOMFI-UHFFFAOYSA-N	-1	3	371.368	4.790	50	0		FJAAHM
O=c1[n-]n(C2CCCCCC2)c2c1[C@H](c1ccsc1)SCC(=O)N2	ZINC000079479215	571327511	/nfs/dbraw/zinc/32/75/11/571327511.db2.gz	DIFWHENPJGEMEV-HNNXBMFYSA-N	-1	3	363.508	4.557	50	0		FJAAHM
O=c1[n-]n(C2CCCCCCC2)c2c1[C@H](c1ccncc1)SCC(=O)N2	ZINC000079493878	571327653	/nfs/dbraw/zinc/32/76/53/571327653.db2.gz	ISZVXPIPKZWNRT-KRWDZBQOSA-N	-1	3	372.494	4.693	50	0		FJAAHM
O=S(=O)([N-]c1ccccc1Cl)c1ccc(-c2cnc(C3CC3)o2)cc1	ZINC000021033830	571332326	/nfs/dbraw/zinc/33/23/26/571332326.db2.gz	AKOQDSGBHRRYHL-UHFFFAOYSA-N	-1	3	374.849	4.673	50	0		FJAAHM
CCOc1ccc(S(=O)(=O)[N-]c2c(CC)ccc(Cl)c2CC)cc1	ZINC000002624277	571339382	/nfs/dbraw/zinc/33/93/82/571339382.db2.gz	MXNOBDJGBSPBEW-UHFFFAOYSA-N	-1	3	367.898	4.664	50	0		FJAAHM
Cc1ccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc32)c([O-])c1	ZINC000031819166	571353869	/nfs/dbraw/zinc/35/38/69/571353869.db2.gz	VXANDHLJAXATHO-UHFFFAOYSA-N	-1	3	355.397	4.563	50	0		FJAAHM
Cc1csc(/C(=C/c2ccccc2)c2nc(-c3ccc([O-])cc3)no2)n1	ZINC000096919769	210241411	/nfs/dbraw/zinc/24/14/11/210241411.db2.gz	USVRZIFHYONCSC-GZTJUZNOSA-N	-1	3	361.426	4.796	50	0		FJAAHM
O=S(=O)([N-]c1cc(Cl)c(Cl)cc1Cl)c1ccc(F)cc1	ZINC000000753297	219317677	/nfs/dbraw/zinc/31/76/77/219317677.db2.gz	RQMJVZBCSYJOCR-UHFFFAOYSA-N	-1	3	354.617	4.587	50	0		FJAAHM
Cc1ccccc1-n1c(COc2ccc(C(C)(C)C)cc2)n[n-]c1=S	ZINC000002544683	204043783	/nfs/dbraw/zinc/04/37/83/204043783.db2.gz	HNFBXQSVJFFEPU-UHFFFAOYSA-N	-1	3	353.491	4.741	50	0		FJAAHM
Cc1cc([N-]C(=O)c2sc3cc(OC(F)F)ccc3c2Cl)no1	ZINC000002790814	204058600	/nfs/dbraw/zinc/05/86/00/204058600.db2.gz	RWYOXZRJNNOFMH-UHFFFAOYSA-N	-1	3	358.753	4.705	50	0		FJAAHM
COc1ccc(/C=C/c2ccc3cccc([O-])c3n2)cc1Br	ZINC000004140784	204123352	/nfs/dbraw/zinc/12/33/52/204123352.db2.gz	PMBIZNGETYOLED-VMPITWQZSA-N	-1	3	356.219	4.882	50	0		FJAAHM
COc1ccccc1-c1cc(C(=O)[N-]c2c(Cl)cccc2Cl)no1	ZINC000004880839	204171807	/nfs/dbraw/zinc/17/18/07/204171807.db2.gz	LYKMNBYYCFEZEM-UHFFFAOYSA-N	-1	3	363.200	4.909	50	0		FJAAHM
Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]c2ccc(F)cc2F)c1Cl	ZINC000007405072	204297297	/nfs/dbraw/zinc/29/72/97/204297297.db2.gz	JEMMZBXFNXLDAL-UHFFFAOYSA-N	-1	3	366.216	4.689	50	0		FJAAHM
O=C1c2[n-]nc(-c3ccc(F)cc3)c2[C@H](c2ccccc2)N1c1ccccc1	ZINC000006691050	204260950	/nfs/dbraw/zinc/26/09/50/204260950.db2.gz	KUMAQABVUFGWPC-QFIPXVFZSA-N	-1	3	369.399	4.966	50	0		FJAAHM
O=C1c2n[n-]c(-c3ccc(F)cc3)c2[C@H](c2ccccc2)N1c1ccccc1	ZINC000006691050	204260954	/nfs/dbraw/zinc/26/09/54/204260954.db2.gz	KUMAQABVUFGWPC-QFIPXVFZSA-N	-1	3	369.399	4.966	50	0		FJAAHM
C[C@@H]1Cc2ccccc2N1Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1	ZINC000007503451	204299316	/nfs/dbraw/zinc/29/93/16/204299316.db2.gz	PCGHCMRUCHSQED-CQSZACIVSA-N	-1	3	373.481	4.603	50	0		FJAAHM
CCc1nnc([N-]C(=O)c2ccc(-c3ccccc3C(F)(F)F)o2)s1	ZINC000008994097	204352230	/nfs/dbraw/zinc/35/22/30/204352230.db2.gz	FONULVYNTYUMQC-UHFFFAOYSA-N	-1	3	367.352	4.632	50	0		FJAAHM
Cc1cccc(O[C@@H](C)C(=O)[N-]c2cc(-c3ccc(F)c(F)c3)no2)c1C	ZINC000009250590	204359350	/nfs/dbraw/zinc/35/93/50/204359350.db2.gz	JKWULZNFNLULQH-ZDUSSCGKSA-N	-1	3	372.371	4.643	50	0		FJAAHM
Cc1cccc(O[C@H](C)C(=O)[N-]c2cc(-c3ccc(F)c(F)c3)no2)c1C	ZINC000009250591	204359685	/nfs/dbraw/zinc/35/96/85/204359685.db2.gz	JKWULZNFNLULQH-CYBMUJFWSA-N	-1	3	372.371	4.643	50	0		FJAAHM
O=C([N-]c1nnc(-c2ccsc2)s1)c1cc2cc(Cl)ccc2o1	ZINC000058423598	212010920	/nfs/dbraw/zinc/01/09/20/212010920.db2.gz	VNDBMNWIBGEUGT-UHFFFAOYSA-N	-1	3	361.835	4.919	50	0		FJAAHM
Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(-c3cnco3)cc2)c(C)c1C	ZINC000040146682	205059627	/nfs/dbraw/zinc/05/96/27/205059627.db2.gz	KMFDOEHPCOIXHR-UHFFFAOYSA-N	-1	3	370.474	4.685	50	0		FJAAHM
Cc1ccc(NC(=O)CCc2nc3ccccc3n2-c2ccccc2)c([O-])c1	ZINC000058190755	205257566	/nfs/dbraw/zinc/25/75/66/205257566.db2.gz	RUCYEUGZAWNVRN-UHFFFAOYSA-N	-1	3	371.440	4.611	50	0		FJAAHM
CN(Cc1nc2c3ccccc3oc2c(=O)[n-]1)c1ccc(C(C)(C)C)cc1	ZINC000059932260	205284086	/nfs/dbraw/zinc/28/40/86/205284086.db2.gz	TZEUWKHXJNSNIT-UHFFFAOYSA-N	-1	3	361.445	4.603	50	0		FJAAHM
C[C@H]1CCCC[C@@H]1OCc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1	ZINC000063579578	205293938	/nfs/dbraw/zinc/29/39/38/205293938.db2.gz	OBWBPLIKWLIVAQ-BBRMVZONSA-N	-1	3	354.475	4.747	50	0		FJAAHM
Cc1sc(-c2nnc(C(C)C)o2)cc1[N-]C(=O)c1c(F)cccc1F	ZINC000065149314	205319697	/nfs/dbraw/zinc/31/96/97/205319697.db2.gz	YPJMKSOTXSKUCK-UHFFFAOYSA-N	-1	3	363.389	4.760	50	0		FJAAHM
CC(C)Sc1ccccc1[N-]C(=O)c1cnc(-c2ccccn2)s1	ZINC000122060865	206111458	/nfs/dbraw/zinc/11/14/58/206111458.db2.gz	NCZSLWZRVIGVPG-UHFFFAOYSA-N	-1	3	355.488	4.958	50	0		FJAAHM
CC(C)(C)[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)c1cccs1	ZINC000032916396	211574779	/nfs/dbraw/zinc/57/47/79/211574779.db2.gz	YQUWMTJXXNWBKR-CQSZACIVSA-N	-1	3	361.891	4.606	50	0		FJAAHM
Cc1cc(C(=O)[N-]c2nc(-c3ccc(Cl)cc3Cl)cs2)on1	ZINC000012422416	206290164	/nfs/dbraw/zinc/29/01/64/206290164.db2.gz	ILCCQQCIPKFIJA-UHFFFAOYSA-N	-1	3	354.218	4.666	50	0		FJAAHM
Cc1cc(C(=O)[N-]c2nc(-c3ccc(Cl)c(Cl)c3)cs2)on1	ZINC000012422388	206291006	/nfs/dbraw/zinc/29/10/06/206291006.db2.gz	OCCZSIFFBDSISH-UHFFFAOYSA-N	-1	3	354.218	4.666	50	0		FJAAHM
CCc1ccc(CNCc2c(C)n(-c3ccccc3)c(C)c2C(=O)[O-])cc1	ZINC000021025886	211303958	/nfs/dbraw/zinc/30/39/58/211303958.db2.gz	MDHZSEOMMCQTEN-UHFFFAOYSA-N	-1	3	362.473	4.645	50	0		FJAAHM
CC1(C)[C@@H]2CC[C@]3(C)Oc4cc([O-])c(C(=O)c5ccccc5)c([O-])c4[C@H]1[C@H]23	ZINC000013403686	211031694	/nfs/dbraw/zinc/03/16/94/211031694.db2.gz	BQIVXBUAUNSLAJ-KKIPCARGSA-N	-1	3	364.441	4.630	50	0	biogenic,in-vitro	FJAAHM
CSc1ccccc1[N-]C(=O)c1cc2c(s1)c1ccccc1oc2=O	ZINC000002494671	210402776	/nfs/dbraw/zinc/40/27/76/210402776.db2.gz	XFFKSMFGXCBASD-UHFFFAOYSA-N	-1	3	367.451	4.982	50	0		FJAAHM
CCOc1ccc(-n2c(N)c(-c3nc4ccccc4[n-]3)sc2=S)cc1	ZINC000001130992	210322699	/nfs/dbraw/zinc/32/26/99/210322699.db2.gz	KQJWIOAXHOAHCN-UHFFFAOYSA-N	-1	3	368.487	4.792	50	0		FJAAHM
Cc1ccc(-c2csc([N-]C(=O)C(F)(F)F)c2C(=O)OC(C)C)cc1	ZINC000000668873	570445846	/nfs/dbraw/zinc/44/58/46/570445846.db2.gz	MZYBOEMTDMKJJW-UHFFFAOYSA-N	-1	3	371.380	4.790	50	0		FJAAHM
CCN(CC)c1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)c(C)c1	ZINC000000683163	570450158	/nfs/dbraw/zinc/45/01/58/570450158.db2.gz	AYHYGECEKKBRBY-UHFFFAOYSA-N	-1	3	374.550	4.940	50	0		FJAAHM
O=C1c2[n-]nc(-c3ccccc3)c2[C@@H](c2ccccc2F)N1c1ccccc1	ZINC000001198791	570491549	/nfs/dbraw/zinc/49/15/49/570491549.db2.gz	BLDCSXVURSRSQP-JOCHJYFZSA-N	-1	3	369.399	4.966	50	0		FJAAHM
O=C1c2n[n-]c(-c3ccccc3)c2[C@@H](c2ccccc2F)N1c1ccccc1	ZINC000001198791	570491551	/nfs/dbraw/zinc/49/15/51/570491551.db2.gz	BLDCSXVURSRSQP-JOCHJYFZSA-N	-1	3	369.399	4.966	50	0		FJAAHM
Cc1cc(C)n(-c2nc(-c3ccc(C)cc3)cc(-c3ccccc3[O-])n2)n1	ZINC000005008551	570617935	/nfs/dbraw/zinc/61/79/35/570617935.db2.gz	CBKHZNMGYZYPLD-UHFFFAOYSA-N	-1	3	356.429	4.627	50	0		FJAAHM
Cc1ccc(S(=O)(=O)[N-]c2ccc3oc4c(c3c2)CC[C@@H](C)C4)c(C)c1	ZINC000005214446	570635651	/nfs/dbraw/zinc/63/56/51/570635651.db2.gz	GTUHIOCHOSZVKE-CQSZACIVSA-N	-1	3	369.486	4.975	50	0		FJAAHM
O=C1c2[n-]nc(-c3ccccc3)c2[C@@H](c2ccc(F)cc2)N1c1ccccc1	ZINC000005248644	570638975	/nfs/dbraw/zinc/63/89/75/570638975.db2.gz	HQGIHEHYJOSVLC-JOCHJYFZSA-N	-1	3	369.399	4.966	50	0		FJAAHM
O=C1c2n[n-]c(-c3ccccc3)c2[C@@H](c2ccc(F)cc2)N1c1ccccc1	ZINC000005248644	570638977	/nfs/dbraw/zinc/63/89/77/570638977.db2.gz	HQGIHEHYJOSVLC-JOCHJYFZSA-N	-1	3	369.399	4.966	50	0		FJAAHM
Cc1c(C)n(C2CCCCC2)c2ncn3nc(-c4ccccc4[O-])nc3c12	ZINC000006764195	570654058	/nfs/dbraw/zinc/65/40/58/570654058.db2.gz	YKUPBHLPBNDRTD-UHFFFAOYSA-N	-1	3	361.449	4.574	50	0		FJAAHM
Cc1c2cc(Cl)ccc2oc1C(=O)[N-]c1nonc1-c1ccccc1	ZINC000005421427	570654633	/nfs/dbraw/zinc/65/46/33/570654633.db2.gz	ATCXIFPWOWAZSN-UHFFFAOYSA-N	-1	3	353.765	4.697	50	0		FJAAHM
CCC[C@H](C)n1[n-]c(=O)c2c1NC(=O)CS[C@H]2c1ccc(Cl)cc1	ZINC000005643144	570683734	/nfs/dbraw/zinc/68/37/34/570683734.db2.gz	VCLZNSKKBGUXBB-BONVTDFDSA-N	-1	3	365.886	4.615	50	0		FJAAHM
COc1ccccc1-c1c[nH]nc1-c1ccc(OCC=C(C)C)cc1[O-]	ZINC000008740683	570686705	/nfs/dbraw/zinc/68/67/05/570686705.db2.gz	LYJPKABFNQYMNO-UHFFFAOYSA-N	-1	3	350.418	4.803	50	0		FJAAHM
Cc1sc2[n-]c(CNc3ccc(F)cc3)nc(=O)c2c1-c1ccccc1	ZINC000013362362	570777192	/nfs/dbraw/zinc/77/71/92/570777192.db2.gz	HFPPNGYNFQSCQG-UHFFFAOYSA-N	-1	3	365.433	4.711	50	0		FJAAHM
O=C(Nc1ccc(OCc2ccccc2)cc1)c1c[n-]nc1-c1ccccc1	ZINC000032856028	570822154	/nfs/dbraw/zinc/82/21/54/570822154.db2.gz	QDACNQCPNLAPFF-UHFFFAOYSA-N	-1	3	369.424	4.908	50	0		FJAAHM
CSc1ccc([C@H]2[N-]c3nonc3N=C3CC(C)(C)CC(=O)C32)cc1	ZINC000102739597	570837675	/nfs/dbraw/zinc/83/76/75/570837675.db2.gz	CCXBKFCFTTYOCF-OAHLLOKOSA-N	-1	3	356.451	4.663	50	0		FJAAHM
Cc1cc2sc([N-]C(=O)c3cc(-c4cccs4)on3)nc2c(C)c1	ZINC000021447281	570930542	/nfs/dbraw/zinc/93/05/42/570930542.db2.gz	IDEFFGMWKQEAMY-UHFFFAOYSA-N	-1	3	355.444	4.882	50	0		FJAAHM
Cc1ccc(C(C)C)c(OCC(=O)[N-]c2cc(-c3ccccc3)no2)c1	ZINC000027664442	571018620	/nfs/dbraw/zinc/01/86/20/571018620.db2.gz	MFBMMSXBVIESNE-UHFFFAOYSA-N	-1	3	350.418	4.791	50	0		FJAAHM
FC(F)n1ccnc1CSc1nnc([N-]c2ccccc2Cl)s1	ZINC000030886770	571052382	/nfs/dbraw/zinc/05/23/82/571052382.db2.gz	DCSKVSMKCMMBAP-UHFFFAOYSA-N	-1	3	373.841	4.819	50	0		FJAAHM
C[C@H](SCc1nc2c3ccccc3oc2c(=O)[n-]1)c1ccccc1F	ZINC000084660745	571095575	/nfs/dbraw/zinc/09/55/75/571095575.db2.gz	VRVFASXNEKXJFO-NSHDSACASA-N	-1	3	354.406	4.803	50	0		FJAAHM
O=C([N-]c1nc2ccccc2s1)c1noc2c1CSc1ccccc1-2	ZINC000015673893	571101679	/nfs/dbraw/zinc/10/16/79/571101679.db2.gz	UMODBRPRYBOZSZ-UHFFFAOYSA-N	-1	3	365.439	4.809	50	0		FJAAHM
COc1cc(CN(Cc2ccsc2)Cc2cccnc2)cc(Cl)c1[O-]	ZINC000055254939	571118735	/nfs/dbraw/zinc/11/87/35/571118735.db2.gz	BXRNICULPCHWNR-UHFFFAOYSA-N	-1	3	374.893	4.713	50	0		FJAAHM
Cc1ncc(-c2ccc(C)c(S(=O)(=O)[N-]c3c(C)cc(C)cc3C)c2)o1	ZINC000009807721	571119444	/nfs/dbraw/zinc/11/94/44/571119444.db2.gz	VYBIGSIHHPHKHP-UHFFFAOYSA-N	-1	3	370.474	4.685	50	0		FJAAHM
COc1ccccc1[C@@H]1CC(=O)Nc2c1c(=O)[n-]n2C1CCCCCCC1	ZINC000071280332	571121191	/nfs/dbraw/zinc/12/11/91/571121191.db2.gz	BQPJGIHYLTZJLE-INIZCTEOSA-N	-1	3	369.465	4.594	50	0		FJAAHM
COc1ccc(/C=C/c2nc(-c3ccccc3[O-])n(-c3ccccc3)n2)cc1	ZINC000017729486	571122653	/nfs/dbraw/zinc/12/26/53/571122653.db2.gz	RZHQXFXLIKOEAO-DTQAZKPQSA-N	-1	3	369.424	4.819	50	0		FJAAHM
CCc1nnc([N-]C(=O)c2csc(-c3ccc(C(C)C)cc3)n2)s1	ZINC000012917044	571144443	/nfs/dbraw/zinc/14/44/43/571144443.db2.gz	VFYHELNTVJIQJN-UHFFFAOYSA-N	-1	3	358.492	4.600	50	0		FJAAHM
O=C([N-]c1nnc(-c2ccc(Cl)cc2)s1)c1c(F)cccc1Cl	ZINC000004079033	571211059	/nfs/dbraw/zinc/21/10/59/571211059.db2.gz	QXACZPQNTKBSSG-UHFFFAOYSA-N	-1	3	368.220	4.903	50	0		FJAAHM
COCC[C@H]1CCCCN1C(=O)c1ccc(-c2cc(Cl)ccc2[O-])cc1	ZINC000426509287	571229144	/nfs/dbraw/zinc/22/91/44/571229144.db2.gz	DURFQXVAUFFDLY-GOSISDBHSA-N	-1	3	373.880	4.744	50	0		FJAAHM
CC1(C)Cc2oc3nc(SCc4ccccc4)[n-]c(=S)c3c2CO1	ZINC000085407525	571233381	/nfs/dbraw/zinc/23/33/81/571233381.db2.gz	NKFGYHYRHVKYTQ-UHFFFAOYSA-N	-1	3	358.488	4.655	50	0		FJAAHM
Cc1ccc(-c2csc3[n-]c(CN4CCC(C)CC4)nc(=O)c23)cc1C	ZINC000036203732	571244963	/nfs/dbraw/zinc/24/49/63/571244963.db2.gz	CUWTUXFDJUAYME-UHFFFAOYSA-N	-1	3	367.518	4.500	50	0		FJAAHM
Cc1ccc(C)c(-c2csc3[n-]c(CN4CCCC[C@H]4C)nc(=O)c23)c1	ZINC000036204130	571245187	/nfs/dbraw/zinc/24/51/87/571245187.db2.gz	YIZLHSWCXNLJFW-OAHLLOKOSA-N	-1	3	367.518	4.643	50	0		FJAAHM
C[C@@H](NC(=O)N(Cc1ccccn1)C1CCCCC1)c1ccc([O-])c(F)c1	ZINC000584898615	571315753	/nfs/dbraw/zinc/31/57/53/571315753.db2.gz	UGZOHNNIZFISHT-OAHLLOKOSA-N	-1	3	371.456	4.532	50	0		FJAAHM
O=C(/C=C/c1ccccc1Br)c1ccc([O-])c(CCCl)c1	ZINC000012906290	571322825	/nfs/dbraw/zinc/32/28/25/571322825.db2.gz	UYWQEMYYPVVWJR-FNORWQNLSA-N	-1	3	365.654	4.832	50	0		FJAAHM
CC[C@H]1CCCCN1CCn1c(=O)c2sc3ccccc3c2[n-]c1=S	ZINC000002961721	571343007	/nfs/dbraw/zinc/34/30/07/571343007.db2.gz	RXEIHGFQHMHMFE-ZDUSSCGKSA-N	-1	3	373.547	4.538	50	0		FJAAHM
Cc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)c(C)c1	ZINC000003330116	571347544	/nfs/dbraw/zinc/34/75/44/571347544.db2.gz	HKVDBJGGGWJFTL-UHFFFAOYSA-N	-1	3	367.470	4.683	50	0		FJAAHM
COc1cc([C@H]2Nc3ccc(C)cc3[C@H]3OCCC[C@@H]23)cc(Cl)c1[O-]	ZINC000030779955	571348491	/nfs/dbraw/zinc/34/84/91/571348491.db2.gz	ROUYOQDHRIMYQX-VIZZQPHQSA-N	-1	3	359.853	4.997	50	0		FJAAHM
CCCCC(=O)NC([N-]c1cccc(C)c1)(C(F)(F)F)C(F)(F)F	ZINC000003024846	204074838	/nfs/dbraw/zinc/07/48/38/204074838.db2.gz	VCQDTSQGXVOHCT-UHFFFAOYSA-N	-1	3	356.310	4.534	50	0		FJAAHM
CCSc1nnc([N-]C(=O)c2oc3ccc(Cl)cc3c2C)s1	ZINC000003105661	204078474	/nfs/dbraw/zinc/07/84/74/204078474.db2.gz	BSOMAJRCHDSGGT-UHFFFAOYSA-N	-1	3	353.856	4.610	50	0		FJAAHM
Cc1onc(-c2ccccc2Cl)c1C(=O)[N-]c1cccc2nsnc21	ZINC000003180717	204080514	/nfs/dbraw/zinc/08/05/14/204080514.db2.gz	UMZPPNNPAALTJR-UHFFFAOYSA-N	-1	3	370.821	4.560	50	0		FJAAHM
COc1ccc(CSc2nnc([N-]c3ccccc3F)s2)cc1F	ZINC000002622629	204046860	/nfs/dbraw/zinc/04/68/60/204046860.db2.gz	GBBPYAAPLHUZRF-UHFFFAOYSA-N	-1	3	365.430	4.861	50	0		FJAAHM
CCCCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)c2ccc(C(C)(C)C)cc2)N1	ZINC000004009289	204117309	/nfs/dbraw/zinc/11/73/09/204117309.db2.gz	QIDKLQOBTVAGKR-SFHVURJKSA-N	-1	3	370.415	4.627	50	0		FJAAHM
CC1CCN(Cc2nc(=O)c3c(-c4ccc(Cl)cc4)csc3[n-]2)CC1	ZINC000003538730	204106082	/nfs/dbraw/zinc/10/60/82/204106082.db2.gz	VNHZWAKGRDGKRJ-UHFFFAOYSA-N	-1	3	373.909	4.537	50	0		FJAAHM
CCCCc1ccc(Nc2nc([O-])c(Cc3ccc(OC)cc3)s2)cc1	ZINC000005869463	204228360	/nfs/dbraw/zinc/22/83/60/204228360.db2.gz	QEPPRLMSBLVGDM-LJQANCHMSA-N	-1	3	368.502	4.690	50	0		FJAAHM
Cc1ccc(-c2cc([N-]C(=O)[C@@H](C)Oc3ccc(C)c(C)c3)on2)cc1	ZINC000008612379	204336363	/nfs/dbraw/zinc/33/63/63/204336363.db2.gz	LRSIZDQOQKDAGE-MRXNPFEDSA-N	-1	3	350.418	4.673	50	0		FJAAHM
Cc1ccc(-c2cc([N-]C(=O)COc3ccc(C(C)(C)C)cc3)on2)cc1	ZINC000008869067	204347571	/nfs/dbraw/zinc/34/75/71/204347571.db2.gz	ZNLYLUSXIBSBMU-UHFFFAOYSA-N	-1	3	364.445	4.965	50	0		FJAAHM
O=C([N-]OCc1ccccc1)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1	ZINC000058390733	212007511	/nfs/dbraw/zinc/00/75/11/212007511.db2.gz	RYZCPTBKZVBOMN-IAGOWNOFSA-N	-1	3	364.470	4.594	50	0		FJAAHM
Cc1c2ccc(C)cc2oc1C(=O)[N-]c1nonc1-c1ccc(C)c(C)c1	ZINC000027989989	204871609	/nfs/dbraw/zinc/87/16/09/204871609.db2.gz	FJRJUDNLGKIGCD-UHFFFAOYSA-N	-1	3	361.401	4.969	50	0		FJAAHM
O=C([N-]c1nc(-c2ccc[nH]2)cs1)c1cc(-c2ccccc2Cl)on1	ZINC000047443627	205147011	/nfs/dbraw/zinc/14/70/11/205147011.db2.gz	WYPKCTPMLUPUEK-UHFFFAOYSA-N	-1	3	370.821	4.699	50	0		FJAAHM
CCCN(CCC)Cc1nc2c(c(=O)[n-]1)C(CC)(CC)Cc1ccccc1-2	ZINC000055556785	205220684	/nfs/dbraw/zinc/22/06/84/205220684.db2.gz	DNAJWEKWKGBMSY-UHFFFAOYSA-N	-1	3	367.537	4.673	50	0		FJAAHM
Cc1noc(C)c1-c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2C)c1	ZINC000064837523	205305945	/nfs/dbraw/zinc/30/59/45/205305945.db2.gz	KKWNPJUIQKIBRP-UHFFFAOYSA-N	-1	3	370.474	4.685	50	0		FJAAHM
Cc1onc(-c2ccccc2Cl)c1C(=O)[N-]c1cc(C(C)(C)C)on1	ZINC000016604989	211164063	/nfs/dbraw/zinc/16/40/63/211164063.db2.gz	PLWDBUHODZYPGO-UHFFFAOYSA-N	-1	3	359.813	4.841	50	0		FJAAHM
COc1ccc(-c2cc3nccc(-c4cc(Cl)c(C)cc4[O-])n3n2)cc1	ZINC000013828324	211061180	/nfs/dbraw/zinc/06/11/80/211061180.db2.gz	SATVMQLIQHFHEL-UHFFFAOYSA-N	-1	3	365.820	4.739	50	0		FJAAHM
COc1ccccc1Oc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1	ZINC000001133060	210323666	/nfs/dbraw/zinc/32/36/66/210323666.db2.gz	HPYXWZVOELVSRO-UHFFFAOYSA-N	-1	3	369.442	4.597	50	0		FJAAHM
COC(=O)c1sccc1[N-]C(=O)c1sc2cc(C)ccc2c1Cl	ZINC000001117067	210319020	/nfs/dbraw/zinc/31/90/20/210319020.db2.gz	PVHISPDQARJIEZ-UHFFFAOYSA-N	-1	3	365.863	4.964	50	0		FJAAHM
O=c1[n-]n(C2CCCC2)c2c1[C@@H](c1ccc(Cl)cc1Cl)CC(=O)N2	ZINC000071279829	221336575	/nfs/dbraw/zinc/33/65/75/221336575.db2.gz	FDKYGHALGUMVNN-GFCCVEGCSA-N	-1	3	366.248	4.722	50	0		FJAAHM
O=C1CCCC2=Nc3nonc3[N-][C@H](c3ccc(Cl)cc3Cl)C12	ZINC000102752749	222306700	/nfs/dbraw/zinc/30/67/00/222306700.db2.gz	FGUPWYAQMVRVDV-CYBMUJFWSA-N	-1	3	351.193	4.612	50	0		FJAAHM
CCCOc1c(Cl)cc(CNCc2ccc(C(=O)[O-])cc2)cc1Cl	ZINC000020926442	520297091	/nfs/dbraw/zinc/29/70/91/520297091.db2.gz	UDEVITBUJMDULQ-UHFFFAOYSA-N	-1	3	368.260	4.770	50	0		FJAAHM
CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccc([O-])cc1	ZINC000094968027	570450944	/nfs/dbraw/zinc/45/09/44/570450944.db2.gz	HYPGKAXEUHPBJD-UHFFFAOYSA-N	-1	3	367.426	4.550	50	0		FJAAHM
[O-]c1cccc2ccc(/C=C/c3cc4c(cc3Br)OCO4)nc12	ZINC000005102030	570621208	/nfs/dbraw/zinc/62/12/08/570621208.db2.gz	BTSZPGWVNYIRDI-FNORWQNLSA-N	-1	3	370.202	4.602	50	0		FJAAHM
Cc1ccc(-c2cc([N-]C(=O)[C@H](C)Oc3ccccc3Cl)on2)cc1	ZINC000006755275	570653561	/nfs/dbraw/zinc/65/35/61/570653561.db2.gz	QPIUXFOPYHVILO-ZDUSSCGKSA-N	-1	3	356.809	4.709	50	0		FJAAHM
O=c1nc(CNc2ccccc2Cl)[n-]c2scc(-c3ccccc3)c21	ZINC000007321170	570662730	/nfs/dbraw/zinc/66/27/30/570662730.db2.gz	XYDXLEJPLFHLDO-UHFFFAOYSA-N	-1	3	367.861	4.917	50	0		FJAAHM
Cc1nc(-c2cccc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)c2)cs1	ZINC000032679024	570767489	/nfs/dbraw/zinc/76/74/89/570767489.db2.gz	MDZOQPHMZODVHU-UHFFFAOYSA-N	-1	3	372.515	4.845	50	0		FJAAHM
COc1cc([C@@H]2Nc3ccc(C)cc3[C@H]3OCCC[C@@H]23)cc(Cl)c1[O-]	ZINC000015017427	570829713	/nfs/dbraw/zinc/82/97/13/570829713.db2.gz	ROUYOQDHRIMYQX-GMVOTWDCSA-N	-1	3	359.853	4.997	50	0		FJAAHM
CCc1nnc([N-]C(=O)c2ccc(-c3nc4ccccc4s3)s2)s1	ZINC000021288250	570929543	/nfs/dbraw/zinc/92/95/43/570929543.db2.gz	AVBIIKGMKBFUCP-UHFFFAOYSA-N	-1	3	372.500	4.691	50	0		FJAAHM
CCc1ccc(NC(=O)c2cc(-c3cc(Cl)c(C)cc3[O-])[nH]n2)cc1	ZINC000072238554	570994148	/nfs/dbraw/zinc/99/41/48/570994148.db2.gz	BLVVJFKSRYNSGD-UHFFFAOYSA-N	-1	3	355.825	4.559	50	0		FJAAHM
Cc1c2cc(Cl)ccc2oc1C(=O)[N-]c1nonc1-c1ccc(F)cc1	ZINC000027664726	571018393	/nfs/dbraw/zinc/01/83/93/571018393.db2.gz	XVXQVMVFQBJFBT-UHFFFAOYSA-N	-1	3	371.755	4.836	50	0		FJAAHM
O=c1[n-]c(-c2nccs2)nc2ccc(-c3cccc(C(F)(F)F)c3)cc12	ZINC000225746723	571061620	/nfs/dbraw/zinc/06/16/20/571061620.db2.gz	CHOOZGLVHUVRJE-UHFFFAOYSA-N	-1	3	373.359	4.732	50	0		FJAAHM
COc1ccc(/C=C\c2nc(-c3ccccc3[O-])n(-c3ccccc3)n2)cc1	ZINC000038167566	571085034	/nfs/dbraw/zinc/08/50/34/571085034.db2.gz	RZHQXFXLIKOEAO-SSZFMOIBSA-N	-1	3	369.424	4.819	50	0		FJAAHM
C[C@@H](c1nc(=O)c2c(-c3ccccc3)csc2[n-]1)N1CCc2ccccc21	ZINC000009157539	571099561	/nfs/dbraw/zinc/09/95/61/571099561.db2.gz	YSJVNMHEINBUTM-AWEZNQCLSA-N	-1	3	373.481	4.775	50	0		FJAAHM
[O-]c1ccc(Br)cc1-c1nc2ccccn2c1NC1CCCC1	ZINC000004597537	571100942	/nfs/dbraw/zinc/10/09/42/571100942.db2.gz	XHDBGWCXSRTWFZ-UHFFFAOYSA-N	-1	3	372.266	4.824	50	0		FJAAHM
COC(=O)c1sc2ccccc2c1[N-]C(=O)c1nc2ccccc2s1	ZINC000006440938	571193061	/nfs/dbraw/zinc/19/30/61/571193061.db2.gz	NVLWJPFGSHNPDR-UHFFFAOYSA-N	-1	3	368.439	4.550	50	0		FJAAHM
O=C1S/C(=C/c2cc(Cl)ccc2[O-])C(=O)N1c1ccc(Cl)cc1	ZINC000033293803	571230671	/nfs/dbraw/zinc/23/06/71/571230671.db2.gz	UIRYFFPVPUCBPP-RIYZIHGNSA-N	-1	3	366.225	4.940	50	0		FJAAHM
Cc1cc(C)c([N-]S(=O)(=O)c2ccc3[nH]c4c(c3c2)CCCC4)c(C)c1	ZINC000006929850	571254897	/nfs/dbraw/zinc/25/48/97/571254897.db2.gz	NPDRRNJHSIUDGO-UHFFFAOYSA-N	-1	3	368.502	4.773	50	0		FJAAHM
[O-]c1ccccc1C1=N[C@@H](c2ccccc2Cl)N[C@@H](c2cccnc2)C1	ZINC000058015069	571346934	/nfs/dbraw/zinc/34/69/34/571346934.db2.gz	HOJMUUVHDWJVAJ-NQIIRXRSSA-N	-1	3	363.848	4.663	50	0		FJAAHM
O=C([N-]c1nnc(-c2ccccc2)o1)c1sc2ccccc2c1Cl	ZINC000004276178	571357584	/nfs/dbraw/zinc/35/75/84/571357584.db2.gz	VBNAKOSQLDCJGK-UHFFFAOYSA-N	-1	3	355.806	4.857	50	0		FJAAHM
Cc1c2cc(Br)cc(Cl)c2oc(=O)c1-c1ccc([O-])cc1	ZINC000002581721	204045333	/nfs/dbraw/zinc/04/53/33/204045333.db2.gz	PZOHXPHPZJLKIN-UHFFFAOYSA-N	-1	3	365.610	4.890	50	0		FJAAHM
CCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cc2)cc1	ZINC000002840517	204061052	/nfs/dbraw/zinc/06/10/52/204061052.db2.gz	HZENMULSNUEQBN-UHFFFAOYSA-N	-1	3	353.443	4.553	50	0		FJAAHM
O=C1c2ccc(C34CC5CC(CC(C5)C3)C4)cc2C(=O)N1c1ccc([O-])cc1	ZINC000004952105	204180150	/nfs/dbraw/zinc/18/01/50/204180150.db2.gz	DQOCUEPBZAPHOY-UHFFFAOYSA-N	-1	3	373.452	4.661	50	0		FJAAHM
CCOc1ccc(-c2n[nH]c(C)c2-c2ccc(Br)cc2)c([O-])c1	ZINC000005248539	204199268	/nfs/dbraw/zinc/19/92/68/204199268.db2.gz	FMGIPMRSROEOBZ-UHFFFAOYSA-N	-1	3	373.250	4.919	50	0		FJAAHM
O=C(CSc1n[n-]c(-c2cccs2)n1)c1ccc2ccccc2c1	ZINC000008314313	204325788	/nfs/dbraw/zinc/32/57/88/204325788.db2.gz	LZECOOAYRCXTNA-UHFFFAOYSA-N	-1	3	351.456	4.661	50	0		FJAAHM
O=C([N-]OCc1ccccc1)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1	ZINC000058390731	212007927	/nfs/dbraw/zinc/00/79/27/212007927.db2.gz	RYZCPTBKZVBOMN-IRXDYDNUSA-N	-1	3	364.470	4.594	50	0		FJAAHM
O=C([N-]OCc1ccccc1)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1	ZINC000058390729	212007234	/nfs/dbraw/zinc/00/72/34/212007234.db2.gz	RYZCPTBKZVBOMN-SJORKVTESA-N	-1	3	364.470	4.594	50	0		FJAAHM
Cc1ccc(-c2csc3[n-]c(CN4CCCC[C@H]4C)nc(=O)c23)c(C)c1	ZINC000036204085	205006670	/nfs/dbraw/zinc/00/66/70/205006670.db2.gz	HEAVKRWOYUNKEB-OAHLLOKOSA-N	-1	3	367.518	4.643	50	0		FJAAHM
O=c1[n-]c(CN(Cc2ccco2)C2CCCC2)nc2c3ccccc3oc21	ZINC000053139772	206233600	/nfs/dbraw/zinc/23/36/00/206233600.db2.gz	BNYYAFNQQIRPGK-UHFFFAOYSA-N	-1	3	363.417	4.619	50	0		FJAAHM
Cc1c(CN[C@H](C)c2ccccc2)c(C(=O)[O-])c(C)n1-c1ccc(C)cc1	ZINC000021025196	211304048	/nfs/dbraw/zinc/30/40/48/211304048.db2.gz	LVSNPDHYLZFTMJ-MRXNPFEDSA-N	-1	3	362.473	4.952	50	0		FJAAHM
CCN(Cc1ccc(Cl)s1)Cc1cc(=O)oc2c(C)c([O-])ccc12	ZINC000018936062	211200777	/nfs/dbraw/zinc/20/07/77/211200777.db2.gz	HJECJKVMQYTXGA-UHFFFAOYSA-N	-1	3	363.866	4.544	50	0		FJAAHM
O=S(=O)([N-][C@@H]1CCSc2ccccc21)c1ccc(Cl)c(Cl)c1	ZINC000015517279	211131333	/nfs/dbraw/zinc/13/13/33/211131333.db2.gz	CUUHQCJIMMGGQK-CQSZACIVSA-N	-1	3	374.314	4.509	50	0		FJAAHM
Cc1c2cc(Cl)ccc2oc1C(=O)[N-]c1nonc1-c1cccs1	ZINC000013624912	211043811	/nfs/dbraw/zinc/04/38/11/211043811.db2.gz	GMWVKZARZSMKCN-UHFFFAOYSA-N	-1	3	359.794	4.758	50	0		FJAAHM
O=C([N-]c1nnc(C2CC2)s1)c1cccnc1Oc1ccc(Cl)cc1	ZINC000001033919	210305175	/nfs/dbraw/zinc/30/51/75/210305175.db2.gz	DNCOWNJASDDMJY-UHFFFAOYSA-N	-1	3	372.837	4.509	50	0		FJAAHM
O=C([N-]c1nnc(-c2ccc(Cl)cc2Cl)s1)c1cccs1	ZINC000000829420	210277181	/nfs/dbraw/zinc/27/71/81/210277181.db2.gz	GZJGSJQIPWKICO-UHFFFAOYSA-N	-1	3	356.259	4.826	50	0		FJAAHM
COc1cc(/C=C\c2ccc3ccccc3n2)cc(Br)c1[O-]	ZINC000096765945	222128873	/nfs/dbraw/zinc/12/88/73/222128873.db2.gz	IIPZFABYDYKOGW-VURMDHGXSA-N	-1	3	356.219	4.882	50	0		FJAAHM
CCCN(C[C@@H]1CCCO1)C(=O)c1ccc(-c2cc(Cl)ccc2[O-])cc1	ZINC000426397986	263577104	/nfs/dbraw/zinc/57/71/04/263577104.db2.gz	AXTKRMDRHPJQPC-SFHVURJKSA-N	-1	3	373.880	4.744	50	0		FJAAHM
CCc1ccc(C(=O)[C@H](C)Sc2nc3cc(Cl)ccc3c(=O)[n-]2)cc1	ZINC000083823529	523898316	/nfs/dbraw/zinc/89/83/16/523898316.db2.gz	IURMNIGAFCPULN-NSHDSACASA-N	-1	3	372.877	4.915	50	0		FJAAHM
CCc1nnc([N-]C(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)s1	ZINC000000645027	570443366	/nfs/dbraw/zinc/44/33/66/570443366.db2.gz	VASRMVKSMONGSP-UHFFFAOYSA-N	-1	3	367.352	4.632	50	0		FJAAHM
O=C1S/C(=C\c2cc(Cl)ccc2[O-])C(=O)N1c1ccc(Cl)cc1	ZINC000001011838	570471093	/nfs/dbraw/zinc/47/10/93/570471093.db2.gz	UIRYFFPVPUCBPP-ZSOIEALJSA-N	-1	3	366.225	4.940	50	0		FJAAHM
Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(F)cc3)cc2)cc1	ZINC000001027108	570472460	/nfs/dbraw/zinc/47/24/60/570472460.db2.gz	KBEMOBCGVSALRS-UHFFFAOYSA-N	-1	3	357.406	4.727	50	0		FJAAHM
CCc1nnc([N-]C(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)s1	ZINC000001173904	570487704	/nfs/dbraw/zinc/48/77/04/570487704.db2.gz	NYDMZNJGFPDQCR-UHFFFAOYSA-N	-1	3	368.245	4.920	50	0		FJAAHM
COc1ccccc1C(=O)Nc1cc(C)c([O-])c(-c2nc3ccccc3o2)c1	ZINC000004736803	570603608	/nfs/dbraw/zinc/60/36/08/570603608.db2.gz	PAAJHYLNKPYWEL-UHFFFAOYSA-N	-1	3	374.396	4.770	50	0		FJAAHM
[O-]c1cc(O)ccc1-c1n[nH]c(C(F)(F)F)c1-c1ccc(Cl)cc1	ZINC000005189988	570631067	/nfs/dbraw/zinc/63/10/67/570631067.db2.gz	JEEQHUUJEKDZHQ-UHFFFAOYSA-N	-1	3	354.715	4.827	50	0		FJAAHM
Cc1sc2[n-]c(CNc3ccc(C)cc3)nc(=O)c2c1-c1ccccc1	ZINC000008715526	570685720	/nfs/dbraw/zinc/68/57/20/570685720.db2.gz	VWURWODECFRKHB-UHFFFAOYSA-N	-1	3	361.470	4.881	50	0		FJAAHM
O=C1C[C@H](c2cccs2)CC2=Nc3nonc3[N-][C@@H](c3ccccc3)C12	ZINC000102745948	570837257	/nfs/dbraw/zinc/83/72/57/570837257.db2.gz	DTHBEMAZLKBDEV-PXAZEXFGSA-N	-1	3	364.430	4.760	50	0		FJAAHM
Cc1cc(C)cc(O[C@H](C)C(=O)[N-]c2cc(-c3ccc(F)c(F)c3)no2)c1	ZINC000027663780	571017727	/nfs/dbraw/zinc/01/77/27/571017727.db2.gz	HVJCOCYPBXPYAG-CYBMUJFWSA-N	-1	3	372.371	4.643	50	0		FJAAHM
CC(C)c1ccc(OCC(=O)[N-]c2cc(-c3ccc(F)cc3)no2)cc1	ZINC000027990029	571025079	/nfs/dbraw/zinc/02/50/79/571025079.db2.gz	VPSHSOJJGNMKCJ-UHFFFAOYSA-N	-1	3	354.381	4.622	50	0		FJAAHM
CC(C)(C)c1ccc(OCC(=O)[N-]c2cc(-c3ccc(F)cc3)no2)cc1	ZINC000027993994	571025771	/nfs/dbraw/zinc/02/57/71/571025771.db2.gz	GBQAARTVPIFATA-UHFFFAOYSA-N	-1	3	368.408	4.796	50	0		FJAAHM
COc1ccc(-c2n[nH]c(C)c2-c2ccc(Br)cc2)c([O-])c1	ZINC000008771047	571061178	/nfs/dbraw/zinc/06/11/78/571061178.db2.gz	ORYPNMZFPZYJQM-UHFFFAOYSA-N	-1	3	359.223	4.529	50	0		FJAAHM
Cc1cccc(-c2nnc([N-]C(=O)c3sc4ccccc4c3Cl)o2)n1	ZINC000070635592	571114137	/nfs/dbraw/zinc/11/41/37/571114137.db2.gz	PMCOBKDBOGILNS-UHFFFAOYSA-N	-1	3	370.821	4.560	50	0		FJAAHM
O=S(=O)([N-]c1cc(C(F)(F)F)ccc1Cl)c1ccc(Cl)cc1	ZINC000001738558	571132159	/nfs/dbraw/zinc/13/21/59/571132159.db2.gz	KZSIKDZBNOIEGV-UHFFFAOYSA-N	-1	3	370.179	4.813	50	0		FJAAHM
Cc1ccc(-c2csc3[n-]c(CN4CCCC[C@@H]4C)nc(=O)c23)cc1C	ZINC000036203717	571244995	/nfs/dbraw/zinc/24/49/95/571244995.db2.gz	JNBZKAJZDYDNAM-HNNXBMFYSA-N	-1	3	367.518	4.643	50	0		FJAAHM
CCn1c2cc(C)ccc2c(CNCc2cccc(Cl)c2)c1C(=O)[O-]	ZINC000006795176	571246833	/nfs/dbraw/zinc/24/68/33/571246833.db2.gz	OBYYLHOOEULAHD-UHFFFAOYSA-N	-1	3	356.853	4.611	50	0		FJAAHM
O=C(CSc1nnc([N-]c2ccccc2F)s1)c1ccc(F)cc1	ZINC000006884640	571253037	/nfs/dbraw/zinc/25/30/37/571253037.db2.gz	ZBIKYHDLGGULDW-UHFFFAOYSA-N	-1	3	363.414	4.535	50	0		FJAAHM
C[C@@H]1Cc2ccccc2N1Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1	ZINC000007285383	571263991	/nfs/dbraw/zinc/26/39/91/571263991.db2.gz	UXZCIQZKQYTYME-CQSZACIVSA-N	-1	3	373.481	4.603	50	0		FJAAHM
COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1C(C)C	ZINC000007361067	571264778	/nfs/dbraw/zinc/26/47/78/571264778.db2.gz	RADWLSVXYYTPNW-UHFFFAOYSA-N	-1	3	373.396	4.638	50	0		FJAAHM
CCCCCCc1cc(C(=O)Cc2nc3ccccc3[nH]2)c(O)cc1[O-]	ZINC000011867607	571322118	/nfs/dbraw/zinc/32/21/18/571322118.db2.gz	KZWRHVFPWMKZCD-UHFFFAOYSA-N	-1	3	352.434	4.522	50	0		FJAAHM
O=c1[n-]n(C2CCCCCCC2)c2c1[C@@H](c1cccnc1)SCC(=O)N2	ZINC000079493500	571327630	/nfs/dbraw/zinc/32/76/30/571327630.db2.gz	CYAHHRJVOMQKFX-QGZVFWFLSA-N	-1	3	372.494	4.693	50	0		FJAAHM
C[C@@H]1CCCCN1Cc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[n-]1	ZINC000003583396	571351289	/nfs/dbraw/zinc/35/12/89/571351289.db2.gz	BADZAPVVFQCQRO-GFCCVEGCSA-N	-1	3	373.909	4.679	50	0		FJAAHM
[O-]c1c(-c2nc3c4c5c(sc4ncn3n2)CCCC5)ccc2ccccc21	ZINC000000659308	210257697	/nfs/dbraw/zinc/25/76/97/210257697.db2.gz	OBEDRCNNSKJUGW-UHFFFAOYSA-N	-1	3	372.453	4.744	50	0		FJAAHM
COc1ccc(-c2onc(C)c2-c2ccc(Br)cc2)c([O-])c1	ZINC000006719600	210230763	/nfs/dbraw/zinc/23/07/63/210230763.db2.gz	NFMSLGFPTKACEA-UHFFFAOYSA-N	-1	3	360.207	4.794	50	0		FJAAHM
O=S(=O)([N-]c1ccc(Oc2ccccc2Cl)cc1)c1ccccc1	ZINC000000992688	203970231	/nfs/dbraw/zinc/97/02/31/203970231.db2.gz	WLXVIOKHVSFGOC-UHFFFAOYSA-N	-1	3	359.834	4.933	50	0		FJAAHM
CC[C@H](Oc1ccccc1F)C(=O)[N-]c1cc(-c2ccc(C)cc2)no1	ZINC000005451533	204209941	/nfs/dbraw/zinc/20/99/41/204209941.db2.gz	LGEPDZOLOMRDIO-KRWDZBQOSA-N	-1	3	354.381	4.585	50	0		FJAAHM
CCCCC(=O)NC([N-]c1ccccc1C)(C(F)(F)F)C(F)(F)F	ZINC000005645555	204219989	/nfs/dbraw/zinc/21/99/89/204219989.db2.gz	HSBULBQXHOJVMR-UHFFFAOYSA-N	-1	3	356.310	4.534	50	0		FJAAHM
COc1cccc(C(=O)Nc2cc(C)c([O-])c(-c3nc4ccccc4o3)c2)c1	ZINC000004988512	204182891	/nfs/dbraw/zinc/18/28/91/204182891.db2.gz	XEHZVTFPQGKYTI-UHFFFAOYSA-N	-1	3	374.396	4.770	50	0		FJAAHM
O=C([N-]c1nonc1-c1cccs1)c1sc2ccccc2c1Cl	ZINC000006755521	204266964	/nfs/dbraw/zinc/26/69/64/204266964.db2.gz	LMRZKEPUVAHYJD-UHFFFAOYSA-N	-1	3	361.835	4.919	50	0		FJAAHM
Cc1sc2[n-]c(CNc3cccc(C)c3)nc(=O)c2c1-c1ccccc1	ZINC000008715527	204341117	/nfs/dbraw/zinc/34/11/17/204341117.db2.gz	TYCCDBHBNRQKOZ-UHFFFAOYSA-N	-1	3	361.470	4.881	50	0		FJAAHM
Cc1c2ccccc2oc1-c1nc(=O)c2c3c(sc2[n-]1)C[C@@H](C)CC3	ZINC000013101872	204522174	/nfs/dbraw/zinc/52/21/74/204522174.db2.gz	QBBWMPWSORAEJM-JTQLQIEISA-N	-1	3	350.443	4.831	50	0		FJAAHM
Cc1cc(OCC(=O)[N-]c2cc(-c3ccccc3)no2)cc(C)c1Cl	ZINC000027664319	204866493	/nfs/dbraw/zinc/86/64/93/204866493.db2.gz	LZGIRQXESUNRCT-UHFFFAOYSA-N	-1	3	356.809	4.629	50	0		FJAAHM
Cc1ccccc1COc1cccc(CNCc2ccc(C(=O)[O-])cc2)c1	ZINC000040738315	205079371	/nfs/dbraw/zinc/07/93/71/205079371.db2.gz	SUPADWXNVOSZBE-UHFFFAOYSA-N	-1	3	361.441	4.562	50	0		FJAAHM
CN(Cc1nc2c3ccccc3oc2c(=O)[n-]1)[C@H]1CCCc2ccccc21	ZINC000023701948	211393108	/nfs/dbraw/zinc/39/31/08/211393108.db2.gz	GFEGGFNSLXEIBM-KRWDZBQOSA-N	-1	3	359.429	4.591	50	0		FJAAHM
Cc1ccc(-c2nsc([N-]C(=O)c3oc4ccccc4c3C)n2)s1	ZINC000021659727	211318776	/nfs/dbraw/zinc/31/87/76/211318776.db2.gz	QISAOMIJTAFVIK-UHFFFAOYSA-N	-1	3	355.444	4.882	50	0		FJAAHM
CCc1c([O-])c(-c2ccccc2)c(=O)n(-c2ccccn2)c1-c1ccccc1	ZINC000020414615	211279014	/nfs/dbraw/zinc/27/90/14/211279014.db2.gz	VNXKXUBXRHEWHN-UHFFFAOYSA-N	-1	3	368.436	4.835	50	0		FJAAHM
Cc1ccc(NC(=O)c2cc(-c3ccccn3)nc3ccccc32)c([O-])c1	ZINC000014684017	211097830	/nfs/dbraw/zinc/09/78/30/211097830.db2.gz	JLCKKNSDZCBZLH-UHFFFAOYSA-N	-1	3	355.397	4.563	50	0		FJAAHM
O=S(=O)([N-][C@@H]1CCSc2ccccc21)c1c(Cl)cccc1Cl	ZINC000012858547	211001114	/nfs/dbraw/zinc/00/11/14/211001114.db2.gz	VGXPIMOCRIYSJL-CYBMUJFWSA-N	-1	3	374.314	4.509	50	0		FJAAHM
CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1ccc([O-])cc1	ZINC000000936524	210292016	/nfs/dbraw/zinc/29/20/16/210292016.db2.gz	WPQTUNSZCJWODB-UHFFFAOYSA-N	-1	3	367.426	4.550	50	0		FJAAHM
O=C([N-]c1nnc(Cc2ccc(Cl)cc2Cl)s1)c1cccs1	ZINC000000841327	210279103	/nfs/dbraw/zinc/27/91/03/210279103.db2.gz	HRXDTPGLUZFYIC-UHFFFAOYSA-N	-1	3	370.286	4.750	50	0		FJAAHM
O=C([O-])c1ccc(COc2ccc(CN3CC[C@H]3c3ccccc3)cc2)o1	ZINC000097394299	222179489	/nfs/dbraw/zinc/17/94/89/222179489.db2.gz	SVMNWRFAWRXQJP-FQEVSTJZSA-N	-1	3	363.413	4.504	50	0		FJAAHM
O=S(=O)([N-]c1ccccc1F)c1ccc(-c2ccc(Cl)cc2)cc1	ZINC000001135576	570483310	/nfs/dbraw/zinc/48/33/10/570483310.db2.gz	LYVOBWYPEITUAG-UHFFFAOYSA-N	-1	3	361.825	4.947	50	0		FJAAHM
COc1ccc(C(=O)c2oc3ccccc3c2[N-]C(=O)c2ccco2)cc1	ZINC000001139161	570483619	/nfs/dbraw/zinc/48/36/19/570483619.db2.gz	FPBDTBPJOJAGGT-UHFFFAOYSA-N	-1	3	361.353	4.518	50	0		FJAAHM
Cc1cc(NC(=O)c2ccccc2F)cc(-c2nc3ccccc3o2)c1[O-]	ZINC000004988520	570571936	/nfs/dbraw/zinc/57/19/36/570571936.db2.gz	QKNPFHWFLUCXKQ-UHFFFAOYSA-N	-1	3	362.360	4.900	50	0		FJAAHM
Cc1c(O)ccc(-c2n[nH]c(C(F)(F)F)c2Oc2ccccc2)c1[O-]	ZINC000004147123	570578629	/nfs/dbraw/zinc/57/86/29/570578629.db2.gz	FJKWWFQJFBYJRC-UHFFFAOYSA-N	-1	3	350.296	4.607	50	0		FJAAHM
Cc1c2ccccc2oc1C(=O)[N-]c1nc(-c2ccc(F)cc2)ns1	ZINC000011913912	570600292	/nfs/dbraw/zinc/60/02/92/570600292.db2.gz	WPOMYHMZOXJJAH-UHFFFAOYSA-N	-1	3	353.378	4.651	50	0		FJAAHM
COc1cc(/C=C/c2ccc3cccc(O)c3n2)cc(Br)c1[O-]	ZINC000004755414	570605771	/nfs/dbraw/zinc/60/57/71/570605771.db2.gz	CUMNZIKJHKZJPM-FNORWQNLSA-N	-1	3	372.218	4.588	50	0		FJAAHM
[O-]c1ccc(Cl)c([C@@H]2Oc3ccccc3[C@H]3CC(c4ccco4)=NN32)c1	ZINC000005739520	570634569	/nfs/dbraw/zinc/63/45/69/570634569.db2.gz	QOFFCTHEVIXSEA-XLIONFOSSA-N	-1	3	366.804	4.881	50	0		FJAAHM
CCC[C@@H](C)n1[n-]c(=O)c2c1NC(=O)CS[C@@H]2c1ccc(Cl)cc1	ZINC000005643074	570683697	/nfs/dbraw/zinc/68/36/97/570683697.db2.gz	VCLZNSKKBGUXBB-MEBBXXQBSA-N	-1	3	365.886	4.615	50	0		FJAAHM
CCC[C@@H](C)n1[n-]c(=O)c2c1NC(=O)CS[C@H]2c1ccc(Cl)cc1	ZINC000005643053	570683832	/nfs/dbraw/zinc/68/38/32/570683832.db2.gz	VCLZNSKKBGUXBB-BMIGLBTASA-N	-1	3	365.886	4.615	50	0		FJAAHM
Cc1nc2c(cc(OCC(=O)Nc3ccccc3[O-])c3ccsc32)s1	ZINC000043115632	570696290	/nfs/dbraw/zinc/69/62/90/570696290.db2.gz	UJICKPLCHULLDQ-UHFFFAOYSA-N	-1	3	370.455	4.543	50	0		FJAAHM
Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1ccccc1[O-]	ZINC000032855791	570822159	/nfs/dbraw/zinc/82/21/59/570822159.db2.gz	KFPNFZKVKSAOGW-UHFFFAOYSA-N	-1	3	369.424	4.806	50	0		FJAAHM
[O-]c1cc(O)ccc1-c1csc(Nc2cccc(C(F)(F)F)c2)n1	ZINC000021908660	570935677	/nfs/dbraw/zinc/93/56/77/570935677.db2.gz	OTARTIYDWHUCLK-UHFFFAOYSA-N	-1	3	352.337	4.984	50	0		FJAAHM
Cc1c(C(=O)Nc2cc(C(C)(C)C)ccc2[O-])oc2c1C(=O)CC(C)(C)C2	ZINC000048252845	570940054	/nfs/dbraw/zinc/94/00/54/570940054.db2.gz	FZDFXVBNIQCRKY-UHFFFAOYSA-N	-1	3	369.461	4.999	50	0		FJAAHM
[O-]c1ccc(Cl)c([C@H]2Oc3ccccc3[C@@H]3CC(c4ccco4)=NN32)c1	ZINC000025559765	570997289	/nfs/dbraw/zinc/99/72/89/570997289.db2.gz	QOFFCTHEVIXSEA-FXAWDEMLSA-N	-1	3	366.804	4.881	50	0		FJAAHM
O=C([N-]c1nc2ccc(Cl)cc2s1)c1cc(-c2cccs2)on1	ZINC000027990549	571025140	/nfs/dbraw/zinc/02/51/40/571025140.db2.gz	IJEFKFODWNAEPU-UHFFFAOYSA-N	-1	3	361.835	4.919	50	0		FJAAHM
Cc1c2cc(F)ccc2oc1C(=O)[N-]c1nonc1-c1ccc(Cl)cc1	ZINC000027990800	571025402	/nfs/dbraw/zinc/02/54/02/571025402.db2.gz	HGIAIAZUVRCORO-UHFFFAOYSA-N	-1	3	371.755	4.836	50	0		FJAAHM
Cc1c2cc(F)ccc2oc1C(=O)[N-]c1nc(-c2ccccc2)ns1	ZINC000028286896	571028764	/nfs/dbraw/zinc/02/87/64/571028764.db2.gz	VNPMSEZDNBPAQJ-UHFFFAOYSA-N	-1	3	353.378	4.651	50	0		FJAAHM
COc1ccccc1-c1cc(C(=O)[N-]c2nc3c(cccc3C)s2)no1	ZINC000030035188	571045462	/nfs/dbraw/zinc/04/54/62/571045462.db2.gz	URDMWKMIRWWHMI-UHFFFAOYSA-N	-1	3	365.414	4.521	50	0		FJAAHM
Cc1ccc(-c2cc([N-]C(=O)COc3ccc(Cl)c(C)c3)on2)cc1	ZINC000008612401	571052789	/nfs/dbraw/zinc/05/27/89/571052789.db2.gz	SEPBKYXYQZDHCM-UHFFFAOYSA-N	-1	3	356.809	4.629	50	0		FJAAHM
Cc1cc([N-]C(=O)[C@@H](C)Nc2ccc(Oc3ccccc3Cl)cc2)on1	ZINC000011085083	571057304	/nfs/dbraw/zinc/05/73/04/571057304.db2.gz	VGGNEGKWAKCYIB-CYBMUJFWSA-N	-1	3	371.824	4.868	50	0		FJAAHM
O=c1oc2ccc(Cc3ccccc3)cc2cc1-c1nc2ccccc2[n-]1	ZINC000006161323	571138923	/nfs/dbraw/zinc/13/89/23/571138923.db2.gz	PBILZEPOEWPPAR-UHFFFAOYSA-N	-1	3	352.393	4.927	50	0		FJAAHM
O=S(=O)([N-]c1ccc(C(F)(F)F)cc1Cl)c1ccc(Cl)cc1	ZINC000001030642	571157210	/nfs/dbraw/zinc/15/72/10/571157210.db2.gz	QQHGBOTVPDXYJQ-UHFFFAOYSA-N	-1	3	370.179	4.813	50	0		FJAAHM
CC(C)C[C@@H]1CC(=O)Oc2cc([O-])c3c(=O)c(-c4ccccc4)coc3c21	ZINC000524729372	571190687	/nfs/dbraw/zinc/19/06/87/571190687.db2.gz	QMBBQDBTDPTAOG-CQSZACIVSA-N	-1	3	364.397	4.604	50	0		FJAAHM
O=C(Nc1cccc2ccccc21)c1cc(-c2cc(Cl)ccc2[O-])[nH]n1	ZINC000072427471	571202226	/nfs/dbraw/zinc/20/22/26/571202226.db2.gz	NHFLXNAAEXTIDC-UHFFFAOYSA-N	-1	3	363.804	4.841	50	0		FJAAHM
O=C(Nc1cccc2ccccc21)c1cc(-c2cc(Cl)ccc2[O-])n[nH]1	ZINC000072427471	571202230	/nfs/dbraw/zinc/20/22/30/571202230.db2.gz	NHFLXNAAEXTIDC-UHFFFAOYSA-N	-1	3	363.804	4.841	50	0		FJAAHM
O=c1[n-]n(C2CCCCCCC2)c2c1[C@@H](c1ccccc1)SCC(=O)N2	ZINC000095473013	571330740	/nfs/dbraw/zinc/33/07/40/571330740.db2.gz	YXYGIYNXKWSDQR-GOSISDBHSA-N	-1	3	371.506	4.886	50	0		FJAAHM
Cc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c(Cl)c1	ZINC000095950227	571332762	/nfs/dbraw/zinc/33/27/62/571332762.db2.gz	XVWFSHHUXKFHFM-UHFFFAOYSA-N	-1	3	350.654	4.756	50	0		FJAAHM
C[C@@H](c1nc(=O)c2c(-c3ccccc3)csc2[n-]1)N1CCCCCC1	ZINC000008134403	571359386	/nfs/dbraw/zinc/35/93/86/571359386.db2.gz	WZKIQJPBYVYBCM-AWEZNQCLSA-N	-1	3	353.491	4.589	50	0		FJAAHM
CCOC(=O)NC([N-]c1ccc(C(C)C)cc1)(C(F)(F)F)C(F)(F)F	ZINC000002937633	204068876	/nfs/dbraw/zinc/06/88/76/204068876.db2.gz	HPNLUVRMXMKZSQ-UHFFFAOYSA-N	-1	3	372.309	4.789	50	0		FJAAHM
COc1cc(/C=C/c2ccc3ccccc3n2)cc(Br)c1[O-]	ZINC000005127928	204193757	/nfs/dbraw/zinc/19/37/57/204193757.db2.gz	IIPZFABYDYKOGW-SOFGYWHQSA-N	-1	3	356.219	4.882	50	0		FJAAHM
O=C(Nc1cc(C(=O)Nc2ccccc2[O-])ccc1Cl)c1cccs1	ZINC000008708247	204340257	/nfs/dbraw/zinc/34/02/57/204340257.db2.gz	KYFQTEKMEXJRBI-UHFFFAOYSA-N	-1	3	372.833	4.612	50	0		FJAAHM
O=C([N-]c1nnc(SCCCc2ccccc2)s1)c1cccs1	ZINC000009095390	204353939	/nfs/dbraw/zinc/35/39/39/204353939.db2.gz	PUMQSRPLYVMMGQ-UHFFFAOYSA-N	-1	3	361.517	4.577	50	0		FJAAHM
CC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)Nc3ccccc3[O-])c12	ZINC000058378140	212008002	/nfs/dbraw/zinc/00/80/02/212008002.db2.gz	YVBAEBNQTQRPOA-UHFFFAOYSA-N	-1	3	365.433	4.647	50	0		FJAAHM
CCCc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2C)cc1	ZINC000014256594	220121239	/nfs/dbraw/zinc/12/12/39/220121239.db2.gz	POOVFGHJYLHXJL-UHFFFAOYSA-N	-1	3	368.296	4.511	50	0		FJAAHM
Cc1noc(C)c1-c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c1	ZINC000064837535	205305563	/nfs/dbraw/zinc/30/55/63/205305563.db2.gz	QKVAXXYXLZZKKB-UHFFFAOYSA-N	-1	3	370.474	4.685	50	0		FJAAHM
[O-]c1ccc(Cl)cc1NC(=S)Nc1ccc(Br)cc1	ZINC000017073859	211176998	/nfs/dbraw/zinc/17/69/98/211176998.db2.gz	XHKVDHNYUFJUOB-UHFFFAOYSA-N	-1	3	357.660	4.617	50	0		FJAAHM
COC(=O)[N-]C(=S)Nc1ccc(Oc2ccc(Cl)cc2Cl)cc1	ZINC000003149673	210452716	/nfs/dbraw/zinc/45/27/16/210452716.db2.gz	VBIGDHAFKLPIEZ-UHFFFAOYSA-N	-1	3	371.245	4.839	50	0		FJAAHM
CCOC(=O)c1c(C)c(C)sc1[N-]c1nc2ccccc2nc1Cl	ZINC000002193993	210383214	/nfs/dbraw/zinc/38/32/14/210383214.db2.gz	LUERUDORCQEBHN-UHFFFAOYSA-N	-1	3	361.854	4.882	50	0		FJAAHM
COc1cccc(C(=O)c2oc3ccccc3c2[N-]C(=O)c2ccco2)c1	ZINC000001052601	210309505	/nfs/dbraw/zinc/30/95/05/210309505.db2.gz	NUSXBGRPLPWLHO-UHFFFAOYSA-N	-1	3	361.353	4.518	50	0		FJAAHM
CCOC(=O)[N-]C(=S)Nc1ccc(Oc2ccc(Cl)cc2)cc1	ZINC000001045707	210308734	/nfs/dbraw/zinc/30/87/34/210308734.db2.gz	NLWTYOIOWNZLPQ-UHFFFAOYSA-N	-1	3	350.827	4.575	50	0		FJAAHM
Cc1ccc(C)c(Sc2ncccc2C(=O)Nc2ccccc2[O-])c1	ZINC000022508160	220388732	/nfs/dbraw/zinc/38/87/32/220388732.db2.gz	MIMMSABNCVNTHS-UHFFFAOYSA-N	-1	3	350.443	4.808	50	0		FJAAHM
COc1ccccc1[C@H]1CC(=O)Nc2c1c(=O)[n-]n2C1CCCCCCC1	ZINC000071280333	221337218	/nfs/dbraw/zinc/33/72/18/221337218.db2.gz	BQPJGIHYLTZJLE-MRXNPFEDSA-N	-1	3	369.465	4.594	50	0		FJAAHM
CC1=Nc2c(c(=O)[n-]n2[C@H]2CCOC(C)(C)C2)[C@@H](C2CCCCC2)S1	ZINC000096117813	222033036	/nfs/dbraw/zinc/03/30/36/222033036.db2.gz	DIRCOVAOEBNQQC-GOEBONIOSA-N	-1	3	363.527	4.725	50	0		FJAAHM
O=C1C[C@@H](c2cccs2)CC2=Nc3nonc3[N-][C@H](c3ccccc3)C12	ZINC000102745952	222306533	/nfs/dbraw/zinc/30/65/33/222306533.db2.gz	DTHBEMAZLKBDEV-YVEFUNNKSA-N	-1	3	364.430	4.760	50	0		FJAAHM
O=C([N-]c1nnc(SCc2cccs2)s1)c1cc2ccccc2o1	ZINC000008389740	568310112	/nfs/dbraw/zinc/31/01/12/568310112.db2.gz	HYPVIBGBUQKGHM-UHFFFAOYSA-N	-1	3	373.484	4.890	50	0		FJAAHM
Cc1sc([N-]C(=O)C(F)(F)F)c(C(=O)OC(C)C)c1-c1ccccc1	ZINC000000676000	570447446	/nfs/dbraw/zinc/44/74/46/570447446.db2.gz	FFMBIRSYLBSJKJ-UHFFFAOYSA-N	-1	3	371.380	4.790	50	0		FJAAHM
O=c1[n-]c(-c2ccc(-c3ccc(F)cc3)o2)nc2sc3c(c21)CCCC3	ZINC000001199069	570491503	/nfs/dbraw/zinc/49/15/03/570491503.db2.gz	NWKVQQHWXLCHGR-UHFFFAOYSA-N	-1	3	366.417	4.930	50	0		FJAAHM
Cc1cc([N-]C(=O)c2c(C)onc2-c2c(Cl)cccc2Cl)no1	ZINC000002577719	570525714	/nfs/dbraw/zinc/52/57/14/570525714.db2.gz	WGOMSKVANVOAJH-UHFFFAOYSA-N	-1	3	352.177	4.506	50	0		FJAAHM
COc1ccc(C(=O)Nc2cc(C)c([O-])c(-c3nc4ccccc4o3)c2)cc1	ZINC000004988475	570571894	/nfs/dbraw/zinc/57/18/94/570571894.db2.gz	DPLDDSBQPJJUBR-UHFFFAOYSA-N	-1	3	374.396	4.770	50	0		FJAAHM
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1n[n-]c(-c2cccs2)n1	ZINC000005017609	570575392	/nfs/dbraw/zinc/57/53/92/570575392.db2.gz	BATNOXOVLRQUJW-LLVKDONJSA-N	-1	3	368.487	4.686	50	0		FJAAHM
COc1ccc(-c2c(C(F)(F)F)noc2-c2ccc(OC)cc2[O-])cc1	ZINC000005389044	570651395	/nfs/dbraw/zinc/65/13/95/570651395.db2.gz	UBXVJVWFAZRFEI-UHFFFAOYSA-N	-1	3	365.307	4.750	50	0		FJAAHM
Cc1sc2ncn3nc(-c4ccccc4[O-])nc3c2c1-c1ccccc1	ZINC000002790106	570672205	/nfs/dbraw/zinc/67/22/05/570672205.db2.gz	UTFOZHXDRPBUJW-UHFFFAOYSA-N	-1	3	358.426	4.687	50	0		FJAAHM
COc1cccc(/C=C/c2nc(-c3ccccc3[O-])n(-c3ccccc3)n2)c1	ZINC000005527405	570679361	/nfs/dbraw/zinc/67/93/61/570679361.db2.gz	QDOBICTYGPRGJO-CCEZHUSRSA-N	-1	3	369.424	4.819	50	0		FJAAHM
O=C([N-]c1nnc(Cc2ccccc2)o1)c1sc2ccccc2c1Cl	ZINC000008919973	570686330	/nfs/dbraw/zinc/68/63/30/570686330.db2.gz	LVNNIHQYQQITIA-UHFFFAOYSA-N	-1	3	369.833	4.781	50	0		FJAAHM
CC(C)c1nnc([N-]C(=O)c2ccc(CSc3ccccc3)o2)s1	ZINC000012292953	570732698	/nfs/dbraw/zinc/73/26/98/570732698.db2.gz	YSGGLUPMBSGGEH-UHFFFAOYSA-N	-1	3	359.476	4.799	50	0		FJAAHM
CCOc1ccc2nc([N-]C(=O)c3cc(-c4ccccc4)on3)sc2c1	ZINC000016708196	570861150	/nfs/dbraw/zinc/86/11/50/570861150.db2.gz	YRYWMRXMILTWLD-UHFFFAOYSA-N	-1	3	365.414	4.602	50	0		FJAAHM
Cc1cc([O-])c(-c2cc(C(=O)Nc3ccc(Cl)cc3)n[nH]2)cc1Cl	ZINC000072238559	570994048	/nfs/dbraw/zinc/99/40/48/570994048.db2.gz	ZJFIEHJPQRKOBK-UHFFFAOYSA-N	-1	3	362.216	4.650	50	0		FJAAHM
Cc1c2cc(C)c(C)cc2oc1C(=O)[N-]c1nonc1-c1cccs1	ZINC000009546925	571113086	/nfs/dbraw/zinc/11/30/86/571113086.db2.gz	QZUOWVAACQGNAR-UHFFFAOYSA-N	-1	3	353.403	4.722	50	0		FJAAHM
COc1cccc([C@H]2SC(C)=Nc3c2c(=O)[n-]n3C2CCCCC2)c1	ZINC000085411884	571113450	/nfs/dbraw/zinc/11/34/50/571113450.db2.gz	WBXBVZZDNHORAW-QGZVFWFLSA-N	-1	3	357.479	4.576	50	0		FJAAHM
O=c1nc(CN2CCCc3ccccc32)[n-]c2scc(-c3ccccc3)c21	ZINC000009635990	571116010	/nfs/dbraw/zinc/11/60/10/571116010.db2.gz	JNZDYUIRRALZPW-UHFFFAOYSA-N	-1	3	373.481	4.604	50	0		FJAAHM
CC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)cc21	ZINC000000944064	571135230	/nfs/dbraw/zinc/13/52/30/571135230.db2.gz	GTHLWHKGQZIQLL-UHFFFAOYSA-N	-1	3	371.458	4.670	50	0		FJAAHM
Cc1nc(-c2ccccn2)sc1C(=O)Nc1cc(C(C)(C)C)ccc1[O-]	ZINC000012923243	571145615	/nfs/dbraw/zinc/14/56/15/571145615.db2.gz	IWEQIOKRZIPCRZ-UHFFFAOYSA-N	-1	3	367.474	4.769	50	0		FJAAHM
Cc1ccc(Cl)cc1NC(=O)c1cc(-c2cc(Cl)ccc2[O-])[nH]n1	ZINC000072427506	571202056	/nfs/dbraw/zinc/20/20/56/571202056.db2.gz	YEXITUMKIGDJLN-UHFFFAOYSA-N	-1	3	362.216	4.650	50	0		FJAAHM
Cc1ccc(Cl)cc1NC(=O)c1cc(-c2cc(Cl)ccc2[O-])n[nH]1	ZINC000072427506	571202059	/nfs/dbraw/zinc/20/20/59/571202059.db2.gz	YEXITUMKIGDJLN-UHFFFAOYSA-N	-1	3	362.216	4.650	50	0		FJAAHM
C[C@H]1CCCN(Cn2nc(-c3ccc(Cl)cc3Cl)[n-]c2=S)C1	ZINC000013098978	571204235	/nfs/dbraw/zinc/20/42/35/571204235.db2.gz	CBOUKYXEIJXPQL-JTQLQIEISA-N	-1	3	357.310	4.604	50	0		FJAAHM
CCn1c2cc(C)ccc2c(CNCc2ccc(Cl)cc2)c1C(=O)[O-]	ZINC000006795201	571246866	/nfs/dbraw/zinc/24/68/66/571246866.db2.gz	KVIWLKXVZWNYAK-UHFFFAOYSA-N	-1	3	356.853	4.611	50	0		FJAAHM
Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1	ZINC000007428488	571265480	/nfs/dbraw/zinc/26/54/80/571265480.db2.gz	JNIVCSMVDSPYKC-UHFFFAOYSA-N	-1	3	367.751	4.607	50	0		FJAAHM
O=c1c(-c2ncc(C(F)(F)F)cc2Cl)c[n-]c2ccc(Cl)cc12	ZINC000008828958	571320850	/nfs/dbraw/zinc/32/08/50/571320850.db2.gz	QQMMQQNSXXJWPW-UHFFFAOYSA-N	-1	3	359.134	4.916	50	0		FJAAHM
CCc1ccc2c(c1)[C@H]1OCC[C@H]1[C@@H](c1cc([O-])ccc1Br)N2	ZINC000030781407	571348461	/nfs/dbraw/zinc/34/84/61/571348461.db2.gz	UQOQGHMMYOSFTL-AGRHKRQWSA-N	-1	3	374.278	4.962	50	0		FJAAHM
O=c1cc(Nc2ccc3nc(-c4ccccc4)oc3c2)[n-]n1-c1ccccc1	ZINC000004107403	571355339	/nfs/dbraw/zinc/35/53/39/571355339.db2.gz	MKTVGRMRZZWLQV-UHFFFAOYSA-N	-1	3	368.396	4.657	50	0		FJAAHM
[O-]c1ccccc1-c1cc(-c2ccccc2)nc(N=NCc2ccccc2)n1	ZINC000004314659	571357899	/nfs/dbraw/zinc/35/78/99/571357899.db2.gz	UNUJBKONPTUNAU-UHFFFAOYSA-N	-1	3	366.424	4.962	50	0		FJAAHM
COc1ccc(SCc2nc(=O)c3c(-c4ccco4)csc3[n-]2)cc1	ZINC000008134814	571359411	/nfs/dbraw/zinc/35/94/11/571359411.db2.gz	DVTNOFNKTJCVLS-UHFFFAOYSA-N	-1	3	370.455	4.546	50	0		FJAAHM
Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc(C)cc3C)c2)cs1	ZINC000000629405	219306286	/nfs/dbraw/zinc/30/62/86/219306286.db2.gz	VTWVDVXTDUMAKX-UHFFFAOYSA-N	-1	3	358.488	4.536	50	0		FJAAHM
O=C([N-]c1cccc2nsnc21)c1sc2cccc(F)c2c1Cl	ZINC000000808225	219325000	/nfs/dbraw/zinc/32/50/00/219325000.db2.gz	LYDHGJLHIXUEBP-UHFFFAOYSA-N	-1	3	363.826	4.951	50	0		FJAAHM
O=S(=O)([N-]c1ccc(-n2cccc2)cc1)c1ccc(Cl)c(Cl)c1	ZINC000001048856	219358927	/nfs/dbraw/zinc/35/89/27/219358927.db2.gz	HFOBXGSLYCFVGF-UHFFFAOYSA-N	-1	3	367.257	4.585	50	0		FJAAHM
CC(C)(C)c1ccc(OCc2nnc([N-]C(=O)c3cccs3)s2)cc1	ZINC000001061456	219362210	/nfs/dbraw/zinc/36/22/10/219362210.db2.gz	GTPJOWDURNUNLN-UHFFFAOYSA-N	-1	3	373.503	4.728	50	0		FJAAHM
C[C@H](OC(=O)c1ccc(Cl)cc1[O-])C(=O)c1ccc(C(C)(C)C)cc1	ZINC000003361446	219503006	/nfs/dbraw/zinc/50/30/06/219503006.db2.gz	XFDKQBDLHLBHFA-LBPRGKRZSA-N	-1	3	360.837	4.771	50	0		FJAAHM
O=C1CCCC2=Nc3nonc3[N-][C@@H](c3ccc(Cl)cc3Cl)C12	ZINC000102752751	209241541	/nfs/dbraw/zinc/24/15/41/209241541.db2.gz	FGUPWYAQMVRVDV-ZDUSSCGKSA-N	-1	3	351.193	4.612	50	0		FJAAHM
C[C@@H](NCc1cccs1)c1nc(=O)c2c(-c3ccccc3)csc2[n-]1	ZINC000012739481	220023615	/nfs/dbraw/zinc/02/36/15/220023615.db2.gz	VNCYFFCZTQQDOM-GFCCVEGCSA-N	-1	3	367.499	4.564	50	0		FJAAHM
O=S(=O)([N-][C@H]1CCSc2ccccc21)c1cccc(Cl)c1Cl	ZINC000012893584	220039704	/nfs/dbraw/zinc/03/97/04/220039704.db2.gz	YBBHURAIBBGKSX-LBPRGKRZSA-N	-1	3	374.314	4.509	50	0		FJAAHM
CC1=Nc2c(c(=O)[n-]n2[C@@H]2CCOC(C)(C)C2)[C@H](C2CCCCC2)S1	ZINC000096117810	209114529	/nfs/dbraw/zinc/11/45/29/209114529.db2.gz	DIRCOVAOEBNQQC-ZBFHGGJFSA-N	-1	3	363.527	4.725	50	0		FJAAHM
CCc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)cc1	ZINC000016162057	220179725	/nfs/dbraw/zinc/17/97/25/220179725.db2.gz	HTFBCMMLAILLIU-UHFFFAOYSA-N	-1	3	367.470	4.629	50	0		FJAAHM
O=S(=O)([N-]c1cc(Cl)ccc1Cl)c1ccc(C(F)(F)F)cc1	ZINC000016101189	220178171	/nfs/dbraw/zinc/17/81/71/220178171.db2.gz	YJLQCFCTDAXBIQ-UHFFFAOYSA-N	-1	3	370.179	4.813	50	0		FJAAHM
O=C([N-]c1nnc(C2CCCCC2)s1)c1nc(Cl)ccc1Cl	ZINC000016723401	220192618	/nfs/dbraw/zinc/19/26/18/220192618.db2.gz	TYBZRQMUSHTZLI-UHFFFAOYSA-N	-1	3	357.266	4.540	50	0		FJAAHM
CCCCCCc1cc(C(=O)Cc2nc3ccccc3n2C)c(O)cc1[O-]	ZINC000002398241	206799902	/nfs/dbraw/zinc/79/99/02/206799902.db2.gz	FBZRACLALPXXBG-UHFFFAOYSA-N	-1	3	366.461	4.533	50	0		FJAAHM
Cc1ccc2oc(=O)c3cc(C(=O)[N-]c4cc(F)ccc4F)sc3c2c1	ZINC000004939741	207065108	/nfs/dbraw/zinc/06/51/08/207065108.db2.gz	JDZBXBGOGHSBTO-UHFFFAOYSA-N	-1	3	371.364	4.847	50	0		FJAAHM
Cc1c(CN[C@H](C)c2ccccc2)c(C(=O)[O-])c(C)n1Cc1ccccc1	ZINC000005146393	207083555	/nfs/dbraw/zinc/08/35/55/207083555.db2.gz	ZGDMYYUQVLZADF-MRXNPFEDSA-N	-1	3	362.473	4.702	50	0		FJAAHM
[O-]c1ccc(Cl)c([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccco4)=NN32)c1	ZINC000005739406	207114542	/nfs/dbraw/zinc/11/45/42/207114542.db2.gz	QOFFCTHEVIXSEA-PXNSSMCTSA-N	-1	3	366.804	4.881	50	0		FJAAHM
c1csc(-c2nc(SCc3csc(-c4ccccc4)n3)n[n-]2)c1	ZINC000006139906	207130323	/nfs/dbraw/zinc/13/03/23/207130323.db2.gz	XGYBZAGCTWLSSZ-UHFFFAOYSA-N	-1	3	356.501	4.949	50	0		FJAAHM
CCc1ccc2oc(C(=O)[N-]c3nonc3-c3ccc(F)cc3)c(C)c2c1	ZINC000006670107	207153212	/nfs/dbraw/zinc/15/32/12/207153212.db2.gz	WMVNPPZFDCYYPA-UHFFFAOYSA-N	-1	3	365.364	4.745	50	0		FJAAHM
Cc1c2cccc(F)c2oc1C(=O)[N-]c1nnc(Cc2ccccc2)s1	ZINC000008210597	207223211	/nfs/dbraw/zinc/22/32/11/207223211.db2.gz	MHUUCIZFRYNMTE-UHFFFAOYSA-N	-1	3	367.405	4.575	50	0		FJAAHM
Cc1ccc(-c2cc([N-]C(=O)[C@@H](C)Oc3cc(C)cc(C)c3)on2)cc1	ZINC000009194903	207261562	/nfs/dbraw/zinc/26/15/62/207261562.db2.gz	OALDLQOCYHOJIG-MRXNPFEDSA-N	-1	3	350.418	4.673	50	0		FJAAHM
COc1cc(Br)c(/C=C/c2ccc3ccccc3n2)cc1[O-]	ZINC000013135328	207453409	/nfs/dbraw/zinc/45/34/09/207453409.db2.gz	FHPOUIPJNQWWAY-VQHVLOKHSA-N	-1	3	356.219	4.882	50	0		FJAAHM
O=C(CSC1CCCCC1)[N-]c1oncc1-c1ccc(Cl)cc1	ZINC000032984879	208062774	/nfs/dbraw/zinc/06/27/74/208062774.db2.gz	ANNADEGKHPIEMM-UHFFFAOYSA-N	-1	3	350.871	4.999	50	0		FJAAHM
Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3C)c([O-])c2)cc1	ZINC000020096615	220312414	/nfs/dbraw/zinc/31/24/14/220312414.db2.gz	GEWUZRBMWUGXKQ-UHFFFAOYSA-N	-1	3	360.413	4.514	50	0		FJAAHM
CCCN(CCC)C(=O)c1oc2ccccc2c1[N-]C(=O)c1ccco1	ZINC000020942513	220346658	/nfs/dbraw/zinc/34/66/58/220346658.db2.gz	FVGPZGVVADSHNK-UHFFFAOYSA-N	-1	3	354.406	4.540	50	0		FJAAHM
O=C(Nc1ccccc1[O-])c1cccc(OCc2cccc(Cl)c2)c1	ZINC000058406983	221117420	/nfs/dbraw/zinc/11/74/20/221117420.db2.gz	AGMGZUQFWHSCCT-UHFFFAOYSA-N	-1	3	353.805	4.877	50	0		FJAAHM
CC(C)n1[n-]c(=O)c2c1NC(=O)C[C@@H]2c1cccc(Oc2ccccc2)c1	ZINC000071279166	221337120	/nfs/dbraw/zinc/33/71/20/221337120.db2.gz	VANRPJQWKSAKIR-QGZVFWFLSA-N	-1	3	363.417	4.673	50	0		FJAAHM
CC(C)n1[n-]c(=O)c2c1NC(=O)C[C@H]2c1ccc(-c2cccc(Cl)c2)o1	ZINC000071280769	221338481	/nfs/dbraw/zinc/33/84/81/221338481.db2.gz	YUOUMHXZDIFYCO-ZDUSSCGKSA-N	-1	3	371.824	4.794	50	0		FJAAHM
O=c1c2c([n-]n1-c1ccccc1)NC1=C(C(=O)CCC1)[C@H]2c1ccccc1	ZINC000102644414	222302959	/nfs/dbraw/zinc/30/29/59/222302959.db2.gz	JTIWWBLNRFEIEE-GOSISDBHSA-N	-1	3	357.413	4.792	50	0		FJAAHM
COc1cc([C@@H]2CC(=O)Nc3c4ccccc4ccc32)cc(Cl)c1[O-]	ZINC000000855641	570461067	/nfs/dbraw/zinc/46/10/67/570461067.db2.gz	LCLGHPLLJWGEMX-HNNXBMFYSA-N	-1	3	353.805	4.682	50	0		FJAAHM
CCOc1ccc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1	ZINC000001175512	570488165	/nfs/dbraw/zinc/48/81/65/570488165.db2.gz	CFHSFINXRHDMBO-UHFFFAOYSA-N	-1	3	359.491	4.934	50	0		FJAAHM
Cc1ccc(S(=O)(=O)[N-]c2ccc3oc4c(c3c2)CCCC4)c(C)c1	ZINC000001221337	570495306	/nfs/dbraw/zinc/49/53/06/570495306.db2.gz	ANTOKMBZUBDKBE-UHFFFAOYSA-N	-1	3	355.459	4.729	50	0		FJAAHM
O=c1[n-]c(-c2ccc(-c3ccc(Br)cc3)o2)nc2ccccc12	ZINC000003848459	570568914	/nfs/dbraw/zinc/56/89/14/570568914.db2.gz	SRYBIXPURMTCCU-UHFFFAOYSA-N	-1	3	367.202	4.613	50	0		FJAAHM
Brc1ccccc1CSc1n[n-]c(-c2cccs2)n1	ZINC000005017914	570676833	/nfs/dbraw/zinc/67/68/33/570676833.db2.gz	OCNZHYRHKSRAEN-UHFFFAOYSA-N	-1	3	352.282	4.588	50	0		FJAAHM
O=S(=O)([N-]c1cccc(Cl)c1Cl)c1ccc2ccccc2c1	ZINC000001218350	570764181	/nfs/dbraw/zinc/76/41/81/570764181.db2.gz	OOYYSZTVBNZHJN-UHFFFAOYSA-N	-1	3	352.242	4.947	50	0		FJAAHM
Cc1ccc(CN(Cn2nc(-c3cccs3)[n-]c2=S)C2CC2)cc1	ZINC000048310557	570943716	/nfs/dbraw/zinc/94/37/16/570943716.db2.gz	VYGVUFSAIYNMEH-UHFFFAOYSA-N	-1	3	356.520	4.600	50	0		FJAAHM
CCOc1ccc2nc([N-]C(=O)c3cc(-c4cccs4)on3)sc2c1	ZINC000027990562	571025085	/nfs/dbraw/zinc/02/50/85/571025085.db2.gz	IVYNBORYADNCOI-UHFFFAOYSA-N	-1	3	371.443	4.664	50	0		FJAAHM
C[C@H](NCc1cccs1)c1nc(=O)c2c(-c3ccccc3)csc2[n-]1	ZINC000012739483	571060941	/nfs/dbraw/zinc/06/09/41/571060941.db2.gz	VNCYFFCZTQQDOM-LBPRGKRZSA-N	-1	3	367.499	4.564	50	0		FJAAHM
Cc1ccc(-c2cc([N-]C(=O)COc3ccc(C(C)C)cc3)on2)cc1	ZINC000008868470	571063571	/nfs/dbraw/zinc/06/35/71/571063571.db2.gz	HYAPUTPODRVWSN-UHFFFAOYSA-N	-1	3	350.418	4.791	50	0		FJAAHM
Cc1ccc(-c2cc([N-]C(=O)[C@@H](C)Oc3cccc(C)c3C)on2)cc1	ZINC000008915194	571071810	/nfs/dbraw/zinc/07/18/10/571071810.db2.gz	JSGLCPXLVFOKKS-MRXNPFEDSA-N	-1	3	350.418	4.673	50	0		FJAAHM
Cc1csc(SCc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)n1	ZINC000009636200	571116021	/nfs/dbraw/zinc/11/60/21/571116021.db2.gz	BKIRJGWUTSQEOF-UHFFFAOYSA-N	-1	3	371.512	4.709	50	0		FJAAHM
COc1cccc([C@H]2CC(=O)Nc3c2c(=O)[n-]n3C2CCCCCCC2)c1	ZINC000071280821	571121173	/nfs/dbraw/zinc/12/11/73/571121173.db2.gz	IFJSSWAPWWKJTI-QGZVFWFLSA-N	-1	3	369.465	4.594	50	0		FJAAHM
O=C([N-]c1nc(-c2ccc(Cc3ccccc3)cc2)cs1)c1ccno1	ZINC000010254000	571124247	/nfs/dbraw/zinc/12/42/47/571124247.db2.gz	JPSBRDXPQMKGOB-UHFFFAOYSA-N	-1	3	361.426	4.641	50	0		FJAAHM
CCn1c2ccccc2c2cc(N[C@@H](C)C(=O)[N-]c3cc(C)no3)ccc21	ZINC000011154445	571124777	/nfs/dbraw/zinc/12/47/77/571124777.db2.gz	YOPHLAPRDQJOMX-AWEZNQCLSA-N	-1	3	362.433	4.550	50	0		FJAAHM
O=C(Nc1ccc2ccccc2c1)c1cc(-c2cc(Cl)ccc2[O-])[nH]n1	ZINC000072427492	571201987	/nfs/dbraw/zinc/20/19/87/571201987.db2.gz	TTWAMGYVFMXOCT-UHFFFAOYSA-N	-1	3	363.804	4.841	50	0		FJAAHM
O=C(Nc1ccc2ccccc2c1)c1cc(-c2cc(Cl)ccc2[O-])n[nH]1	ZINC000072427492	571201989	/nfs/dbraw/zinc/20/19/89/571201989.db2.gz	TTWAMGYVFMXOCT-UHFFFAOYSA-N	-1	3	363.804	4.841	50	0		FJAAHM
CC(C)c1csc(-c2ccc(S(=O)(=O)[N-]C3CCCCC3)s2)n1	ZINC000064769443	571242216	/nfs/dbraw/zinc/24/22/16/571242216.db2.gz	YAUHNELDUSRBFU-UHFFFAOYSA-N	-1	3	370.565	4.606	50	0		FJAAHM
Cc1ccc(C)c(-c2csc3[n-]c(CN4CCC(C)CC4)nc(=O)c23)c1	ZINC000036204142	571245104	/nfs/dbraw/zinc/24/51/04/571245104.db2.gz	YSCFWJDCTQGFAZ-UHFFFAOYSA-N	-1	3	367.518	4.500	50	0		FJAAHM
CC1=Nc2c(c(=O)[n-]n2[C@@H]2CCOC(C)(C)C2)[C@@H](c2ccccc2)S1	ZINC000095477183	571330911	/nfs/dbraw/zinc/33/09/11/571330911.db2.gz	QLJLTYQCZMCXTO-GDBMZVCRSA-N	-1	3	357.479	4.605	50	0		FJAAHM
Cc1c(CNCc2ccc(F)cc2)c(C(=O)[O-])c(C)n1-c1ccc(C)cc1	ZINC000021025247	571332192	/nfs/dbraw/zinc/33/21/92/571332192.db2.gz	ICINXWCELASGBN-UHFFFAOYSA-N	-1	3	366.436	4.530	50	0		FJAAHM
O=c1[n-]c(SCc2ccccc2F)nc2c(-c3ccccc3)c[nH]c21	ZINC000021883821	571336144	/nfs/dbraw/zinc/33/61/44/571336144.db2.gz	RGPQNLYCTQYKJV-UHFFFAOYSA-N	-1	3	351.406	4.762	50	0		FJAAHM
O=S(=O)([N-]c1ccc(OCc2ccccc2)cc1)c1ccc(Cl)cc1	ZINC000000632230	219307028	/nfs/dbraw/zinc/30/70/28/219307028.db2.gz	OLMXRSNADPRSBK-UHFFFAOYSA-N	-1	3	373.861	4.720	50	0		FJAAHM
COC([O-])=NC(=O)Nc1ccc(Oc2ccc(Cl)cc2)c(Cl)c1	ZINC000000639628	219307346	/nfs/dbraw/zinc/30/73/46/219307346.db2.gz	UCWBXSXXMQXCJA-UHFFFAOYSA-N	-1	3	355.177	4.674	50	0		FJAAHM
COC(=O)N=C([O-])Nc1ccc(Oc2ccc(Cl)cc2)c(Cl)c1	ZINC000000639628	219307350	/nfs/dbraw/zinc/30/73/50/219307350.db2.gz	UCWBXSXXMQXCJA-UHFFFAOYSA-N	-1	3	355.177	4.674	50	0		FJAAHM
COC(=O)[N-]C(=O)Nc1ccc(Oc2ccc(Cl)cc2)c(Cl)c1	ZINC000000639628	219307352	/nfs/dbraw/zinc/30/73/52/219307352.db2.gz	UCWBXSXXMQXCJA-UHFFFAOYSA-N	-1	3	355.177	4.674	50	0		FJAAHM
O=C1[N-][C@@H](c2ccccc2Cl)Nc2c1sc(=S)n2-c1ccccc1	ZINC000000843005	219329698	/nfs/dbraw/zinc/32/96/98/219329698.db2.gz	GCRSECULWAXJOD-AWEZNQCLSA-N	-1	3	373.890	4.776	50	0		FJAAHM
Cc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccc([O-])cc2)C3=O)cc1C	ZINC000001154193	219382588	/nfs/dbraw/zinc/38/25/88/219382588.db2.gz	DWLFDNHMXRAALU-UHFFFAOYSA-N	-1	3	359.381	4.602	50	0		FJAAHM
CC1CCN(Cn2nc(-c3ccc(Cl)cc3Cl)[n-]c2=S)CC1	ZINC000013071539	220056065	/nfs/dbraw/zinc/05/60/65/220056065.db2.gz	RLTOTFQUIKXTSO-UHFFFAOYSA-N	-1	3	357.310	4.604	50	0		FJAAHM
Cc1cc(NC(=O)c2cccc(F)c2)cc(-c2nc3ccccc3o2)c1[O-]	ZINC000004988522	207069681	/nfs/dbraw/zinc/06/96/81/207069681.db2.gz	DWPUMDDYGBWMGZ-UHFFFAOYSA-N	-1	3	362.360	4.900	50	0		FJAAHM
O=C([O-])c1c(CNCc2ccccc2)c2ccccc2n1Cc1ccccc1	ZINC000006803639	207166976	/nfs/dbraw/zinc/16/69/76/207166976.db2.gz	DNBHHJHMIBMTBJ-UHFFFAOYSA-N	-1	3	370.452	4.678	50	0		FJAAHM
COC(=O)c1sc(-c2ccccc2)cc1[N-]C(=O)c1c(F)cccc1F	ZINC000006808140	207167860	/nfs/dbraw/zinc/16/78/60/207167860.db2.gz	CGCPTHNXNJOAMG-UHFFFAOYSA-N	-1	3	373.380	4.732	50	0		FJAAHM
Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)Nc1ccccc1[O-]	ZINC000012877557	207430230	/nfs/dbraw/zinc/43/02/30/207430230.db2.gz	XMXHLPGKOBYQAA-UHFFFAOYSA-N	-1	3	374.849	4.642	50	0		FJAAHM
CC(C)c1cc(C(=O)N(C)Cc2nccn2C(F)F)c([O-])c(C(C)C)c1	ZINC000032914461	208055565	/nfs/dbraw/zinc/05/55/65/208055565.db2.gz	MUZYPGUDHIHGKR-UHFFFAOYSA-N	-1	3	365.424	4.503	50	0		FJAAHM
Cc1nnc([N-]C(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)s1	ZINC000036635994	208170232	/nfs/dbraw/zinc/17/02/32/208170232.db2.gz	GGLKYFHNOUMIQH-UHFFFAOYSA-N	-1	3	354.218	4.666	50	0		FJAAHM
Cc1ccc(-c2csc3[n-]c(CN4CCCC[C@H]4C)nc(=O)c23)cc1C	ZINC000036203720	208148469	/nfs/dbraw/zinc/14/84/69/208148469.db2.gz	JNBZKAJZDYDNAM-OAHLLOKOSA-N	-1	3	367.518	4.643	50	0		FJAAHM
O=c1[n-]c(SCc2cccc(F)c2)nc2c(-c3ccccc3)c[nH]c21	ZINC000021883823	220369979	/nfs/dbraw/zinc/36/99/79/220369979.db2.gz	NEUOLVRNNBGGGR-UHFFFAOYSA-N	-1	3	351.406	4.762	50	0		FJAAHM
COc1cc(/C=C(/Cl)c2nc3cc(F)c(F)cc3[nH]2)cc(Cl)c1[O-]	ZINC000050647372	221032834	/nfs/dbraw/zinc/03/28/34/221032834.db2.gz	NNMCISZTMDSTOT-YCRREMRBSA-N	-1	3	371.170	4.946	50	0		FJAAHM
CC1=Nc2c(c(=O)[n-]n2[C@H]2CCOC(C)(C)C2)[C@H](C2CCCCC2)S1	ZINC000096117811	222032478	/nfs/dbraw/zinc/03/24/78/222032478.db2.gz	DIRCOVAOEBNQQC-HOCLYGCPSA-N	-1	3	363.527	4.725	50	0		FJAAHM
O=c1c2c([n-]n1-c1ccccc1)NC1=C(C(=O)CCC1)[C@@H]2c1ccccc1	ZINC000102644413	222302640	/nfs/dbraw/zinc/30/26/40/222302640.db2.gz	JTIWWBLNRFEIEE-SFHVURJKSA-N	-1	3	357.413	4.792	50	0		FJAAHM
[O-]c1ccccc1-c1nc(/C=C\c2ccccc2F)nn1-c1ccccc1	ZINC000033248858	568471952	/nfs/dbraw/zinc/47/19/52/568471952.db2.gz	SHUBZPZJNCKFAI-PFONDFGASA-N	-1	3	357.388	4.949	50	0		FJAAHM
COc1cc([C@H]2CC(=O)Nc3ccc4ccccc4c32)cc(Cl)c1[O-]	ZINC000002885034	570542711	/nfs/dbraw/zinc/54/27/11/570542711.db2.gz	KUROBGYLPHCKRP-CQSZACIVSA-N	-1	3	353.805	4.682	50	0		FJAAHM
CSc1ccc2nc([N-]C(=O)c3nc4ccccc4s3)sc2c1	ZINC000005299113	570646552	/nfs/dbraw/zinc/64/65/52/570646552.db2.gz	KCHGVRRYHVDUQR-UHFFFAOYSA-N	-1	3	357.485	4.880	50	0		FJAAHM
Cc1ccc(NC(=O)c2cc(-c3cc(Cl)ccc3[O-])[nH]n2)cc1Cl	ZINC000005343440	570648488	/nfs/dbraw/zinc/64/84/88/570648488.db2.gz	ALYZFBYKANRLNW-UHFFFAOYSA-N	-1	3	362.216	4.650	50	0		FJAAHM
Cc1ccc(NC(=O)c2cc(-c3cc(Cl)ccc3[O-])n[nH]2)cc1Cl	ZINC000005343440	570648490	/nfs/dbraw/zinc/64/84/90/570648490.db2.gz	ALYZFBYKANRLNW-UHFFFAOYSA-N	-1	3	362.216	4.650	50	0		FJAAHM
Cc1c2ccccc2oc1-c1nc(=O)c2c3c(sc2[n-]1)C[C@H](C)CC3	ZINC000013101870	570773878	/nfs/dbraw/zinc/77/38/78/570773878.db2.gz	QBBWMPWSORAEJM-SNVBAGLBSA-N	-1	3	350.443	4.831	50	0		FJAAHM
O=C([N-]c1nnc(C2CCCCC2)s1)c1cnc(Cl)c(Cl)c1	ZINC000014679075	570821711	/nfs/dbraw/zinc/82/17/11/570821711.db2.gz	CNPHKHNNFQRTIV-UHFFFAOYSA-N	-1	3	357.266	4.540	50	0		FJAAHM
Cc1c(C(=O)Nc2ccccc2[O-])sc2nc(-c3ccco3)nc(C)c12	ZINC000024925473	570985959	/nfs/dbraw/zinc/98/59/59/570985959.db2.gz	NCTYFQWHDXSLEV-UHFFFAOYSA-N	-1	3	365.414	4.526	50	0		FJAAHM
C[C@@H](Oc1ccccc1F)C(=O)[N-]c1cc(-c2ccc(Cl)cc2)no1	ZINC000027663283	571017715	/nfs/dbraw/zinc/01/77/15/571017715.db2.gz	SAEKXWPKPDQSFK-LLVKDONJSA-N	-1	3	360.772	4.540	50	0		FJAAHM
[O-]c1ccccc1C1=Nc2nc3ccccc3n2[C@@H](c2ccc(F)cc2)C1	ZINC000001246552	571044212	/nfs/dbraw/zinc/04/42/12/571044212.db2.gz	BMZVWHWPKMYZNC-HXUWFJFHSA-N	-1	3	357.388	4.995	50	0		FJAAHM
COc1ccc([C@H]2SC(C)=Nc3c2c(=O)[n-]n3C2CCCCCC2)cc1	ZINC000085411972	571113327	/nfs/dbraw/zinc/11/33/27/571113327.db2.gz	GBNDMJHTVZZWDE-GOSISDBHSA-N	-1	3	371.506	4.966	50	0		FJAAHM
COc1ccc([C@@H]2SC(C)=Nc3c2c(=O)[n-]n3C2CCCCCC2)cc1	ZINC000085411969	571113560	/nfs/dbraw/zinc/11/35/60/571113560.db2.gz	GBNDMJHTVZZWDE-SFHVURJKSA-N	-1	3	371.506	4.966	50	0		FJAAHM
O=C(Nc1nc2ccccc2s1)c1c[n-]nc1-c1ccc(Cl)cc1	ZINC000010127028	571122738	/nfs/dbraw/zinc/12/27/38/571122738.db2.gz	XSGUSZNDDBMTLT-UHFFFAOYSA-N	-1	3	354.822	4.592	50	0		FJAAHM
O=C(Nc1nc2ccccc2s1)c1cn[n-]c1-c1ccc(Cl)cc1	ZINC000010127028	571122740	/nfs/dbraw/zinc/12/27/40/571122740.db2.gz	XSGUSZNDDBMTLT-UHFFFAOYSA-N	-1	3	354.822	4.592	50	0		FJAAHM
COCC[C@@H]1CCCCN1C(=O)c1ccc(-c2cc(Cl)ccc2[O-])cc1	ZINC000426509289	571229169	/nfs/dbraw/zinc/22/91/69/571229169.db2.gz	DURFQXVAUFFDLY-SFHVURJKSA-N	-1	3	373.880	4.744	50	0		FJAAHM
O=C1S/C(=C/c2cc(Cl)ccc2[O-])C(=O)N1c1cccc(Cl)c1	ZINC000033293781	571231300	/nfs/dbraw/zinc/23/13/00/571231300.db2.gz	KSXSXHAKLYVLHB-VGOFMYFVSA-N	-1	3	366.225	4.940	50	0		FJAAHM
Cc1c(C(=O)[N-]c2nonc2-c2cccs2)oc2cc(C)cc(C)c12	ZINC000006669608	571240217	/nfs/dbraw/zinc/24/02/17/571240217.db2.gz	OYOGRFPKLZJDGD-UHFFFAOYSA-N	-1	3	353.403	4.722	50	0		FJAAHM
Cc1noc(C)c1-c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2C)c1	ZINC000064837582	571244192	/nfs/dbraw/zinc/24/41/92/571244192.db2.gz	YIGBUMUCBJMTKA-UHFFFAOYSA-N	-1	3	374.437	4.515	50	0		FJAAHM
O=S(=O)([N-]c1ccccc1Cl)c1ccc2[nH]c3c(c2c1)CCCC3	ZINC000006930255	571254831	/nfs/dbraw/zinc/25/48/31/571254831.db2.gz	GWHWCLSJYKPBBD-UHFFFAOYSA-N	-1	3	360.866	4.501	50	0		FJAAHM
C[C@H](NC(=O)N(Cc1ccccn1)C1CCCCC1)c1ccc([O-])c(F)c1	ZINC000584898614	571315785	/nfs/dbraw/zinc/31/57/85/571315785.db2.gz	UGZOHNNIZFISHT-HNNXBMFYSA-N	-1	3	371.456	4.532	50	0		FJAAHM
O=C(/C=C/c1cccc(Br)c1)c1ccc([O-])c(CCCl)c1	ZINC000013013627	571323007	/nfs/dbraw/zinc/32/30/07/571323007.db2.gz	WBWMNPIWYQPPQK-GQCTYLIASA-N	-1	3	365.654	4.832	50	0		FJAAHM
O=c1[n-]n(C2CCCCCCC2)c2c1[C@@H](c1ccncc1)SCC(=O)N2	ZINC000079493872	571327613	/nfs/dbraw/zinc/32/76/13/571327613.db2.gz	ISZVXPIPKZWNRT-QGZVFWFLSA-N	-1	3	372.494	4.693	50	0		FJAAHM
O=c1[n-]n(C2CCCCCCC2)c2c1[C@H](C(F)(F)F)SCC(=O)N2	ZINC000079502097	571327695	/nfs/dbraw/zinc/32/76/95/571327695.db2.gz	ZIMXYZUTBBTAMC-GFCCVEGCSA-N	-1	3	363.405	4.812	50	0		FJAAHM
O=c1[n-]n(C2CCCCCCC2)c2c1[C@@H](C(F)(F)F)SCC(=O)N2	ZINC000079502100	571327733	/nfs/dbraw/zinc/32/77/33/571327733.db2.gz	ZIMXYZUTBBTAMC-LBPRGKRZSA-N	-1	3	363.405	4.812	50	0		FJAAHM
CC1=Nc2c(c(=O)[n-]n2[C@H]2CCOC(C)(C)C2)[C@H](c2ccccc2)S1	ZINC000095477182	571330921	/nfs/dbraw/zinc/33/09/21/571330921.db2.gz	QLJLTYQCZMCXTO-HOCLYGCPSA-N	-1	3	357.479	4.605	50	0		FJAAHM
CC1=Nc2c(c(=O)[n-]n2[C@H]2CCOC(C)(C)C2)[C@@H](c2ccccc2)S1	ZINC000095477184	571330923	/nfs/dbraw/zinc/33/09/23/571330923.db2.gz	QLJLTYQCZMCXTO-GOEBONIOSA-N	-1	3	357.479	4.605	50	0		FJAAHM
O=c1[n-]c(SCc2ccc(F)cc2)nc2c(-c3ccccc3)c[nH]c21	ZINC000021883825	571336149	/nfs/dbraw/zinc/33/61/49/571336149.db2.gz	VMTMIYVFHGKLQR-UHFFFAOYSA-N	-1	3	351.406	4.762	50	0		FJAAHM
O=C([N-]c1c2ccccc2oc1C(=O)Nc1cccc(F)c1)c1ccco1	ZINC000004162538	571356270	/nfs/dbraw/zinc/35/62/70/571356270.db2.gz	APQWRDMZBKVIOI-UHFFFAOYSA-N	-1	3	364.332	4.670	50	0		FJAAHM
CCCCCCc1cc2cc(C(N)=O)/c(=N/c3ccccc3)oc2cc1[O-]	ZINC000004177663	571356459	/nfs/dbraw/zinc/35/64/59/571356459.db2.gz	AHFTUOIBRVEFQS-GYHWCHFESA-N	-1	3	364.445	4.593	50	0		FJAAHM
O=C(c1coc2c1cc([O-])c1ccccc21)c1cc2ccccc2oc1=O	ZINC000000983946	219350229	/nfs/dbraw/zinc/35/02/29/219350229.db2.gz	ALUQXSJARGBEOQ-UHFFFAOYSA-N	-1	3	356.333	4.629	50	0		FJAAHM
Cc1cc(C(=O)[N-]c2nnc(C(F)(F)F)s2)sc1-c1ccccc1	ZINC000001054292	219359484	/nfs/dbraw/zinc/35/94/84/219359484.db2.gz	UECPOVFRZNSHMG-UHFFFAOYSA-N	-1	3	369.393	4.846	50	0		FJAAHM
CCSc1nnc([N-]C(=O)c2cc(C)c(-c3ccccc3)s2)s1	ZINC000001053504	219359930	/nfs/dbraw/zinc/35/99/30/219359930.db2.gz	HONDYLJEJZEULO-UHFFFAOYSA-N	-1	3	361.517	4.939	50	0		FJAAHM
COc1ccc([N-]S(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)cc1	ZINC000001100349	219369449	/nfs/dbraw/zinc/36/94/49/219369449.db2.gz	FBTQFXNCCNXYOF-UHFFFAOYSA-N	-1	3	373.861	4.816	50	0		FJAAHM
Cc1ccccc1-n1c(COc2ccc(Cl)cc2Cl)n[n-]c1=S	ZINC000001142357	219378911	/nfs/dbraw/zinc/37/89/11/219378911.db2.gz	KFRUUBYTSWPSKB-UHFFFAOYSA-N	-1	3	366.273	4.750	50	0		FJAAHM
O=C([N-]c1nnc(-c2ccc3c(c2)CCCC3)o1)c1cc2ccccc2o1	ZINC000007613840	209463509	/nfs/dbraw/zinc/46/35/09/209463509.db2.gz	YTTFNCFYIRAVFC-UHFFFAOYSA-N	-1	3	359.385	4.614	50	0		FJAAHM
Cc1ccc(-c2cc([N-]C(=O)COc3ccc(Cl)cc3C)on2)cc1	ZINC000008612406	219865023	/nfs/dbraw/zinc/86/50/23/219865023.db2.gz	WJEWTLYLCXZKQN-UHFFFAOYSA-N	-1	3	356.809	4.629	50	0		FJAAHM
O=C1C[C@@H](c2ccccc2)CC2=Nc3nonc3[N-][C@H](c3cccs3)C12	ZINC000102839807	209242956	/nfs/dbraw/zinc/24/29/56/209242956.db2.gz	VWXPNFPDQMVROO-YVEFUNNKSA-N	-1	3	364.430	4.760	50	0		FJAAHM
CSc1ccc([C@@H]2[N-]c3nonc3N=C3CC(C)(C)CC(=O)C32)cc1	ZINC000102739593	209240926	/nfs/dbraw/zinc/24/09/26/209240926.db2.gz	CCXBKFCFTTYOCF-HNNXBMFYSA-N	-1	3	356.451	4.663	50	0		FJAAHM
COc1cc(/C=C\c2nc3ccccc3s2)cc(Br)c1[O-]	ZINC000096767167	209157020	/nfs/dbraw/zinc/15/70/20/209157020.db2.gz	WLQRHUNVFDQJQK-SREVYHEPSA-N	-1	3	362.248	4.943	50	0		FJAAHM
O=S(=O)([N-][C@@H]1CCSc2ccccc21)c1cc(Cl)ccc1Cl	ZINC000012924687	220044116	/nfs/dbraw/zinc/04/41/16/220044116.db2.gz	DPRJRBVUDWSAKV-CYBMUJFWSA-N	-1	3	374.314	4.509	50	0		FJAAHM
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)[N-]c1cc(F)ccc1F	ZINC000013325592	220064059	/nfs/dbraw/zinc/06/40/59/220064059.db2.gz	PSUGOPOLPSOWOE-UHFFFAOYSA-N	-1	3	366.726	4.973	50	0		FJAAHM
COc1ccc(C2=NCC(=S)[N-]c3ccc(Cl)cc32)cc1Cl	ZINC000013555475	220073835	/nfs/dbraw/zinc/07/38/35/220073835.db2.gz	AQQVKLDOOSEYSC-UHFFFAOYSA-N	-1	3	351.258	4.592	50	0		FJAAHM
O=C([N-]c1c2ccccc2oc1C(=O)Nc1ccccc1)c1cccs1	ZINC000004267227	207009628	/nfs/dbraw/zinc/00/96/28/207009628.db2.gz	XOIKZWUBYDVLSZ-UHFFFAOYSA-N	-1	3	362.410	4.999	50	0		FJAAHM
CCOC([O-])=NC(=S)C1=C(N2CCCCC2)C(=Cc2ccccc2)CC1	ZINC000004932480	207064444	/nfs/dbraw/zinc/06/44/44/207064444.db2.gz	CPBNONCUUROKEH-ICFOKQHNSA-N	-1	3	370.518	4.677	50	0		FJAAHM
CCOC(=O)[N-]C(=S)C1=C(N2CCCCC2)C(=Cc2ccccc2)CC1	ZINC000004932480	207064450	/nfs/dbraw/zinc/06/44/50/207064450.db2.gz	CPBNONCUUROKEH-ICFOKQHNSA-N	-1	3	370.518	4.677	50	0		FJAAHM
Cc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccccc2[O-])cc1	ZINC000005033577	207073763	/nfs/dbraw/zinc/07/37/63/207073763.db2.gz	JTNKAQVOHKJMPA-CCEZHUSRSA-N	-1	3	354.409	4.570	50	0		FJAAHM
Cc1c(CN[C@@H](C)c2ccccc2)c(C(=O)[O-])c(C)n1Cc1ccccc1	ZINC000005146387	207082992	/nfs/dbraw/zinc/08/29/92/207082992.db2.gz	ZGDMYYUQVLZADF-INIZCTEOSA-N	-1	3	362.473	4.702	50	0		FJAAHM
CCc1ccc2oc(C(=O)[N-]c3nonc3-c3cccs3)c(C)c2c1	ZINC000006669375	207153291	/nfs/dbraw/zinc/15/32/91/207153291.db2.gz	YQEWJGGVTCSDOL-UHFFFAOYSA-N	-1	3	353.403	4.667	50	0		FJAAHM
O=C1c2[n-]nc(-c3ccc(F)cc3)c2[C@@H](c2ccccc2)N1c1ccccc1	ZINC000006691049	207154965	/nfs/dbraw/zinc/15/49/65/207154965.db2.gz	KUMAQABVUFGWPC-JOCHJYFZSA-N	-1	3	369.399	4.966	50	0		FJAAHM
O=C1c2n[n-]c(-c3ccc(F)cc3)c2[C@@H](c2ccccc2)N1c1ccccc1	ZINC000006691049	207154969	/nfs/dbraw/zinc/15/49/69/207154969.db2.gz	KUMAQABVUFGWPC-JOCHJYFZSA-N	-1	3	369.399	4.966	50	0		FJAAHM
COc1cc(Br)c(/C=C/c2nc3ccccc3s2)cc1[O-]	ZINC000006789242	207165391	/nfs/dbraw/zinc/16/53/91/207165391.db2.gz	WRAAXPWCKCGEMW-VOTSOKGWSA-N	-1	3	362.248	4.943	50	0		FJAAHM
CCn1c2ccccc2c2cc(CNCc3ccc(C(=O)[O-])cc3)ccc21	ZINC000006871192	207173584	/nfs/dbraw/zinc/17/35/84/207173584.db2.gz	LIFNLDBEIHLZFJ-UHFFFAOYSA-N	-1	3	358.441	4.802	50	0		FJAAHM
O=C([O-])[C@H](CC(=O)c1ccc(C2CCCCC2)cc1)NCc1cccs1	ZINC000008311815	207228351	/nfs/dbraw/zinc/22/83/51/207228351.db2.gz	SGMOMGWQNHHHTC-IBGZPJMESA-N	-1	3	371.502	4.612	50	0		FJAAHM
Cc1ccc(-c2cc([N-]C(=O)[C@H](C)Oc3ccc(C)c(C)c3)on2)cc1	ZINC000008612380	207239905	/nfs/dbraw/zinc/23/99/05/207239905.db2.gz	LRSIZDQOQKDAGE-INIZCTEOSA-N	-1	3	350.418	4.673	50	0		FJAAHM
CCc1ccc(O[C@H](C)C(=O)[N-]c2cc(-c3ccc(C)cc3)no2)cc1	ZINC000008915204	207251259	/nfs/dbraw/zinc/25/12/59/207251259.db2.gz	SOCSMZIZGHSVIW-OAHLLOKOSA-N	-1	3	350.418	4.618	50	0		FJAAHM
CSc1cccc2sc([N-]C(=O)c3cc(-c4ccco4)on3)nc21	ZINC000036709522	207287039	/nfs/dbraw/zinc/28/70/39/207287039.db2.gz	CMRHOENRUWMHTH-UHFFFAOYSA-N	-1	3	357.416	4.519	50	0		FJAAHM
Cc1c([O-])ccc2c(CSc3nc4ccccc4s3)cc(=O)oc12	ZINC000010963979	207306711	/nfs/dbraw/zinc/30/67/11/207306711.db2.gz	PEXDMKUSVSLTSK-UHFFFAOYSA-N	-1	3	355.440	4.709	50	0		FJAAHM
O=C([N-]c1ccon1)c1sc2cc(Br)ccc2c1Cl	ZINC000013745856	207483916	/nfs/dbraw/zinc/48/39/16/207483916.db2.gz	OHMPWNBDKJYFOY-UHFFFAOYSA-N	-1	3	357.616	4.558	50	0		FJAAHM
O=C(Nc1ccccc1C(=O)Nc1cc(Cl)ccc1[O-])c1cccs1	ZINC000095954819	209089480	/nfs/dbraw/zinc/08/94/80/209089480.db2.gz	IDSIATRZDUQLKD-UHFFFAOYSA-N	-1	3	372.833	4.612	50	0		FJAAHM
COc1cccc([C@@H]2CC(=O)Nc3c2c(=O)[n-]n3C2CCCCCCC2)c1	ZINC000071280819	221338014	/nfs/dbraw/zinc/33/80/14/221338014.db2.gz	IFJSSWAPWWKJTI-KRWDZBQOSA-N	-1	3	369.465	4.594	50	0		FJAAHM
Cc1c([O-])ccc2c(CSc3nnc(C4CCCCC4)o3)cc(=O)oc12	ZINC000006373872	263345030	/nfs/dbraw/zinc/34/50/30/263345030.db2.gz	NUPLLDRWVIAYAL-UHFFFAOYSA-N	-1	3	372.446	4.530	50	0		FJAAHM
C[C@@H](Sc1nnc([N-]c2ccccc2F)s1)C(=O)Nc1ccccc1	ZINC000006788169	263347034	/nfs/dbraw/zinc/34/70/34/263347034.db2.gz	JUCBTTQLRWWMOL-LLVKDONJSA-N	-1	3	374.466	4.540	50	0		FJAAHM
Cc1ccc(COc2ccc(CNCc3ccc(C(=O)[O-])cc3)cc2)cc1	ZINC000020873754	524628612	/nfs/dbraw/zinc/62/86/12/524628612.db2.gz	MHHYPPBHHHFDGR-UHFFFAOYSA-N	-1	3	361.441	4.562	50	0		FJAAHM
Cc1ccc(COc2cccc(CNCc3ccc(C(=O)[O-])cc3)c2)cc1	ZINC000020874490	524630554	/nfs/dbraw/zinc/63/05/54/524630554.db2.gz	FDPFSEJEJOOCAP-UHFFFAOYSA-N	-1	3	361.441	4.562	50	0		FJAAHM
Cc1c2ccc(C)cc2oc1C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1	ZINC000238882012	525964331	/nfs/dbraw/zinc/96/43/31/525964331.db2.gz	BTSYYKVGOOMNQC-UHFFFAOYSA-N	-1	3	373.412	4.773	50	0		FJAAHM
O=S(=O)([N-]c1ccc(Cl)cc1Cl)c1ccc2ccccc2c1	ZINC000000634241	570441415	/nfs/dbraw/zinc/44/14/15/570441415.db2.gz	JRQIETYGSZLPII-UHFFFAOYSA-N	-1	3	352.242	4.947	50	0		FJAAHM
O=C1[N-][C@H](c2ccccc2Cl)Nc2c1sc(=S)n2-c1ccccc1	ZINC000000843006	570459883	/nfs/dbraw/zinc/45/98/83/570459883.db2.gz	GCRSECULWAXJOD-CQSZACIVSA-N	-1	3	373.890	4.776	50	0		FJAAHM
CCOc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)c2ccccc12	ZINC000001031768	570472451	/nfs/dbraw/zinc/47/24/51/570472451.db2.gz	YMSUHAOEWUGPQI-UHFFFAOYSA-N	-1	3	361.850	4.693	50	0		FJAAHM
Cc1cc([N-]C(=O)c2cc(-c3ccccc3)c(C(F)(F)F)s2)no1	ZINC000001039614	570474462	/nfs/dbraw/zinc/47/44/62/570474462.db2.gz	TTWUZZJRHOUZSO-UHFFFAOYSA-N	-1	3	352.337	4.983	50	0		FJAAHM
COc1ccc(Br)cc1/C=C/c1ccc2cccc([O-])c2n1	ZINC000004140790	570578524	/nfs/dbraw/zinc/57/85/24/570578524.db2.gz	SUQHUXBRQGMWJT-RMKNXTFCSA-N	-1	3	356.219	4.882	50	0		FJAAHM
O=C([N-]c1nnc(-c2ccccc2)s1)c1cc2cc(Cl)ccc2o1	ZINC000014184153	570810798	/nfs/dbraw/zinc/81/07/98/570810798.db2.gz	PAYGDFVBRUKDKF-UHFFFAOYSA-N	-1	3	355.806	4.857	50	0		FJAAHM
CC(C)(C)[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)c1cccs1	ZINC000032916395	570858210	/nfs/dbraw/zinc/85/82/10/570858210.db2.gz	YQUWMTJXXNWBKR-AWEZNQCLSA-N	-1	3	361.891	4.606	50	0		FJAAHM
CCC[C@H]([N-]c1nc(-c2ccc(OC)c(OC)c2)no1)c1cccs1	ZINC000009726879	570946713	/nfs/dbraw/zinc/94/67/13/570946713.db2.gz	FSPIWQSNMYKLAU-ZDUSSCGKSA-N	-1	3	359.451	4.769	50	0		FJAAHM
C[C@H](Oc1ccccc1F)C(=O)[N-]c1cc(-c2ccc(Cl)cc2)no1	ZINC000027663285	571017549	/nfs/dbraw/zinc/01/75/49/571017549.db2.gz	SAEKXWPKPDQSFK-NSHDSACASA-N	-1	3	360.772	4.540	50	0		FJAAHM
Cc1cc(C)cc(O[C@@H](C)C(=O)[N-]c2cc(-c3ccc(F)c(F)c3)no2)c1	ZINC000027663782	571017649	/nfs/dbraw/zinc/01/76/49/571017649.db2.gz	HVJCOCYPBXPYAG-ZDUSSCGKSA-N	-1	3	372.371	4.643	50	0		FJAAHM
Cc1cc(C(=O)[N-]c2nc(-c3cc(Cl)sc3Cl)cs2)on1	ZINC000012422385	571098283	/nfs/dbraw/zinc/09/82/83/571098283.db2.gz	WCVOKZALXHIPQW-UHFFFAOYSA-N	-1	3	360.247	4.727	50	0		FJAAHM
COc1ccc([C@H]2SC(C)=Nc3c2c(=O)[n-]n3C2CCCCC2)cc1	ZINC000085411903	571113491	/nfs/dbraw/zinc/11/34/91/571113491.db2.gz	ALFMRLBYCZKFOT-QGZVFWFLSA-N	-1	3	357.479	4.576	50	0		FJAAHM
O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)c1cccs1	ZINC000096833851	571150058	/nfs/dbraw/zinc/15/00/58/571150058.db2.gz	XMYGTVQUFOMDHW-UHFFFAOYSA-N	-1	3	352.440	4.983	50	0	aggregator	FJAAHM
CCCCCC[C@@H](C)n1[n-]c(=O)c2c1NC(=O)CS[C@@H]2c1ccccc1	ZINC000005845575	571166674	/nfs/dbraw/zinc/16/66/74/571166674.db2.gz	NHESPHRLXRZYSN-RDTXWAMCSA-N	-1	3	373.522	4.895	50	0		FJAAHM
O=C1c2[n-]nc(-c3ccccc3)c2[C@H](c2ccccc2)N1c1ccccc1	ZINC000003899679	571188863	/nfs/dbraw/zinc/18/88/63/571188863.db2.gz	TZCIQTXJNXQVIJ-QFIPXVFZSA-N	-1	3	351.409	4.827	50	0		FJAAHM
O=C1c2n[n-]c(-c3ccccc3)c2[C@H](c2ccccc2)N1c1ccccc1	ZINC000003899679	571188864	/nfs/dbraw/zinc/18/88/64/571188864.db2.gz	TZCIQTXJNXQVIJ-QFIPXVFZSA-N	-1	3	351.409	4.827	50	0		FJAAHM
Cc1ccc(NC(=O)c2cc(-c3cc(Cl)c(C)cc3[O-])[nH]n2)c(C)c1	ZINC000072427499	571202159	/nfs/dbraw/zinc/20/21/59/571202159.db2.gz	YWPYJOXTBJNMDE-UHFFFAOYSA-N	-1	3	355.825	4.613	50	0		FJAAHM
[O-]c1ccc(Br)c([C@@H]2Nc3ccc(F)cc3[C@H]3OCC[C@H]32)c1	ZINC000033271147	571226890	/nfs/dbraw/zinc/22/68/90/571226890.db2.gz	LPTQTHHWDLGXTC-JECHBYEQSA-N	-1	3	364.214	4.538	50	0		FJAAHM
[O-]c1ccccc1C1=Nc2nc3ccccc3n2[C@H](c2ccc(F)cc2)C1	ZINC000004813432	571237935	/nfs/dbraw/zinc/23/79/35/571237935.db2.gz	BMZVWHWPKMYZNC-FQEVSTJZSA-N	-1	3	357.388	4.995	50	0		FJAAHM
Cc1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[n-]n3C2CCCCCC2)cc1	ZINC000006923616	571254748	/nfs/dbraw/zinc/25/47/48/571254748.db2.gz	QRUMXEGIJTVYDR-SFHVURJKSA-N	-1	3	371.506	4.567	50	0		FJAAHM
O=c1[n-]c(CSCc2ccc(Cl)cc2)nc2c3ccccc3oc21	ZINC000170095352	571261952	/nfs/dbraw/zinc/26/19/52/571261952.db2.gz	DJHIKDUIDJOZBX-UHFFFAOYSA-N	-1	3	356.834	4.756	50	0		FJAAHM
CC(C)c1ccc(-c2nnc([N-]C(=O)c3ccc(F)cc3F)s2)cc1	ZINC000007271522	571263776	/nfs/dbraw/zinc/26/37/76/571263776.db2.gz	QIAARVJYUJOIMZ-UHFFFAOYSA-N	-1	3	359.401	4.859	50	0		FJAAHM
COc1ccccc1Oc1ccc([N-]S(=O)(=O)c2cccc(C)c2)cc1	ZINC000071814374	571270495	/nfs/dbraw/zinc/27/04/95/571270495.db2.gz	MASIINUFGDFXOM-UHFFFAOYSA-N	-1	3	369.442	4.597	50	0		FJAAHM
Cc1ccc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)c(Cl)n1	ZINC000089626797	571272366	/nfs/dbraw/zinc/27/23/66/571272366.db2.gz	WZRSDZWFUPMPEI-UHFFFAOYSA-N	-1	3	358.850	4.511	50	0		FJAAHM
Fc1ccccc1[N-]c1nnc(Sc2ncnc3sccc32)s1	ZINC000007783152	571288961	/nfs/dbraw/zinc/28/89/61/571288961.db2.gz	NEILTAMSCQGSMQ-UHFFFAOYSA-N	-1	3	361.452	4.577	50	0		FJAAHM
COC(=O)[N-]C(=S)Nc1ccc(Oc2ccc(Cl)cc2)c(Cl)c1	ZINC000003149678	571293516	/nfs/dbraw/zinc/29/35/16/571293516.db2.gz	HBNIMRORZKYPCY-UHFFFAOYSA-N	-1	3	371.245	4.839	50	0		FJAAHM
COc1ccc(/C=C/C(=O)c2ccc([O-])c(CCCl)c2)c(Cl)c1	ZINC000012938105	571322869	/nfs/dbraw/zinc/32/28/69/571322869.db2.gz	UMFYVODUYDINJW-ZZXKWVIFSA-N	-1	3	351.229	4.732	50	0		FJAAHM
O=C([O-])[C@@H](CC(=O)c1ccc(C2CCCCC2)cc1)NCc1cccs1	ZINC000002570966	571339077	/nfs/dbraw/zinc/33/90/77/571339077.db2.gz	SGMOMGWQNHHHTC-LJQANCHMSA-N	-1	3	371.502	4.612	50	0		FJAAHM
Cc1ccc(S(=O)(=O)[N-]c2c(Cl)cc(Cl)c3cccnc32)cc1	ZINC000000758709	219319540	/nfs/dbraw/zinc/31/95/40/219319540.db2.gz	UAQOINWXYOCOGS-UHFFFAOYSA-N	-1	3	367.257	4.651	50	0		FJAAHM
CCOc1ccc([N-]S(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1	ZINC000001100347	219369436	/nfs/dbraw/zinc/36/94/36/219369436.db2.gz	JDYAGTWBLSEGCQ-UHFFFAOYSA-N	-1	3	369.442	4.678	50	0		FJAAHM
Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccc(C)c3)cc2)cc1	ZINC000001123125	219374455	/nfs/dbraw/zinc/37/44/55/219374455.db2.gz	IJHUJULFJOZUOX-UHFFFAOYSA-N	-1	3	353.443	4.897	50	0		FJAAHM
Cc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccccc2[O-])C3=O)cc1C	ZINC000001153272	219382350	/nfs/dbraw/zinc/38/23/50/219382350.db2.gz	ZPRVDRGGTRTLRZ-UHFFFAOYSA-N	-1	3	359.381	4.602	50	0		FJAAHM
CCOc1ccc(S(=O)(=O)[N-]c2ccc3oc4c(c3c2)CCCC4)cc1	ZINC000001188089	219387175	/nfs/dbraw/zinc/38/71/75/219387175.db2.gz	BIUYILGUMCZEHS-UHFFFAOYSA-N	-1	3	371.458	4.511	50	0		FJAAHM
CCCCOc1cccc(-c2nnc([N-]C(=O)c3cccs3)s2)c1	ZINC000002844510	219468962	/nfs/dbraw/zinc/46/89/62/219468962.db2.gz	KAZASLOPKRYTCD-UHFFFAOYSA-N	-1	3	359.476	4.698	50	0		FJAAHM
Cc1cccc(-n2c(COc3ccc(C(C)(C)C)cc3)n[n-]c2=S)c1	ZINC000004189503	219553743	/nfs/dbraw/zinc/55/37/43/219553743.db2.gz	VAVDIVYQHNOFLZ-UHFFFAOYSA-N	-1	3	353.491	4.741	50	0		FJAAHM
Cc1nc(-c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)cs1	ZINC000013357999	220065015	/nfs/dbraw/zinc/06/50/15/220065015.db2.gz	QYMQXGZNUBAOME-UHFFFAOYSA-N	-1	3	372.515	4.845	50	0		FJAAHM
CCCCCC[C@@H](C)n1[n-]c(=O)c2c1NC(=O)CS[C@H]2c1ccccc1	ZINC000005845563	207119055	/nfs/dbraw/zinc/11/90/55/207119055.db2.gz	NHESPHRLXRZYSN-KDOFPFPSSA-N	-1	3	373.522	4.895	50	0		FJAAHM
COc1cc(/C=C/c2nc(-c3ccc(F)cc3)cs2)cc(OC)c1[O-]	ZINC000006169991	207131918	/nfs/dbraw/zinc/13/19/18/207131918.db2.gz	ZXKFQYRCBRJWPH-FPYGCLRLSA-N	-1	3	357.406	4.842	50	0		FJAAHM
Cc1ccc(-c2cc([N-]C(=O)[C@@H](C)Oc3ccccc3Cl)on2)cc1	ZINC000006755273	207161325	/nfs/dbraw/zinc/16/13/25/207161325.db2.gz	QPIUXFOPYHVILO-CYBMUJFWSA-N	-1	3	356.809	4.709	50	0		FJAAHM
C=Cc1ccc(Cn2c(C)c(CNCc3ccccc3)c(C(=O)[O-])c2C)cc1	ZINC000008932863	207252159	/nfs/dbraw/zinc/25/21/59/207252159.db2.gz	ALUHFYMCVKSCJO-UHFFFAOYSA-N	-1	3	374.484	4.784	50	0		FJAAHM
Cc1c(CNCc2cccc(F)c2)c(C(=O)[O-])c(C)n1-c1ccc(C)cc1	ZINC000021025352	207761333	/nfs/dbraw/zinc/76/13/33/207761333.db2.gz	BGWUFYDEYUUGKS-UHFFFAOYSA-N	-1	3	366.436	4.530	50	0		FJAAHM
Cc1cc(-c2ccc(C(C)C)c(S(=O)(=O)[N-]c3ccccc3F)c2)on1	ZINC000020978930	207758347	/nfs/dbraw/zinc/75/83/47/207758347.db2.gz	QMPRWVVWSAKFQZ-UHFFFAOYSA-N	-1	3	374.437	4.713	50	0		FJAAHM
Cc1c(CNCc2ccc(Cl)cc2)c(C(=O)[O-])c(C)n1-c1ccccc1	ZINC000021025623	220348764	/nfs/dbraw/zinc/34/87/64/220348764.db2.gz	AWYVTNFKNALBLX-UHFFFAOYSA-N	-1	3	368.864	4.736	50	0		FJAAHM
Cc1c(CNCc2cccc(Cl)c2)c(C(=O)[O-])c(C)n1-c1ccccc1	ZINC000021025813	220348976	/nfs/dbraw/zinc/34/89/76/220348976.db2.gz	VQICIRKVJQIIMH-UHFFFAOYSA-N	-1	3	368.864	4.736	50	0		FJAAHM
O=C1C[C@@H](c2cccs2)CC2=Nc3nonc3[N-][C@@H](c3ccccc3)C12	ZINC000102745959	222306779	/nfs/dbraw/zinc/30/67/79/222306779.db2.gz	DTHBEMAZLKBDEV-SJCJKPOMSA-N	-1	3	364.430	4.760	50	0		FJAAHM
CN(CC[C@@H]1CCCCO1)C(=O)c1cccc(-c2cc(Cl)ccc2[O-])c1	ZINC000426489324	263603034	/nfs/dbraw/zinc/60/30/34/263603034.db2.gz	FXTUXRKZMAPXRN-SFHVURJKSA-N	-1	3	373.880	4.744	50	0		FJAAHM
COc1cc([C@H]2CC(=O)Nc3c4ccccc4ccc32)cc(Cl)c1[O-]	ZINC000000855640	570461123	/nfs/dbraw/zinc/46/11/23/570461123.db2.gz	LCLGHPLLJWGEMX-OAHLLOKOSA-N	-1	3	353.805	4.682	50	0		FJAAHM
O=C1c2ccc(Oc3ccc(Cl)cc3)cc2C(=O)N1c1ccc([O-])cc1	ZINC000000992782	570469006	/nfs/dbraw/zinc/46/90/06/570469006.db2.gz	CKBRGUJEWMUFGY-UHFFFAOYSA-N	-1	3	365.772	4.639	50	0		FJAAHM
COC(=O)c1c(-c2ccccc2)csc1[N-]C(=O)c1c(F)cccc1F	ZINC000001055560	570477821	/nfs/dbraw/zinc/47/78/21/570477821.db2.gz	AULUQGFENRYMAB-UHFFFAOYSA-N	-1	3	373.380	4.732	50	0		FJAAHM
COCc1c2ccccc2oc1C(=O)[N-]c1nnc(C2CCCCC2)s1	ZINC000014679180	570541477	/nfs/dbraw/zinc/54/14/77/570541477.db2.gz	WQXRNVUOAFNLSD-UHFFFAOYSA-N	-1	3	371.462	4.731	50	0		FJAAHM
Cc1cc(NC(=O)Cc2ccccc2)cc(-c2nc3ccccc3o2)c1[O-]	ZINC000004988508	570571848	/nfs/dbraw/zinc/57/18/48/570571848.db2.gz	IPEZXATYJXSHIZ-UHFFFAOYSA-N	-1	3	358.397	4.690	50	0		FJAAHM
O=C([N-]c1c2ccccc2oc1C(=O)Nc1ccc(F)cc1)c1ccco1	ZINC000005035511	570577518	/nfs/dbraw/zinc/57/75/18/570577518.db2.gz	RFUQGQNQYLGQFO-UHFFFAOYSA-N	-1	3	364.332	4.670	50	0		FJAAHM
O=S(=O)(Cc1ccccc1)[N-]c1ccccc1Sc1ccccc1	ZINC000004731542	570603716	/nfs/dbraw/zinc/60/37/16/570603716.db2.gz	MLDYUSJMYMRCMP-UHFFFAOYSA-N	-1	3	355.484	4.780	50	0		FJAAHM
CN(CC[C@H]1CCCCO1)C(=O)c1cccc(-c2cc(Cl)ccc2[O-])c1	ZINC000426489323	570608709	/nfs/dbraw/zinc/60/87/09/570608709.db2.gz	FXTUXRKZMAPXRN-GOSISDBHSA-N	-1	3	373.880	4.744	50	0		FJAAHM
O=c1[n-]n(C2CCCCC2)c2c1[C@@H](Cc1ccccc1)SCC(=O)N2	ZINC000080329860	570634683	/nfs/dbraw/zinc/63/46/83/570634683.db2.gz	CXOBLDXWOTVGAS-OAHLLOKOSA-N	-1	3	357.479	4.713	50	0		FJAAHM
O=c1[n-]c(=S)[nH]c(-c2ccccc2)c1Cc1c(O)ccc2ccccc21	ZINC000007996283	570675981	/nfs/dbraw/zinc/67/59/81/570675981.db2.gz	RVNSQVIUFZVNAU-UHFFFAOYSA-N	-1	3	360.438	4.549	50	0	in-vivo	FJAAHM
CN(Cn1nc(-c2cccs2)[n-]c1=S)[C@@H]1CCCc2ccccc21	ZINC000045773859	570911995	/nfs/dbraw/zinc/91/19/95/570911995.db2.gz	RIZDMTLSVZOFDD-OAHLLOKOSA-N	-1	3	356.520	4.636	50	0		FJAAHM
O=C(COC(=O)c1ccc([O-])cc1)c1c2ccccc2[nH]c1-c1ccccc1	ZINC000032942909	570914857	/nfs/dbraw/zinc/91/48/57/570914857.db2.gz	FTRUQNWVTAJOLU-UHFFFAOYSA-N	-1	3	371.392	4.580	50	0		FJAAHM
O=C(Nc1ncc(Cc2ccccc2)s1)c1cc(Cl)c(Cl)[n-]1	ZINC000025050393	570989606	/nfs/dbraw/zinc/98/96/06/570989606.db2.gz	FUEZQICYPFJBPD-UHFFFAOYSA-N	-1	3	352.246	4.621	50	0		FJAAHM
Cc1cc([O-])c(-c2cc(C(=O)Nc3ccccc3Cl)n[nH]2)cc1Cl	ZINC000072238530	570993462	/nfs/dbraw/zinc/99/34/62/570993462.db2.gz	PTSOQVKRNWGBAQ-UHFFFAOYSA-N	-1	3	362.216	4.650	50	0		FJAAHM
Cc1ccc(-c2cc(C(=O)[N-]c3nc4ccc(F)cc4s3)no2)cc1	ZINC000027662629	571017135	/nfs/dbraw/zinc/01/71/35/571017135.db2.gz	GFFYAMNSFMKMRR-UHFFFAOYSA-N	-1	3	353.378	4.651	50	0		FJAAHM
Cc1ccc(-c2csc3[n-]c(-c4ccc5cc[nH]c5n4)nc(=O)c23)cc1C	ZINC000225663520	571053674	/nfs/dbraw/zinc/05/36/74/571053674.db2.gz	KZMWXPYPTOKROD-UHFFFAOYSA-N	-1	3	372.453	4.812	50	0		FJAAHM
O=c1nc(COc2ccc(Cl)cc2)[n-]c2sc(-c3ccccc3)cc21	ZINC000063579579	571116087	/nfs/dbraw/zinc/11/60/87/571116087.db2.gz	CIKKMSVKHIJSTF-UHFFFAOYSA-N	-1	3	368.845	4.884	50	0		FJAAHM
Cc1ccc2[n-]cc(C(=O)N(Cc3ccccc3Cl)C(C)C)c(=O)c2c1	ZINC000055245037	571118342	/nfs/dbraw/zinc/11/83/42/571118342.db2.gz	AMQVJWBIHIXXNY-UHFFFAOYSA-N	-1	3	368.864	4.541	50	0		FJAAHM
O=C([O-])c1ccc(-n2cc(CNCc3ccccc3)c3ccccc32)s1	ZINC000009740879	571118507	/nfs/dbraw/zinc/11/85/07/571118507.db2.gz	KWTFRNMUAZSKBL-UHFFFAOYSA-N	-1	3	362.454	4.680	50	0		FJAAHM
O=C(c1ccccc1[O-])N1CCC(c2nc3cc(Cl)ccc3s2)CC1	ZINC000010235606	571124160	/nfs/dbraw/zinc/12/41/60/571124160.db2.gz	FSSPCADVBOZIRK-UHFFFAOYSA-N	-1	3	372.877	4.675	50	0		FJAAHM
O=C([N-]c1nc(-c2ccc(Oc3ccccc3)cc2)cs1)c1ccno1	ZINC000010253886	571124267	/nfs/dbraw/zinc/12/42/67/571124267.db2.gz	LUEBQSQQRQXSKD-UHFFFAOYSA-N	-1	3	363.398	4.843	50	0		FJAAHM
O=C(Nc1ccccc1[O-])c1cc2ccccc2n1Cc1ccccc1F	ZINC000058369683	571131712	/nfs/dbraw/zinc/13/17/12/571131712.db2.gz	LWULHSUDSJIYEV-UHFFFAOYSA-N	-1	3	360.388	4.787	50	0		FJAAHM
CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2F)cc1	ZINC000006316448	571177560	/nfs/dbraw/zinc/17/75/60/571177560.db2.gz	KGYVHBGSFGPXDO-UHFFFAOYSA-N	-1	3	372.259	4.512	50	0		FJAAHM
CCN(Cc1ccc(Cl)s1)Cc1nc2c3ccccc3oc2c(=O)[n-]1	ZINC000026854410	571199975	/nfs/dbraw/zinc/19/99/75/571199975.db2.gz	ZHCCAAKPODYHFV-UHFFFAOYSA-N	-1	3	373.865	4.819	50	0		FJAAHM
CCC(C)(C)[N-]S(=O)(=O)c1cc(-c2nc(C(C)(C)C)cs2)cs1	ZINC000033297792	571230872	/nfs/dbraw/zinc/23/08/72/571230872.db2.gz	NBDKNFRRZYSDMZ-UHFFFAOYSA-N	-1	3	372.581	4.636	50	0		FJAAHM
O=c1nc(CN2CCCc3ccccc32)[n-]c2sc(-c3ccccc3)cc21	ZINC000007285388	571263940	/nfs/dbraw/zinc/26/39/40/571263940.db2.gz	RLUBVAAGNIDMBL-UHFFFAOYSA-N	-1	3	373.481	4.604	50	0		FJAAHM
CCSc1nnc([N-]C(=O)c2sc3cccc(F)c3c2C)s1	ZINC000007667468	571285475	/nfs/dbraw/zinc/28/54/75/571285475.db2.gz	DJMSYTNQZQOJFR-UHFFFAOYSA-N	-1	3	353.469	4.565	50	0		FJAAHM
C[C@@H]1CCCC[C@H]1OCc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1	ZINC000095955450	571332861	/nfs/dbraw/zinc/33/28/61/571332861.db2.gz	OBWBPLIKWLIVAQ-CZUORRHYSA-N	-1	3	354.475	4.747	50	0		FJAAHM
O=c1nc(Cc2cccs2)[n-]c2scc(-c3ccccc3Cl)c21	ZINC000003308021	571347068	/nfs/dbraw/zinc/34/70/68/571347068.db2.gz	DLOPBPRLYVFTRV-UHFFFAOYSA-N	-1	3	358.875	4.957	50	0		FJAAHM
Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)c(Cl)c1	ZINC000003322495	571347368	/nfs/dbraw/zinc/34/73/68/571347368.db2.gz	XRAUEFDEIKTIJE-UHFFFAOYSA-N	-1	3	350.654	4.756	50	0		FJAAHM
CC1CCN(Cc2nc(=O)c3c(-c4ccccc4Cl)csc3[n-]2)CC1	ZINC000003571948	571351161	/nfs/dbraw/zinc/35/11/61/571351161.db2.gz	SXDIAAAPRJKRMU-UHFFFAOYSA-N	-1	3	373.909	4.537	50	0		FJAAHM
Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2Cl)cc1	ZINC000001065055	219363280	/nfs/dbraw/zinc/36/32/80/219363280.db2.gz	KFQUJMJPSRXFBR-UHFFFAOYSA-N	-1	3	350.654	4.756	50	0		FJAAHM
Cc1ccc(CN2C(=O)S/C(=C\c3cc(Cl)ccc3[O-])C2=O)cc1	ZINC000001131827	219376635	/nfs/dbraw/zinc/37/66/35/219376635.db2.gz	SZEJSGVAAIKVFE-SXGWCWSVSA-N	-1	3	359.834	4.591	50	0		FJAAHM
O=C(Cc1ccccc1)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1	ZINC000001207321	219389837	/nfs/dbraw/zinc/38/98/37/219389837.db2.gz	SQJUKJZGIZJWBS-UHFFFAOYSA-N	-1	3	360.438	4.850	50	0		FJAAHM
CC1CCN(Cn2nc(-c3cc(Cl)ccc3Cl)[n-]c2=S)CC1	ZINC000013071223	220056554	/nfs/dbraw/zinc/05/65/54/220056554.db2.gz	LCCWCIRQFQGJOS-UHFFFAOYSA-N	-1	3	357.310	4.604	50	0		FJAAHM
Cc1ccc2nc(NC(=O)c3c[n-]nc3-c3ccc(Cl)cc3)sc2c1	ZINC000010126686	207295487	/nfs/dbraw/zinc/29/54/87/207295487.db2.gz	DVQLXRQOGMCQRS-UHFFFAOYSA-N	-1	3	368.849	4.901	50	0		FJAAHM
Cc1ccc2nc(NC(=O)c3cn[n-]c3-c3ccc(Cl)cc3)sc2c1	ZINC000010126686	207295489	/nfs/dbraw/zinc/29/54/89/207295489.db2.gz	DVQLXRQOGMCQRS-UHFFFAOYSA-N	-1	3	368.849	4.901	50	0		FJAAHM
Cc1oc(-c2cccs2)nc1CSc1n[n-]c(-c2cccs2)n1	ZINC000010546134	207302843	/nfs/dbraw/zinc/30/28/43/207302843.db2.gz	CULKQEBBDJKCCM-UHFFFAOYSA-N	-1	3	360.489	4.850	50	0		FJAAHM
CC(C)c1csc(-c2csc(S(=O)(=O)[N-]C3CCCCC3)c2)n1	ZINC000033297712	208083492	/nfs/dbraw/zinc/08/34/92/208083492.db2.gz	MQYUQLJZVSULMX-UHFFFAOYSA-N	-1	3	370.565	4.606	50	0		FJAAHM
Cc1ccccc1-c1csc2[n-]c(CN(C)C3CCCCC3)nc(=O)c12	ZINC000036203870	208148955	/nfs/dbraw/zinc/14/89/55/208148955.db2.gz	ONCXSYZAMWRVJF-UHFFFAOYSA-N	-1	3	367.518	4.725	50	0		FJAAHM
Cc1cccc(COc2ccc(CNCc3ccc(C(=O)[O-])cc3)cc2)c1	ZINC000040722644	208264288	/nfs/dbraw/zinc/26/42/88/208264288.db2.gz	ZZWNQERAPBUENV-UHFFFAOYSA-N	-1	3	361.441	4.562	50	0		FJAAHM
Cc1c2cccc(F)c2oc1C(=O)Nc1ccc(Br)cc1[O-]	ZINC000048304224	221006696	/nfs/dbraw/zinc/00/66/96/221006696.db2.gz	RHGVEQCHWHLDGP-UHFFFAOYSA-N	-1	3	364.170	4.601	50	0		FJAAHM
CCc1ocnc1C(=O)[N-]c1ccccc1SCc1ccccc1F	ZINC000055403729	221069224	/nfs/dbraw/zinc/06/92/24/221069224.db2.gz	OTCXYILVNYGHCS-UHFFFAOYSA-N	-1	3	356.422	4.921	50	0		FJAAHM
O=C1C[C@H](c2ccccc2)CC2=Nc3nonc3[N-][C@H](c3cccs3)C12	ZINC000102839809	222310320	/nfs/dbraw/zinc/31/03/20/222310320.db2.gz	VWXPNFPDQMVROO-SJKOYZFVSA-N	-1	3	364.430	4.760	50	0		FJAAHM
Cc1c(C(=O)[O-])cccc1-c1ccc(CNCCc2ccc(Cl)cc2)o1	ZINC000020295574	525665196	/nfs/dbraw/zinc/66/51/96/525665196.db2.gz	UAACYTPZPRRSHU-UHFFFAOYSA-N	-1	3	369.848	4.939	50	0		FJAAHM
O=S(=O)([N-]c1ccc(Oc2ccc(Cl)cc2)cc1)c1ccccc1	ZINC000001042281	570475324	/nfs/dbraw/zinc/47/53/24/570475324.db2.gz	LAIKYMDCJOYFAB-UHFFFAOYSA-N	-1	3	359.834	4.933	50	0		FJAAHM
O=C([N-]c1nnc(C2CCCCC2)s1)c1cc(F)c(F)cc1Cl	ZINC000001440930	570499883	/nfs/dbraw/zinc/49/98/83/570499883.db2.gz	MYEMPHIFYDRPJG-UHFFFAOYSA-N	-1	3	357.813	4.770	50	0		FJAAHM
Cc1ccc(S(=O)(=O)[N-]c2ccc3oc4c(c3c2)C[C@@H](C)CC4)c(C)c1	ZINC000002184779	570516478	/nfs/dbraw/zinc/51/64/78/570516478.db2.gz	ZWQMDLFJERANKU-AWEZNQCLSA-N	-1	3	369.486	4.975	50	0		FJAAHM
COc1cc([C@@H]2CC(=O)Nc3ccc4ccccc4c32)cc(Cl)c1[O-]	ZINC000002885035	570542719	/nfs/dbraw/zinc/54/27/19/570542719.db2.gz	KUROBGYLPHCKRP-AWEZNQCLSA-N	-1	3	353.805	4.682	50	0		FJAAHM
Cc1ccc(-c2cc(C(=O)[N-]c3nc4ccc(F)cc4s3)no2)cc1F	ZINC000011915324	570601326	/nfs/dbraw/zinc/60/13/26/570601326.db2.gz	RFCLFIRFNSZHSK-UHFFFAOYSA-N	-1	3	371.368	4.790	50	0		FJAAHM
Cc1cc(NC(=O)c2ccco2)cc(-c2nc3ccccc3s2)c1[O-]	ZINC000004988478	570616697	/nfs/dbraw/zinc/61/66/97/570616697.db2.gz	KTAHBAXUJLLPBI-UHFFFAOYSA-N	-1	3	350.399	4.823	50	0		FJAAHM
CCc1ccc2oc(-c3cc(NC(=O)c4cccnc4)cc(C)c3[O-])nc2c1	ZINC000004988464	570616732	/nfs/dbraw/zinc/61/67/32/570616732.db2.gz	BCRFKNLILJPMAA-UHFFFAOYSA-N	-1	3	373.412	4.719	50	0		FJAAHM
O=C([N-]c1nonc1-c1ccccc1)c1sc2ccccc2c1Cl	ZINC000005451787	570657600	/nfs/dbraw/zinc/65/76/00/570657600.db2.gz	HIPDHQMDPALJRH-UHFFFAOYSA-N	-1	3	355.806	4.857	50	0		FJAAHM
O=c1nc(C(Cl)=Cc2cccnc2)[n-]c2scc(-c3cccs3)c21	ZINC000007489000	570664711	/nfs/dbraw/zinc/66/47/11/570664711.db2.gz	RHIIEYCQVMGUHC-GHXNOFRVSA-N	-1	3	371.874	4.845	50	0		FJAAHM
O=C([N-]c1ccc(Br)cc1F)c1cc(-c2cccs2)on1	ZINC000002802627	570673972	/nfs/dbraw/zinc/67/39/72/570673972.db2.gz	SRYWVXNNYQAJJE-UHFFFAOYSA-N	-1	3	367.199	4.557	50	0		FJAAHM
O=C(c1cccc(Cl)c1)[C@@H]1CCCN(Cc2ccc([O-])c(Cl)c2)C1	ZINC000012191936	570725910	/nfs/dbraw/zinc/72/59/10/570725910.db2.gz	UTKRXVLAJDCBIT-OAHLLOKOSA-N	-1	3	364.272	4.794	50	0		FJAAHM
Cc1nc(-c2ccccc2[N-]S(=O)(=O)/C=C/c2ccc(C)cc2)cs1	ZINC000206895441	570789154	/nfs/dbraw/zinc/78/91/54/570789154.db2.gz	ARUUTCSRZNFPRD-VAWYXSNFSA-N	-1	3	370.499	4.840	50	0		FJAAHM
Cc1ccccc1-c1nnc(-c2ccc(C(=O)Nc3ccccc3[O-])cc2)o1	ZINC000014337723	570817922	/nfs/dbraw/zinc/81/79/22/570817922.db2.gz	QWTZCXFHFFSALK-UHFFFAOYSA-N	-1	3	371.396	4.670	50	0		FJAAHM
O=c1[n-]c(Cc2ccccc2)nc2c1C1(CCCCC1)Cc1ccccc1-2	ZINC000017146794	570869891	/nfs/dbraw/zinc/86/98/91/570869891.db2.gz	LQSIOYHMEGHFFZ-UHFFFAOYSA-N	-1	3	356.469	4.786	50	0		FJAAHM
Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(F)c(C(F)(F)F)c2)c(C)c1	ZINC000020029797	570908553	/nfs/dbraw/zinc/90/85/53/570908553.db2.gz	LPCOWDFLKJNCRA-UHFFFAOYSA-N	-1	3	361.360	4.571	50	0		FJAAHM
CCC[C@@H]([N-]c1nc(-c2ccc(OC)c(OC)c2)no1)c1cccs1	ZINC000009726883	570947067	/nfs/dbraw/zinc/94/70/67/570947067.db2.gz	FSPIWQSNMYKLAU-CYBMUJFWSA-N	-1	3	359.451	4.769	50	0		FJAAHM
Cc1cccc(N(Cc2ccc(Cl)cc2Cl)c2nc([O-])cs2)c1	ZINC000024838973	570983897	/nfs/dbraw/zinc/98/38/97/570983897.db2.gz	YSIYDCBOAPYKSK-UHFFFAOYSA-N	-1	3	365.285	4.938	50	0		FJAAHM
CCc1ccc(O[C@@H](C)C(=O)[N-]c2cc(-c3ccc(C)cc3)no2)cc1	ZINC000008915203	571071802	/nfs/dbraw/zinc/07/18/02/571071802.db2.gz	SOCSMZIZGHSVIW-HNNXBMFYSA-N	-1	3	350.418	4.618	50	0		FJAAHM
COc1ccc(CN(Cc2ccsc2)Cc2ccco2)c(Cl)c1[O-]	ZINC000055225429	571118000	/nfs/dbraw/zinc/11/80/00/571118000.db2.gz	NBUZIRODNGNPGT-UHFFFAOYSA-N	-1	3	363.866	4.911	50	0		FJAAHM
O=c1[n-]n(C2CCCC2)c2c1[C@H](c1ccc(Cl)cc1Cl)CC(=O)N2	ZINC000071279828	571121072	/nfs/dbraw/zinc/12/10/72/571121072.db2.gz	FDKYGHALGUMVNN-LBPRGKRZSA-N	-1	3	366.248	4.722	50	0		FJAAHM
CCOCCn1cnc(-c2ccccc2)c1-c1ccc(OC)c([O-])c1Cl	ZINC000065417119	571143216	/nfs/dbraw/zinc/14/32/16/571143216.db2.gz	ONKZENZNPFOMEE-UHFFFAOYSA-N	-1	3	372.852	4.621	50	0		FJAAHM
C[C@@H](OC(=O)c1ccc(Cl)cc1[O-])C(=O)c1ccc(C(C)(C)C)cc1	ZINC000003361448	571181803	/nfs/dbraw/zinc/18/18/03/571181803.db2.gz	XFDKQBDLHLBHFA-GFCCVEGCSA-N	-1	3	360.837	4.771	50	0		FJAAHM
O=C1c2[n-]nc(-c3ccccc3)c2[C@@H](c2ccccc2)N1c1ccccc1	ZINC000003899678	571188762	/nfs/dbraw/zinc/18/87/62/571188762.db2.gz	TZCIQTXJNXQVIJ-JOCHJYFZSA-N	-1	3	351.409	4.827	50	0		FJAAHM
O=C1c2n[n-]c(-c3ccccc3)c2[C@@H](c2ccccc2)N1c1ccccc1	ZINC000003899678	571188763	/nfs/dbraw/zinc/18/87/63/571188763.db2.gz	TZCIQTXJNXQVIJ-JOCHJYFZSA-N	-1	3	351.409	4.827	50	0		FJAAHM
CC(C)C[C@H]1CC(=O)Oc2cc([O-])c3c(=O)c(-c4ccccc4)coc3c21	ZINC000524729371	571190862	/nfs/dbraw/zinc/19/08/62/571190862.db2.gz	QMBBQDBTDPTAOG-AWEZNQCLSA-N	-1	3	364.397	4.604	50	0		FJAAHM
O=C([N-]c1nc2ccc(Cl)cc2s1)c1cc(-c2ccccc2)on1	ZINC000007616104	571284260	/nfs/dbraw/zinc/28/42/60/571284260.db2.gz	GXFRRLXQPYQPCZ-UHFFFAOYSA-N	-1	3	355.806	4.857	50	0		FJAAHM
[O-]c1ccccc1-c1nc2c3c(ncn2n1)-c1ccccc1CC31CCCC1	ZINC000002373396	571320032	/nfs/dbraw/zinc/32/00/32/571320032.db2.gz	KHJBRCJAVJSXLW-UHFFFAOYSA-N	-1	3	368.440	4.532	50	0		FJAAHM
O=C(/C=C/c1ccc(Br)cc1)c1ccc([O-])c(CCCl)c1	ZINC000013004314	571322959	/nfs/dbraw/zinc/32/29/59/571322959.db2.gz	JPSMNOUCQWGALF-XVNBXDOJSA-N	-1	3	365.654	4.832	50	0		FJAAHM
Cc1c(CNCc2ccc(C)cc2)c(C(=O)[O-])c(C)n1-c1ccc(C)cc1	ZINC000021025163	571332239	/nfs/dbraw/zinc/33/22/39/571332239.db2.gz	MBXIHMIOWAZGRZ-UHFFFAOYSA-N	-1	3	362.473	4.699	50	0		FJAAHM
C[C@H]1CCCC[C@H]1OCc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1	ZINC000095955451	571332843	/nfs/dbraw/zinc/33/28/43/571332843.db2.gz	OBWBPLIKWLIVAQ-XJKSGUPXSA-N	-1	3	354.475	4.747	50	0		FJAAHM
[O-]c1c2c3ccccc3nc-2c(-c2ccc(F)cc2)nn1-c1ccccc1	ZINC000003030156	571343727	/nfs/dbraw/zinc/34/37/27/571343727.db2.gz	IHZCJYJACHKQLF-UHFFFAOYSA-N	-1	3	355.372	4.673	50	0		FJAAHM
O=c1c2c3ccccc3[n-]c2c(-c2ccc(F)cc2)nn1-c1ccccc1	ZINC000003030156	571343728	/nfs/dbraw/zinc/34/37/28/571343728.db2.gz	IHZCJYJACHKQLF-UHFFFAOYSA-N	-1	3	355.372	4.673	50	0		FJAAHM
COc1cccc(/C=C\c2nc(-c3ccccc3[O-])n(-c3ccccc3)n2)c1	ZINC000038175822	571359256	/nfs/dbraw/zinc/35/92/56/571359256.db2.gz	QDOBICTYGPRGJO-PFONDFGASA-N	-1	3	369.424	4.819	50	0		FJAAHM
COc1ccc(-c2cc(C(=O)Nc3ccccc3[O-])c3ccccc3n2)cc1	ZINC000000709083	219315137	/nfs/dbraw/zinc/31/51/37/219315137.db2.gz	MMTKTMZGLVMTAL-UHFFFAOYSA-N	-1	3	370.408	4.868	50	0		FJAAHM
Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)cc1	ZINC000000991965	219350862	/nfs/dbraw/zinc/35/08/62/219350862.db2.gz	LAVMAUDQBWHFHS-UHFFFAOYSA-N	-1	3	353.443	4.897	50	0		FJAAHM
Cc1cccc(/N=C2/NC(=O)/C(=C/c3c([O-])ccc4ccccc43)S2)c1	ZINC000001060839	219361359	/nfs/dbraw/zinc/36/13/59/219361359.db2.gz	XXUTZBPNJIRLRU-UNOMPAQXSA-N	-1	3	360.438	4.745	50	0		FJAAHM
Cc1ccc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c([O-])c1	ZINC000008378851	219861339	/nfs/dbraw/zinc/86/13/39/219861339.db2.gz	MJFYYEQQUAQQGN-UHFFFAOYSA-N	-1	3	363.257	4.991	50	0		FJAAHM
COc1ccc(-c2nsc([N-]C(=O)c3oc4ccccc4c3C)n2)cc1	ZINC000008614031	219864782	/nfs/dbraw/zinc/86/47/82/219864782.db2.gz	FJVMMZJFONRDIV-UHFFFAOYSA-N	-1	3	365.414	4.521	50	0		FJAAHM
Cc1ccc2nc([N-]C(=O)c3cc(-c4ccc(C)c(F)c4)on3)sc2c1	ZINC000011915198	219941777	/nfs/dbraw/zinc/94/17/77/219941777.db2.gz	JOVGRTRXVQCPED-UHFFFAOYSA-N	-1	3	367.405	4.960	50	0		FJAAHM
Cc1nc(COc2ccc(C)cc2)sc1C(=O)Nc1ccc(C)cc1[O-]	ZINC000012999646	220051040	/nfs/dbraw/zinc/05/10/40/220051040.db2.gz	DKJGSHATOYKTEQ-UHFFFAOYSA-N	-1	3	368.458	4.605	50	0		FJAAHM
CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)cc1	ZINC000014225114	220116983	/nfs/dbraw/zinc/11/69/83/220116983.db2.gz	MPEQGTZPPXWQHL-GFCCVEGCSA-N	-1	3	373.396	4.900	50	0		FJAAHM
CCc1ccc2c(c1)[C@H]1OCC[C@H]1[C@H](c1cc([O-])ccc1Br)N2	ZINC000015018267	220141466	/nfs/dbraw/zinc/14/14/66/220141466.db2.gz	UQOQGHMMYOSFTL-BKTGTZMESA-N	-1	3	374.278	4.962	50	0		FJAAHM
Cc1c(CNCc2cccs2)c(C(=O)[O-])c(C)n1Cc1ccccc1C	ZINC000015776774	220164199	/nfs/dbraw/zinc/16/41/99/220164199.db2.gz	VSKRLTKYRZNGLG-UHFFFAOYSA-N	-1	3	368.502	4.511	50	0		FJAAHM
COc1cc(Br)cc(/C=C/c2ccc3cccc([O-])c3n2)c1O	ZINC000004199155	207007511	/nfs/dbraw/zinc/00/75/11/207007511.db2.gz	GPCFTESENMCTSY-SOFGYWHQSA-N	-1	3	372.218	4.588	50	0		FJAAHM
CCCCOc1cc([O-])c(-c2n[nH]cc2-c2nc(C)cs2)cc1CC	ZINC000004807136	207050066	/nfs/dbraw/zinc/05/00/66/207050066.db2.gz	JSZNMSAOSSCBAW-UHFFFAOYSA-N	-1	3	357.479	4.956	50	0		FJAAHM
O=C(CSc1ccc(Br)cc1)Nc1cc(Cl)ccc1[O-]	ZINC000004820548	207051783	/nfs/dbraw/zinc/05/17/83/207051783.db2.gz	UPIJNLAGWZBSMY-UHFFFAOYSA-N	-1	3	372.671	4.539	50	0		FJAAHM
Cc1ccc(NC(=O)c2oc3ccccc3c2[N-]C(=O)c2ccco2)cc1	ZINC000005035560	207074904	/nfs/dbraw/zinc/07/49/04/207074904.db2.gz	FZLVIBJCTOQZIN-UHFFFAOYSA-N	-1	3	360.369	4.839	50	0		FJAAHM
CCCCc1ccc(Nc2nc([O-])c(Cc3ccc(OC)cc3)s2)cc1	ZINC000005869443	207120296	/nfs/dbraw/zinc/12/02/96/207120296.db2.gz	QEPPRLMSBLVGDM-IBGZPJMESA-N	-1	3	368.502	4.690	50	0		FJAAHM
O=C([N-]c1cc(-c2cccc(Cl)c2)no1)c1noc2c1CCCCC2	ZINC000007000107	207183486	/nfs/dbraw/zinc/18/34/86/207183486.db2.gz	RRZLQPBUQAOKCS-UHFFFAOYSA-N	-1	3	357.797	4.504	50	0		FJAAHM
C[C@H](c1nc(=O)c2c(-c3ccccc3)csc2[n-]1)N1CCCCCC1	ZINC000008134405	207220622	/nfs/dbraw/zinc/22/06/22/207220622.db2.gz	WZKIQJPBYVYBCM-CQSZACIVSA-N	-1	3	353.491	4.589	50	0		FJAAHM
Cc1ccc(-c2cc([N-]C(=O)[C@H](C)Oc3cc(C)cc(C)c3)on2)cc1	ZINC000009194910	207261338	/nfs/dbraw/zinc/26/13/38/207261338.db2.gz	OALDLQOCYHOJIG-INIZCTEOSA-N	-1	3	350.418	4.673	50	0		FJAAHM
CCOc1cc([C@H]2Nc3ccccc3C(=O)N2CC(C)C)cc(Cl)c1[O-]	ZINC000032666138	208036358	/nfs/dbraw/zinc/03/63/58/208036358.db2.gz	SLJDXBYNIOUXLT-IBGZPJMESA-N	-1	3	374.868	4.667	50	0		FJAAHM
[O-]c1ccc(Br)c([C@H]2Nc3ccc(F)cc3[C@H]3OCC[C@H]32)c1	ZINC000033271148	208080733	/nfs/dbraw/zinc/08/07/33/208080733.db2.gz	LPTQTHHWDLGXTC-GOPGUHFVSA-N	-1	3	364.214	4.538	50	0		FJAAHM
O=C([N-]c1nc(-c2ccccc2)ns1)c1cc(F)c(Cl)cc1Cl	ZINC000040122713	208231880	/nfs/dbraw/zinc/23/18/80/208231880.db2.gz	ZXLHFPJKBZXACW-UHFFFAOYSA-N	-1	3	368.220	4.903	50	0		FJAAHM
Cc1ccccc1COc1ccc(CNCc2ccc(C(=O)[O-])cc2)cc1	ZINC000040722701	208264919	/nfs/dbraw/zinc/26/49/19/208264919.db2.gz	SQYZZDLORHJPPC-UHFFFAOYSA-N	-1	3	361.441	4.562	50	0		FJAAHM
Cc1noc(-c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)c1C	ZINC000020580553	220335267	/nfs/dbraw/zinc/33/52/67/220335267.db2.gz	IVCJFBJBOBXGHN-UHFFFAOYSA-N	-1	3	370.474	4.685	50	0		FJAAHM
Cc1c2cc(F)ccc2oc1C(=O)[N-]c1nc(-c2ccc(C)cc2)ns1	ZINC000027992324	220554337	/nfs/dbraw/zinc/55/43/37/220554337.db2.gz	YVDMOVBLVYHSLB-UHFFFAOYSA-N	-1	3	367.405	4.960	50	0		FJAAHM
O=c1[n-]n(C2CCCCCCC2)c2c1[C@H](c1ccccc1)SCC(=O)N2	ZINC000095473014	209057559	/nfs/dbraw/zinc/05/75/59/209057559.db2.gz	YXYGIYNXKWSDQR-SFHVURJKSA-N	-1	3	371.506	4.886	50	0		FJAAHM
Cc1ccc(SCCN(C)Cc2c3cc(C)ccc3[nH]c2C(=O)[O-])cc1	ZINC000055244030	221062632	/nfs/dbraw/zinc/06/26/32/221062632.db2.gz	QUQFHVZTMMXBQK-UHFFFAOYSA-N	-1	3	368.502	4.707	50	0		FJAAHM
Cc1ccc(-c2csc3[n-]c(Cc4cc(F)cc(F)c4)nc(=O)c23)s1	ZINC000063836757	221144024	/nfs/dbraw/zinc/14/40/24/221144024.db2.gz	AFTFXUPRSZHYNK-UHFFFAOYSA-N	-1	3	374.437	4.891	50	0		FJAAHM
Cc1nn(C)cc1[C@@H]1SC(C)=Nc2c1c(=O)[n-]n2C1CCCCCCC1	ZINC000071288232	221340287	/nfs/dbraw/zinc/34/02/87/221340287.db2.gz	SCYOLSCOOKRVTF-KRWDZBQOSA-N	-1	3	373.526	4.802	50	0		FJAAHM
CC1=Nc2c(c(=O)[n-]n2[C@@H]2CCOC(C)(C)C2)[C@@H](C2CCCCC2)S1	ZINC000096117812	222033142	/nfs/dbraw/zinc/03/31/42/222033142.db2.gz	DIRCOVAOEBNQQC-GDBMZVCRSA-N	-1	3	363.527	4.725	50	0		FJAAHM
O=C([O-])c1ccc(COc2ccc(CN3CC[C@@H]3c3ccccc3)cc2)o1	ZINC000097394304	222178680	/nfs/dbraw/zinc/17/86/80/222178680.db2.gz	SVMNWRFAWRXQJP-HXUWFJFHSA-N	-1	3	363.413	4.504	50	0		FJAAHM
O=C(Nc1cc(C(F)(F)F)ccc1Cl)C(=S)[N-]C1CCCCC1	ZINC000001040896	570474976	/nfs/dbraw/zinc/47/49/76/570474976.db2.gz	BRUCYKHADSTRFO-UHFFFAOYSA-N	-1	3	364.820	4.547	50	0		FJAAHM
O=C([N-]c1nnc(C2CCCCC2)s1)c1ccc(Br)s1	ZINC000001055069	570477787	/nfs/dbraw/zinc/47/77/87/570477787.db2.gz	VOMVGESEQIDZMP-UHFFFAOYSA-N	-1	3	372.313	4.662	50	0		FJAAHM
O=C1c2[n-]nc(-c3ccccc3)c2[C@H](c2ccccc2F)N1c1ccccc1	ZINC000001198788	570491567	/nfs/dbraw/zinc/49/15/67/570491567.db2.gz	BLDCSXVURSRSQP-QFIPXVFZSA-N	-1	3	369.399	4.966	50	0		FJAAHM
O=C1c2n[n-]c(-c3ccccc3)c2[C@H](c2ccccc2F)N1c1ccccc1	ZINC000001198788	570491571	/nfs/dbraw/zinc/49/15/71/570491571.db2.gz	BLDCSXVURSRSQP-QFIPXVFZSA-N	-1	3	369.399	4.966	50	0		FJAAHM
O=c1c2ccccc2nc(/C=C/c2ccc(Cl)cc2)n1-c1ccccc1[O-]	ZINC000004828897	570518721	/nfs/dbraw/zinc/51/87/21/570518721.db2.gz	AYSBREIJFAMXSP-SDNWHVSQSA-N	-1	3	374.827	4.915	50	0		FJAAHM
O=S(=O)([N-]c1ccc(Oc2ccccc2)cc1)c1ccc(Cl)cc1	ZINC000002483700	570522208	/nfs/dbraw/zinc/52/22/08/570522208.db2.gz	XLGVIYMTBYCWIS-UHFFFAOYSA-N	-1	3	359.834	4.933	50	0		FJAAHM
CCCCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1	ZINC000002999064	570549408	/nfs/dbraw/zinc/54/94/08/570549408.db2.gz	PGXSXFKLTOEKDA-UHFFFAOYSA-N	-1	3	353.871	4.628	50	0		FJAAHM
COc1ccccc1Oc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1	ZINC000004289738	570583367	/nfs/dbraw/zinc/58/33/67/570583367.db2.gz	JGCILUUDJGILJC-UHFFFAOYSA-N	-1	3	369.442	4.597	50	0		FJAAHM
[O-]c1ccc2ccccc2c1C1=CN2C(c3ccccc3)=CSC2=NN1	ZINC000005735922	570634217	/nfs/dbraw/zinc/63/42/17/570634217.db2.gz	FCPUPHWVOZTAPY-UHFFFAOYSA-N	-1	3	357.438	4.765	50	0		FJAAHM
O=C([N-]c1ccsc1-c1nc(C2CC2)no1)c1nc2ccccc2s1	ZINC000206667392	570679381	/nfs/dbraw/zinc/67/93/81/570679381.db2.gz	PKCWYMPFSWTMPY-UHFFFAOYSA-N	-1	3	368.443	4.538	50	0		FJAAHM
CC(C)c1ccc(-c2nc(C(=O)[N-]c3nnc(C4CC4)s3)cs2)cc1	ZINC000024830819	570983084	/nfs/dbraw/zinc/98/30/84/570983084.db2.gz	VDWNJEKXCVBMDD-UHFFFAOYSA-N	-1	3	370.503	4.915	50	0		FJAAHM
Cc1noc(C)c1CSc1ccccc1C(=O)Nc1ccccc1[O-]	ZINC000024926640	570986046	/nfs/dbraw/zinc/98/60/46/570986046.db2.gz	UJOWVUPKKGWTNO-UHFFFAOYSA-N	-1	3	354.431	4.542	50	0		FJAAHM
Cc1c2cc(F)ccc2oc1C(=O)[N-]c1nonc1-c1ccc(C)c(C)c1	ZINC000027583009	571015212	/nfs/dbraw/zinc/01/52/12/571015212.db2.gz	OGRHPNRQQDVSKP-UHFFFAOYSA-N	-1	3	365.364	4.799	50	0		FJAAHM
CC(C)(C)c1ccc(OCC(=O)[N-]c2cc(-c3ccccc3)no2)cc1	ZINC000027664320	571018079	/nfs/dbraw/zinc/01/80/79/571018079.db2.gz	DLNFLCBJANFPSC-UHFFFAOYSA-N	-1	3	350.418	4.657	50	0		FJAAHM
CC(C)Oc1c(Cl)cc(CNCc2ccc(C(=O)[O-])cc2)cc1Cl	ZINC000040730735	571093904	/nfs/dbraw/zinc/09/39/04/571093904.db2.gz	OBKORABGSSCDCP-UHFFFAOYSA-N	-1	3	368.260	4.769	50	0		FJAAHM
Cc1ccc(NC(=O)CCc2ncc(-c3ccc(C)c(C)c3)o2)c([O-])c1	ZINC000009112720	571096755	/nfs/dbraw/zinc/09/67/55/571096755.db2.gz	STUJRLPRVKBJSN-UHFFFAOYSA-N	-1	3	350.418	4.544	50	0		FJAAHM
Cc1c(CNCc2cccs2)c(C(=O)[O-])c(C)n1Cc1cccc(C)c1	ZINC000015776790	571119997	/nfs/dbraw/zinc/11/99/97/571119997.db2.gz	XHKVIHDZZRVTRI-UHFFFAOYSA-N	-1	3	368.502	4.511	50	0		FJAAHM
CC(C)n1[n-]c(=O)c2c1NC(=O)C[C@H]2c1cccc(Oc2ccccc2)c1	ZINC000071279165	571120786	/nfs/dbraw/zinc/12/07/86/571120786.db2.gz	VANRPJQWKSAKIR-KRWDZBQOSA-N	-1	3	363.417	4.673	50	0		FJAAHM
O=S(=O)([N-][C@H]1CCSc2ccccc21)c1cc(Cl)ccc1Cl	ZINC000012924691	571145900	/nfs/dbraw/zinc/14/59/00/571145900.db2.gz	DPRJRBVUDWSAKV-ZDUSSCGKSA-N	-1	3	374.314	4.509	50	0		FJAAHM
Cc1cc([O-])c(-c2cc(C(=O)Nc3c(C)cccc3C)n[nH]2)cc1Cl	ZINC000072427497	571202105	/nfs/dbraw/zinc/20/21/05/571202105.db2.gz	YUSPEICNERDKNJ-UHFFFAOYSA-N	-1	3	355.825	4.613	50	0		FJAAHM
O=C([N-]c1nnc(-c2ccccc2Cl)s1)c1c(F)cccc1Cl	ZINC000004079071	571211041	/nfs/dbraw/zinc/21/10/41/571211041.db2.gz	FFFRXNLNXFVLGZ-UHFFFAOYSA-N	-1	3	368.220	4.903	50	0		FJAAHM
Cc1ccc(C)c(-c2csc3[n-]c(CN4CCCC[C@@H]4C)nc(=O)c23)c1	ZINC000036204126	571245116	/nfs/dbraw/zinc/24/51/16/571245116.db2.gz	YIZLHSWCXNLJFW-HNNXBMFYSA-N	-1	3	367.518	4.643	50	0		FJAAHM
Cc1ccc([C@H]2SCC(=O)Nc3c2c(=O)[n-]n3C2CCCCCC2)cc1	ZINC000006923596	571254802	/nfs/dbraw/zinc/25/48/02/571254802.db2.gz	QRUMXEGIJTVYDR-GOSISDBHSA-N	-1	3	371.506	4.567	50	0		FJAAHM
O=c1[n-]n(C2CCCCC2)c2c1[C@H](Cc1ccccc1)SCC(=O)N2	ZINC000080329867	571328906	/nfs/dbraw/zinc/32/89/06/571328906.db2.gz	CXOBLDXWOTVGAS-HNNXBMFYSA-N	-1	3	357.479	4.713	50	0		FJAAHM
Cc1cc(-c2ccc(C)c(S(=O)(=O)[N-]c3c(C)cc(C)cc3C)c2)on1	ZINC000020580229	571331281	/nfs/dbraw/zinc/33/12/81/571331281.db2.gz	SGSSLFBLXMXCAJ-UHFFFAOYSA-N	-1	3	370.474	4.685	50	0		FJAAHM
O=c1nc(Cc2ccc(Cl)cc2)[n-]c2scc(-c3cccs3)c21	ZINC000002643552	571339935	/nfs/dbraw/zinc/33/99/35/571339935.db2.gz	GPUYNCHFYKVZME-UHFFFAOYSA-N	-1	3	358.875	4.957	50	0		FJAAHM
CC[C@@H]1CCCCN1CCn1c(=O)c2sc3ccccc3c2[n-]c1=S	ZINC000002961723	571343024	/nfs/dbraw/zinc/34/30/24/571343024.db2.gz	RXEIHGFQHMHMFE-CYBMUJFWSA-N	-1	3	373.547	4.538	50	0		FJAAHM
[O-]c1ccccc1C1=N[C@H](c2ccccc2Cl)N[C@@H](c2cccnc2)C1	ZINC000058015067	571346898	/nfs/dbraw/zinc/34/68/98/571346898.db2.gz	HOJMUUVHDWJVAJ-WIYYLYMNSA-N	-1	3	363.848	4.663	50	0		FJAAHM
CC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3cc(C)c(C)cc3C)cc21	ZINC000002497149	209395602	/nfs/dbraw/zinc/39/56/02/209395602.db2.gz	ZVWGIFUALLARCL-UHFFFAOYSA-N	-1	3	371.458	4.670	50	0		FJAAHM
CC(=O)c1ccc(C(=O)[N-]c2ccccc2SCC(F)(F)F)s1	ZINC000012980279	220048561	/nfs/dbraw/zinc/04/85/61/220048561.db2.gz	ILFDYKCAAKRVPO-UHFFFAOYSA-N	-1	3	359.394	4.857	50	0		FJAAHM
O=C([O-])c1cccc(-c2ccc(CNCCc3ccc(Cl)cc3)o2)c1	ZINC000013690140	220087100	/nfs/dbraw/zinc/08/71/00/220087100.db2.gz	XBYHKGZMGKNZDE-UHFFFAOYSA-N	-1	3	355.821	4.631	50	0		FJAAHM
Cc1cccc(C)c1NC1=NC(=S)N(c2ccccc2[O-])C12CCCC2	ZINC000005813227	207118191	/nfs/dbraw/zinc/11/81/91/207118191.db2.gz	NYVXYAIMMDFVDW-UHFFFAOYSA-N	-1	3	365.502	4.937	50	0		FJAAHM
Cc1ccc(S(=O)(=O)[N-]c2ccc3oc4c(c3c2)C[C@H](C)CC4)c(C)c1	ZINC000006147435	207131926	/nfs/dbraw/zinc/13/19/26/207131926.db2.gz	ZWQMDLFJERANKU-CQSZACIVSA-N	-1	3	369.486	4.975	50	0		FJAAHM
Cc1ccc(-c2cc([N-]C(=O)COc3c(C)cc(C)cc3C)on2)cc1	ZINC000008612376	207239161	/nfs/dbraw/zinc/23/91/61/207239161.db2.gz	SNQCDVCZUXAMEH-UHFFFAOYSA-N	-1	3	350.418	4.593	50	0	aggregator	FJAAHM
CC[C@@H](Oc1ccc(F)cc1)C(=O)[N-]c1cc(-c2ccc(C)cc2)no1	ZINC000008612409	207239675	/nfs/dbraw/zinc/23/96/75/207239675.db2.gz	LZJMDZHAJLHOAY-GOSISDBHSA-N	-1	3	354.381	4.585	50	0		FJAAHM
Cc1csc(/C(=C\c2ccccc2)c2nc(-c3ccc([O-])cc3)no2)n1	ZINC000009604524	207278372	/nfs/dbraw/zinc/27/83/72/207278372.db2.gz	USVRZIFHYONCSC-BOPFTXTBSA-N	-1	3	361.426	4.796	50	0		FJAAHM
O=C(Nc1cccc(/C=C/c2ccc3cccc([O-])c3n2)c1)C(F)(F)F	ZINC000011330844	207312181	/nfs/dbraw/zinc/31/21/81/207312181.db2.gz	TTYPQWHNNZJVTF-VQHVLOKHSA-N	-1	3	358.319	4.612	50	0		FJAAHM
O=C(c1cccc(Cl)c1)[C@H]1CCCN(Cc2ccc([O-])c(Cl)c2)C1	ZINC000012191938	207346177	/nfs/dbraw/zinc/34/61/77/207346177.db2.gz	UTKRXVLAJDCBIT-HNNXBMFYSA-N	-1	3	364.272	4.794	50	0		FJAAHM
CCc1nnc([N-]C(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)s1	ZINC000009058781	522775362	/nfs/dbraw/zinc/77/53/62/522775362.db2.gz	JNRQQYVZZKOJIE-UHFFFAOYSA-N	-1	3	368.245	4.920	50	0		FJAAHM
Cc1c2cc(Cl)cc(Br)c2oc(=O)c1-c1ccc([O-])cc1	ZINC000002581722	560188261	/nfs/dbraw/zinc/18/82/61/560188261.db2.gz	BMZMHUHJOZDHJW-UHFFFAOYSA-N	-1	3	365.610	4.890	50	0	biogenic,in-vitro	FJAAHM
CCCCCOc1ccc(C(=O)CCC(=O)Nc2ccccc2[O-])cc1	ZINC000022024212	568197700	/nfs/dbraw/zinc/19/77/00/568197700.db2.gz	CBQJJQKRGIARMO-UHFFFAOYSA-N	-1	3	355.434	4.563	50	0		FJAAHM
COc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cc2)c(C)c1C	ZINC000002883087	570542772	/nfs/dbraw/zinc/54/27/72/570542772.db2.gz	VFDUVEBWBQVCKS-UHFFFAOYSA-N	-1	3	367.470	4.780	50	0		FJAAHM
O=C([N-]c1nnc(SC/C=C/c2ccccc2)s1)c1cccs1	ZINC000003612169	570566912	/nfs/dbraw/zinc/56/69/12/570566912.db2.gz	FGABNBRHCVHXGQ-XBXARRHUSA-N	-1	3	359.501	4.657	50	0		FJAAHM
Cc1cc2nc(-c3cc(NC(=O)c4ccco4)cc(C)c3[O-])oc2c(C)c1	ZINC000004988483	570616672	/nfs/dbraw/zinc/61/66/72/570616672.db2.gz	DYQKWXRLXZHHGH-UHFFFAOYSA-N	-1	3	362.385	4.971	50	0		FJAAHM
CSc1cccc2sc([N-]C(=O)c3nc4ccccc4s3)nc21	ZINC000005299233	570646992	/nfs/dbraw/zinc/64/69/92/570646992.db2.gz	GQOMYAIMOSKCJU-UHFFFAOYSA-N	-1	3	357.485	4.880	50	0		FJAAHM
CCCCSC1=NC(=O)C(C(c2ccccc2)c2ccccc2)C(=O)[N-]1	ZINC000009334999	570694233	/nfs/dbraw/zinc/69/42/33/570694233.db2.gz	CJKLSACDENASPL-UHFFFAOYSA-N	-1	3	366.486	4.548	50	0		FJAAHM
CC(=O)c1ccc(C(=O)[N-]c2nnc(-c3ccc(C(C)C)cc3)s2)s1	ZINC000012807149	570764325	/nfs/dbraw/zinc/76/43/25/570764325.db2.gz	HQMFJJUHEIOBKL-UHFFFAOYSA-N	-1	3	371.487	4.845	50	0		FJAAHM
O=S(=O)(Cc1ccc(Cl)cc1)[N-]c1cc(Cl)cc(Cl)c1	ZINC000014291451	570817135	/nfs/dbraw/zinc/81/71/35/570817135.db2.gz	ZLTKMCSOEYDDRU-UHFFFAOYSA-N	-1	3	350.654	4.589	50	0		FJAAHM
O=S(=O)([N-]c1ccccc1Cl)c1ccc(Cl)cc1C(F)(F)F	ZINC000016101127	570850491	/nfs/dbraw/zinc/85/04/91/570850491.db2.gz	FRNDRRNUSARYBT-UHFFFAOYSA-N	-1	3	370.179	4.813	50	0		FJAAHM
Cc1ccc(C(C)C)c(OCC(=O)[N-]c2cc(-c3ccc(F)cc3)no2)c1	ZINC000028287498	571029112	/nfs/dbraw/zinc/02/91/12/571029112.db2.gz	LPDKBSNFXIQNTM-UHFFFAOYSA-N	-1	3	368.408	4.930	50	0		FJAAHM
CC[C@H](Oc1ccc(F)cc1)C(=O)[N-]c1cc(-c2ccc(C)cc2)no1	ZINC000008612408	571052894	/nfs/dbraw/zinc/05/28/94/571052894.db2.gz	LZJMDZHAJLHOAY-SFHVURJKSA-N	-1	3	354.381	4.585	50	0		FJAAHM
Cc1cc([N-]C(=O)[C@H](C)Nc2ccc(Oc3ccccc3Cl)cc2)on1	ZINC000011085085	571057482	/nfs/dbraw/zinc/05/74/82/571057482.db2.gz	VGGNEGKWAKCYIB-ZDUSSCGKSA-N	-1	3	371.824	4.868	50	0		FJAAHM
O=C([N-]c1ccc(F)c(F)c1F)c1cc(-c2ccccc2Cl)on1	ZINC000040086752	571074031	/nfs/dbraw/zinc/07/40/31/571074031.db2.gz	NXAWHCALSMAZET-UHFFFAOYSA-N	-1	3	352.699	4.665	50	0		FJAAHM
CC(C)(C)c1ccc([O-])c(NC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)c1	ZINC000058380425	571131932	/nfs/dbraw/zinc/13/19/32/571131932.db2.gz	BTGDVQJKCNSIBG-UHFFFAOYSA-N	-1	3	355.482	4.771	50	0		FJAAHM
CCCCCCOc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1	ZINC000002477775	571235584	/nfs/dbraw/zinc/23/55/84/571235584.db2.gz	FZWRKMIJLHJJPA-UHFFFAOYSA-N	-1	3	351.443	4.586	50	0		FJAAHM
CCc1ccc(CNCc2c3ccc(C)cc3n(CC)c2C(=O)[O-])cc1	ZINC000006795396	571246839	/nfs/dbraw/zinc/24/68/39/571246839.db2.gz	CODONSYPUCEHTR-UHFFFAOYSA-N	-1	3	350.462	4.520	50	0		FJAAHM
CCCCOC(=O)NC([N-]c1ccccc1C)(C(F)(F)F)C(F)(F)F	ZINC000002566657	571339000	/nfs/dbraw/zinc/33/90/00/571339000.db2.gz	VXUFBRMIFFBGRW-UHFFFAOYSA-N	-1	3	372.309	4.754	50	0		FJAAHM
[O-]c1ccccc1C1=N[C@@H](c2ccccc2Cl)N[C@H](c2cccnc2)C1	ZINC000058015065	571346928	/nfs/dbraw/zinc/34/69/28/571346928.db2.gz	HOJMUUVHDWJVAJ-RXVVDRJESA-N	-1	3	363.848	4.663	50	0		FJAAHM
CCCCC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)c2ccc(C(C)(C)C)cc2)N1	ZINC000004009288	571353967	/nfs/dbraw/zinc/35/39/67/571353967.db2.gz	QIDKLQOBTVAGKR-GOSISDBHSA-N	-1	3	370.415	4.627	50	0		FJAAHM
O=C([N-]c1nnc(-c2ccc(Cl)c(Cl)c2)s1)c1cccs1	ZINC000004150928	571356246	/nfs/dbraw/zinc/35/62/46/571356246.db2.gz	IZZDJQUVLYMWSB-UHFFFAOYSA-N	-1	3	356.259	4.826	50	0		FJAAHM
[O-]c1ccc(-c2nn(CNc3ccc(Cl)c(Cl)c3)c(=S)o2)cc1	ZINC000001058284	219360668	/nfs/dbraw/zinc/36/06/68/219360668.db2.gz	SUVZGHVKRLBLAF-UHFFFAOYSA-N	-1	3	368.245	4.955	50	0		FJAAHM
Cc1ccccc1Oc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1	ZINC000001133047	219376810	/nfs/dbraw/zinc/37/68/10/219376810.db2.gz	SHPPJUNELKNSQF-UHFFFAOYSA-N	-1	3	357.406	4.727	50	0		FJAAHM
CCN(CC)c1ccc(Nc2nc(-c3ccc(O)cc3[O-])cs2)cc1	ZINC000001132253	219376823	/nfs/dbraw/zinc/37/68/23/219376823.db2.gz	BQIQWVUOBFNYHF-UHFFFAOYSA-N	-1	3	355.463	4.811	50	0		FJAAHM
O=C1[N-]C(=Cc2ccc(-c3ccccc3)o2)C(=O)N1c1cccc(Cl)c1	ZINC000001131590	219377381	/nfs/dbraw/zinc/37/73/81/219377381.db2.gz	KRHDNUYCOOTFSB-SFQUDFHCSA-N	-1	3	364.788	4.697	50	0		FJAAHM
Cc1ccc(-c2cc([N-]C(=O)[C@H](C)Oc3cccc(C)c3C)on2)cc1	ZINC000008915195	219871172	/nfs/dbraw/zinc/87/11/72/219871172.db2.gz	JSGLCPXLVFOKKS-INIZCTEOSA-N	-1	3	350.418	4.673	50	0		FJAAHM
O=C([O-])COc1ccc(-c2csc3ccccc32)cc1CN1CCCC1	ZINC000299790411	223099092	/nfs/dbraw/zinc/09/90/92/223099092.db2.gz	BOYCSLQKANTKFM-UHFFFAOYSA-N	-1	3	367.470	4.628	50	0		FJAAHM
O=C1C[C@@H](c2ccccc2)CC2=Nc3nonc3[N-][C@@H](c3cccs3)C12	ZINC000102839801	209242745	/nfs/dbraw/zinc/24/27/45/209242745.db2.gz	VWXPNFPDQMVROO-SJCJKPOMSA-N	-1	3	364.430	4.760	50	0		FJAAHM
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccccc1[O-]	ZINC000012952601	220046380	/nfs/dbraw/zinc/04/63/80/220046380.db2.gz	NSNFPCQGXWGWCG-UHFFFAOYSA-N	-1	3	363.200	4.915	50	0		FJAAHM
Cc1ccc2c(c1)[C@H]1OCC[C@H]1[C@H](c1cc([O-])ccc1Br)N2	ZINC000015018129	220141836	/nfs/dbraw/zinc/14/18/36/220141836.db2.gz	GTOYWROGMNOIQP-RZAIGCCYSA-N	-1	3	360.251	4.708	50	0		FJAAHM
Cc1scc(C(=O)[N-]c2nnc(C(F)(F)F)s2)c1-c1ccccc1	ZINC000004749753	207046949	/nfs/dbraw/zinc/04/69/49/207046949.db2.gz	FHHRQPQODFCVGD-UHFFFAOYSA-N	-1	3	369.393	4.846	50	0		FJAAHM
COc1cc(/C=C/c2ccc3cccc([O-])c3n2)c(Br)cc1O	ZINC000005102555	207079842	/nfs/dbraw/zinc/07/98/42/207079842.db2.gz	YOCHPEADEQUVAH-SOFGYWHQSA-N	-1	3	372.218	4.588	50	0		FJAAHM
CCCCCC[C@H](C)n1[n-]c(=O)c2c1NC(=O)CS[C@@H]2c1ccccc1	ZINC000005845593	207118498	/nfs/dbraw/zinc/11/84/98/207118498.db2.gz	NHESPHRLXRZYSN-KBXCAEBGSA-N	-1	3	373.522	4.895	50	0		FJAAHM
CCCCCC[C@H](C)n1[n-]c(=O)c2c1NC(=O)CS[C@H]2c1ccccc1	ZINC000005845584	207119217	/nfs/dbraw/zinc/11/92/17/207119217.db2.gz	NHESPHRLXRZYSN-KSSFIOAISA-N	-1	3	373.522	4.895	50	0		FJAAHM
C[C@H](Sc1nnc([N-]c2ccccc2F)s1)C(=O)c1ccccc1	ZINC000006175355	207132467	/nfs/dbraw/zinc/13/24/67/207132467.db2.gz	QQDZPCUJVLMJGU-NSHDSACASA-N	-1	3	359.451	4.784	50	0		FJAAHM
C[C@H](Sc1nnc([N-]c2ccccc2F)s1)C(=O)Nc1ccccc1	ZINC000006788167	207165381	/nfs/dbraw/zinc/16/53/81/207165381.db2.gz	JUCBTTQLRWWMOL-NSHDSACASA-N	-1	3	374.466	4.540	50	0		FJAAHM
Cc1ccc2c(CSc3n[n-]c(-c4cccs4)n3)cc(=O)oc2c1C	ZINC000008230777	207224497	/nfs/dbraw/zinc/22/44/97/207224497.db2.gz	IJKUPXZTFNLILF-UHFFFAOYSA-N	-1	3	369.471	4.549	50	0		FJAAHM
Cc1cc(C)c(C(=O)[C@H](C)Sc2n[n-]c(-c3cccs3)n2)cc1C	ZINC000008230775	207225132	/nfs/dbraw/zinc/22/51/32/207225132.db2.gz	RXIITCMZLDCRAO-ZDUSSCGKSA-N	-1	3	357.504	4.822	50	0		FJAAHM
O=c1[nH]c(-c2cc(Cc3ccccc3Cl)ccc2[O-])nc2ccccc12	ZINC000008767956	207248100	/nfs/dbraw/zinc/24/81/00/207248100.db2.gz	HBBSKNLFMCIGFS-UHFFFAOYSA-N	-1	3	362.816	4.540	50	0		FJAAHM
Cc1c2ccccc2oc1C(=O)[N-]c1nonc1-c1ccc2c(c1)CCCC2	ZINC000009530593	207275463	/nfs/dbraw/zinc/27/54/63/207275463.db2.gz	NPXCEBCZCHVPRH-UHFFFAOYSA-N	-1	3	373.412	4.922	50	0		FJAAHM
Cc1c2ccc(C)c(C)c2oc1C(=O)[N-]c1nonc1-c1cccs1	ZINC000009306635	207264689	/nfs/dbraw/zinc/26/46/89/207264689.db2.gz	HBGMEDCDRRIWHL-UHFFFAOYSA-N	-1	3	353.403	4.722	50	0		FJAAHM
Cc1ccc(Cl)c2sc([N-]C(=O)c3cc(-c4ccco4)on3)nc21	ZINC000036709487	207287495	/nfs/dbraw/zinc/28/74/95/207287495.db2.gz	XIUWTDDHXONTPC-UHFFFAOYSA-N	-1	3	359.794	4.758	50	0		FJAAHM
O=C(Nc1ccc(Oc2ccccc2Cl)cc1)c1ccc2n[n-]nc2c1	ZINC000011512661	207313808	/nfs/dbraw/zinc/31/38/08/207313808.db2.gz	MTZFYCWVSHGFAG-UHFFFAOYSA-N	-1	3	364.792	4.656	50	0		FJAAHM
S=c1[n-]nc([C@@H]2CCCN2Cc2ccccc2)n1-c1ccc(Cl)cc1	ZINC000019858296	220301333	/nfs/dbraw/zinc/30/13/33/220301333.db2.gz	NUBGPENOHGDBHU-KRWDZBQOSA-N	-1	3	370.909	4.547	50	0		FJAAHM
[O-]C(=NOCc1ccc(C(F)(F)F)cc1)Nc1nc2ccccc2s1	ZINC000096012671	209096370	/nfs/dbraw/zinc/09/63/70/209096370.db2.gz	YCOIPBMOLFYNRB-UHFFFAOYSA-N	-1	3	367.352	4.568	50	0		FJAAHM
O=C([N-]OCc1ccc(C(F)(F)F)cc1)Nc1nc2ccccc2s1	ZINC000096012671	209096372	/nfs/dbraw/zinc/09/63/72/209096372.db2.gz	YCOIPBMOLFYNRB-UHFFFAOYSA-N	-1	3	367.352	4.568	50	0		FJAAHM
CC1=Nc2c(c(=O)[n-]n2C2CCOCC2)[C@H](c2ccc(C(C)C)cc2)S1	ZINC000095472576	221917034	/nfs/dbraw/zinc/91/70/34/221917034.db2.gz	CPXMAAWEPKMEMB-SFHVURJKSA-N	-1	3	371.506	4.950	50	0		FJAAHM
O=c1c2ccccc2nc(/C=C/c2ccccc2Cl)n1-c1ccccc1[O-]	ZINC000006720782	568025383	/nfs/dbraw/zinc/02/53/83/568025383.db2.gz	UYTXUVRJZNSTPB-BUHFOSPRSA-N	-1	3	374.827	4.915	50	0		FJAAHM
Cc1ccc([N-]S(=O)(=O)c2ccc3[nH]c4c(c3c2)CCCC4)c(Cl)c1	ZINC000006929802	568116992	/nfs/dbraw/zinc/11/69/92/568116992.db2.gz	RRNZBOCCGIQIQU-UHFFFAOYSA-N	-1	3	374.893	4.809	50	0		FJAAHM
O=c1[n-]c(CN2CCC(Cc3ccccc3)CC2)nc2c3ccccc3oc21	ZINC000023698005	570543406	/nfs/dbraw/zinc/54/34/06/570543406.db2.gz	YWBLDQIKZZSQDJ-UHFFFAOYSA-N	-1	3	373.456	4.536	50	0		FJAAHM
O=C([N-]c1c2ccccc2oc1C(=O)Nc1ccccc1F)c1ccco1	ZINC000005035432	570578272	/nfs/dbraw/zinc/57/82/72/570578272.db2.gz	HVFWDWPEWJHYNB-UHFFFAOYSA-N	-1	3	364.332	4.670	50	0		FJAAHM
COc1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)cc1	ZINC000004289736	570583466	/nfs/dbraw/zinc/58/34/66/570583466.db2.gz	WSIPNGGJRBLSEF-UHFFFAOYSA-N	-1	3	369.442	4.597	50	0		FJAAHM
O=C1c2[n-]nc(-c3ccccc3)c2[C@@H](c2cccc(F)c2)N1c1ccccc1	ZINC000004312506	570584472	/nfs/dbraw/zinc/58/44/72/570584472.db2.gz	UTOIMBUDMVVBPN-JOCHJYFZSA-N	-1	3	369.399	4.966	50	0		FJAAHM
O=C1c2n[n-]c(-c3ccccc3)c2[C@@H](c2cccc(F)c2)N1c1ccccc1	ZINC000004312506	570584475	/nfs/dbraw/zinc/58/44/75/570584475.db2.gz	UTOIMBUDMVVBPN-JOCHJYFZSA-N	-1	3	369.399	4.966	50	0		FJAAHM
O=C(/C=C/c1cccc([N+](=O)[O-])c1)c1nc2cc(Cl)c(Cl)cc2[n-]1	ZINC000005401098	570626354	/nfs/dbraw/zinc/62/63/54/570626354.db2.gz	MWTXITYMCJQVRO-SNAWJCMRSA-N	-1	3	362.172	4.674	50	0		FJAAHM
S=c1[n-]nc(COc2ccc(-c3ccccc3)cc2)n1-c1ccccc1	ZINC000005557305	570630689	/nfs/dbraw/zinc/63/06/89/570630689.db2.gz	YMTCAUNMUYRNKD-UHFFFAOYSA-N	-1	3	359.454	4.802	50	0		FJAAHM
Cc1ccc(S(=O)(=O)[N-]c2ccc3oc4c(c3c2)CC[C@H](C)C4)c(C)c1	ZINC000005214447	570635784	/nfs/dbraw/zinc/63/57/84/570635784.db2.gz	GTUHIOCHOSZVKE-AWEZNQCLSA-N	-1	3	369.486	4.975	50	0		FJAAHM
O=C1c2[n-]nc(-c3ccccc3)c2[C@H](c2ccc(F)cc2)N1c1ccccc1	ZINC000005248645	570639049	/nfs/dbraw/zinc/63/90/49/570639049.db2.gz	HQGIHEHYJOSVLC-QFIPXVFZSA-N	-1	3	369.399	4.966	50	0		FJAAHM
O=C1c2n[n-]c(-c3ccccc3)c2[C@H](c2ccc(F)cc2)N1c1ccccc1	ZINC000005248645	570639051	/nfs/dbraw/zinc/63/90/51/570639051.db2.gz	HQGIHEHYJOSVLC-QFIPXVFZSA-N	-1	3	369.399	4.966	50	0		FJAAHM
CC[C@@H](Oc1ccccc1F)C(=O)[N-]c1cc(-c2ccc(C)cc2)no1	ZINC000005451534	570658428	/nfs/dbraw/zinc/65/84/28/570658428.db2.gz	LGEPDZOLOMRDIO-QGZVFWFLSA-N	-1	3	354.381	4.585	50	0		FJAAHM
O=c1[n-]nc(-c2ccc3ccccc3c2)c2cn(-c3cccc(Cl)c3)nc21	ZINC000005635606	570683288	/nfs/dbraw/zinc/68/32/88/570683288.db2.gz	RSORUBUMOCCSBW-UHFFFAOYSA-N	-1	3	372.815	4.582	50	0		FJAAHM
O=C([N-]c1nc2ccc(F)cc2s1)c1cc(-c2ccc(Cl)cc2)on1	ZINC000011915763	570711197	/nfs/dbraw/zinc/71/11/97/570711197.db2.gz	NXHKFKWHBITWFL-UHFFFAOYSA-N	-1	3	373.796	4.996	50	0		FJAAHM
CCOC(=O)c1[n-]nc(-c2ccc(-c3ccccc3)cc2)c1Br	ZINC000012413633	570743449	/nfs/dbraw/zinc/74/34/49/570743449.db2.gz	CQFLACLDICHWIT-UHFFFAOYSA-N	-1	3	371.234	4.683	50	0		FJAAHM
CCOC(=O)c1n[n-]c(-c2ccc(-c3ccccc3)cc2)c1Br	ZINC000012413633	570743451	/nfs/dbraw/zinc/74/34/51/570743451.db2.gz	CQFLACLDICHWIT-UHFFFAOYSA-N	-1	3	371.234	4.683	50	0		FJAAHM
Cc1cc2nc(-c3cc(NC(=O)c4ccco4)cc(C)c3[O-])oc2cc1C	ZINC000008990560	570797227	/nfs/dbraw/zinc/79/72/27/570797227.db2.gz	KGJYMMKYKQHWOP-UHFFFAOYSA-N	-1	3	362.385	4.971	50	0		FJAAHM
O=S(=O)([N-][C@H]1CCSc2ccccc21)c1ccc(Cl)c(Cl)c1	ZINC000015517281	570839728	/nfs/dbraw/zinc/83/97/28/570839728.db2.gz	CUUHQCJIMMGGQK-AWEZNQCLSA-N	-1	3	374.314	4.509	50	0		FJAAHM
O=S(=O)([N-]c1cccc(Cl)c1Cl)c1ccc(C(F)(F)F)cc1	ZINC000016129629	570851072	/nfs/dbraw/zinc/85/10/72/570851072.db2.gz	SHMYCHAGJWYARV-UHFFFAOYSA-N	-1	3	370.179	4.813	50	0		FJAAHM
Cc1sc2[n-]c(CN3CCC(C)CC3)nc(=O)c2c1-c1ccc(C)cc1	ZINC000008344743	571041978	/nfs/dbraw/zinc/04/19/78/571041978.db2.gz	GKTQNRLLLLYTKK-UHFFFAOYSA-N	-1	3	367.518	4.500	50	0		FJAAHM
Cc1cccc(COc2cccc(CNCc3ccc(C(=O)[O-])cc3)c2)c1	ZINC000040738136	571095133	/nfs/dbraw/zinc/09/51/33/571095133.db2.gz	VFNVJQOQPDXDMA-UHFFFAOYSA-N	-1	3	361.441	4.562	50	0		FJAAHM
C[C@H](c1nc(=O)c2c(-c3ccccc3)csc2[n-]1)N1CCc2ccccc21	ZINC000009157540	571099682	/nfs/dbraw/zinc/09/96/82/571099682.db2.gz	YSJVNMHEINBUTM-CQSZACIVSA-N	-1	3	373.481	4.775	50	0		FJAAHM
Cc1ccc(O[C@@H](C)C(=O)[N-]c2cc(-c3ccc(F)c(F)c3)no2)cc1C	ZINC000009250587	571102481	/nfs/dbraw/zinc/10/24/81/571102481.db2.gz	VAPGTFGIYUFBGL-ZDUSSCGKSA-N	-1	3	372.371	4.643	50	0		FJAAHM
COc1cccc([C@@H]2SC(C)=Nc3c2c(=O)[n-]n3C2CCCCC2)c1	ZINC000085411882	571113388	/nfs/dbraw/zinc/11/33/88/571113388.db2.gz	WBXBVZZDNHORAW-KRWDZBQOSA-N	-1	3	357.479	4.576	50	0		FJAAHM
O=S(=O)([N-][C@@H]1CCSc2ccccc21)c1cccc(Cl)c1Cl	ZINC000012893580	571142379	/nfs/dbraw/zinc/14/23/79/571142379.db2.gz	YBBHURAIBBGKSX-GFCCVEGCSA-N	-1	3	374.314	4.509	50	0		FJAAHM
O=C([N-]c1nnc(-c2ccc(C(F)(F)F)cc2)o1)c1cc2ccccc2o1	ZINC000035586391	571182887	/nfs/dbraw/zinc/18/28/87/571182887.db2.gz	KTBIYKDJQIUKEC-UHFFFAOYSA-N	-1	3	373.290	4.754	50	0		FJAAHM
Fc1cnc(Br)c2[n-]c(-c3c(Cl)cccc3Cl)nc21	ZINC000079058101	571217158	/nfs/dbraw/zinc/21/71/58/571217158.db2.gz	VKOGJQLJHQFCSW-UHFFFAOYSA-N	-1	3	361.001	4.833	50	0		FJAAHM
Fc1cnc(Br)c2nc(-c3c(Cl)cccc3Cl)[n-]c21	ZINC000079058101	571217162	/nfs/dbraw/zinc/21/71/62/571217162.db2.gz	VKOGJQLJHQFCSW-UHFFFAOYSA-N	-1	3	361.001	4.833	50	0		FJAAHM
Fc1c[n-]c(Br)c2nc(-c3c(Cl)cccc3Cl)nc1-2	ZINC000079058101	571217164	/nfs/dbraw/zinc/21/71/64/571217164.db2.gz	VKOGJQLJHQFCSW-UHFFFAOYSA-N	-1	3	361.001	4.833	50	0		FJAAHM
O=C(NCCCOC1CCCCC1)c1ccc(-c2cccc(F)c2[O-])cc1	ZINC000426470850	571226746	/nfs/dbraw/zinc/22/67/46/571226746.db2.gz	RRZXMWUDTHUDOP-UHFFFAOYSA-N	-1	3	371.452	4.668	50	0		FJAAHM
O=C([N-]c1nonc1-c1ccc(F)cc1)c1sc2ccccc2c1Cl	ZINC000006662215	571240013	/nfs/dbraw/zinc/24/00/13/571240013.db2.gz	CKHOTZRBIXBDST-UHFFFAOYSA-N	-1	3	373.796	4.996	50	0		FJAAHM
O=C([N-]c1nnc(SCc2ccccc2)s1)c1cc2ccccc2o1	ZINC000006935681	571255217	/nfs/dbraw/zinc/25/52/17/571255217.db2.gz	FWTGONWCOMQMRM-UHFFFAOYSA-N	-1	3	367.455	4.829	50	0		FJAAHM
COc1ccc(C(C)=NNc2cc(C)c3cc(Cl)ccc3n2)c([O-])c1	ZINC000252475186	571279693	/nfs/dbraw/zinc/27/96/93/571279693.db2.gz	VLRKDUSODQWLTQ-UHFFFAOYSA-N	-1	3	355.825	4.747	50	0		FJAAHM
Cc1ccc(C)c(CSc2nc3c(-c4ccccc4)c[nH]c3c(=O)[n-]2)c1	ZINC000021883817	571336100	/nfs/dbraw/zinc/33/61/00/571336100.db2.gz	LEDOALWHVYBXOK-UHFFFAOYSA-N	-1	3	361.470	4.827	50	0		FJAAHM
[O-]c1ccccc1C1=N[C@H](c2ccccc2Cl)N[C@H](c2cccnc2)C1	ZINC000058015064	571346932	/nfs/dbraw/zinc/34/69/32/571346932.db2.gz	HOJMUUVHDWJVAJ-GHTZIAJQSA-N	-1	3	363.848	4.663	50	0		FJAAHM