smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)cc1Br	ZINC000024602415	727853485	/nfs/dbraw/zinc/85/34/85/727853485.db2.gz	JBLQMOIXKVZQDO-SJDLMVEWSA-N	-1	1	365.179	2.686	50	30		FFEAMM
Cc1c([N+](=O)[O-])c(C(=O)[N-]c2sc3c(c2C#N)CC[C@@H](C)C3)nn1C	ZINC000002782496	204057123	/nfs/dbraw/zinc/05/71/23/204057123.db2.gz	XOFUZPWNRGSEFK-MRVPVSSYSA-N	-1	1	359.411	2.947	50	30		FFEAMM
N#Cc1ccccc1-c1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)o1	ZINC000009234770	204359093	/nfs/dbraw/zinc/35/90/93/204359093.db2.gz	QUFBCEBHGUHEIM-SOFGYWHQSA-N	-1	1	350.290	2.686	50	30		FFEAMM
C=CCN1C(=O)/C(=C\c2ccc(N3CCCCCC3)cc2)C(=O)[N-]C1=S	ZINC000005158551	506425655	/nfs/dbraw/zinc/42/56/55/506425655.db2.gz	LYTZXYNXDOVUHL-VKAVYKQESA-N	-1	1	369.490	2.880	50	30		FFEAMM
C/C(=N\N=C1/NC(=O)C(CC(=O)[O-])S1)c1ccc(OCC(C)C)cc1	ZINC000005461934	204211152	/nfs/dbraw/zinc/21/11/52/204211152.db2.gz	NAJLIGAGWHNXGW-YRIIZNAFSA-N	-1	1	363.439	2.508	50	30		FFEAMM
CCCc1cc(=O)[n-]c(SCC(=O)Nc2sc3c(c2C#N)CCC3)n1	ZINC000009645423	204376600	/nfs/dbraw/zinc/37/66/00/204376600.db2.gz	YARPGMCVOVAWLP-UHFFFAOYSA-N	-1	1	374.491	2.875	50	30		FFEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(OCC)cc1)CC(=O)N2	ZINC000004944383	206185506	/nfs/dbraw/zinc/18/55/06/206185506.db2.gz	WESMSCTZOZALAU-CYBMUJFWSA-N	-1	1	357.435	2.921	50	30		FFEAMM
N#CCc1ccc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1	ZINC000001061442	506245678	/nfs/dbraw/zinc/24/56/78/506245678.db2.gz	INFKSRLTQWNLNS-UHFFFAOYSA-N	-1	1	355.419	2.680	50	30		FFEAMM
COc1ccc(/C=C\C(=O)c2ccccc2[N-]S(C)(=O)=O)cc1OC	ZINC000222272079	509312341	/nfs/dbraw/zinc/31/23/41/509312341.db2.gz	JLBYWXHQYQKGEP-NTMALXAHSA-N	-1	1	361.419	2.971	50	30		FFEAMM
CCOc1cc2c(cc1C=CC(=O)c1c([O-])cc(C)oc1=O)O[C@@H](C)C2	ZINC000103337968	970114196	/nfs/dbraw/zinc/11/41/96/970114196.db2.gz	OBCVPHNYJUUJRL-YXGNIWEZSA-N	-1	1	356.374	2.637	50	30		FFEAMM
N#Cc1cccc([C@H](Nc2ccc3c(c2)NC(=O)CO3)[P@@](=O)([O-])O)c1	ZINC000328593095	223116146	/nfs/dbraw/zinc/11/61/46/223116146.db2.gz	DJPTYKHMZDBLOB-MRXNPFEDSA-N	-1	1	359.278	2.827	50	30		FFEAMM
Cc1ccc([O-])c(C(=O)c2cnn(C(=O)COc3ccccc3C#N)c2)c1	ZINC000002652835	204048517	/nfs/dbraw/zinc/04/85/17/204048517.db2.gz	XSZQROXKEHVYJQ-UHFFFAOYSA-N	-1	1	361.357	2.719	50	30		FFEAMM
CN1c2ccsc2C(=O)/C(=N\[N-]c2ccc(Cl)cc2)S1(=O)=O	ZINC000004697017	204155875	/nfs/dbraw/zinc/15/58/75/204155875.db2.gz	OZMVDOREBOZLHR-DTQAZKPQSA-N	-1	1	355.828	2.789	50	30		FFEAMM
CSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(C#N)cc1)C1=C(CCCC1=O)N2	ZINC000005490065	204210784	/nfs/dbraw/zinc/21/07/84/204210784.db2.gz	NRPRLQDRXRBNQR-AWEZNQCLSA-N	-1	1	364.430	2.928	50	30		FFEAMM
O=C(c1ccco1)C1=C([O-])C(=O)N(c2ncccn2)[C@H]1c1cccs1	ZINC000008743138	204342031	/nfs/dbraw/zinc/34/20/31/204342031.db2.gz	DTPDDQVDXNRODJ-ZDUSSCGKSA-N	-1	1	353.359	2.914	50	30		FFEAMM
NC(=O)c1cc(C2=NN/C(=N\c3ccccc3Cl)SC2)ccc1[O-]	ZINC000015404883	206316236	/nfs/dbraw/zinc/31/62/36/206316236.db2.gz	SEHXKZWTPGKUBO-UHFFFAOYSA-N	-1	1	360.826	2.873	50	30		FFEAMM
C=CCN1C(=O)/C(=C/c2ccc(O[C@@H](C)CC)c(OC)c2)C(=O)[N-]C1=S	ZINC000001154679	506251493	/nfs/dbraw/zinc/25/14/93/506251493.db2.gz	HAIOJKTTZGAVPL-LQELWAHVSA-N	-1	1	374.462	2.685	50	30		FFEAMM
Cc1cc2c(c(C)c1)NC(=O)C2=N[N-]c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000006903328	506515510	/nfs/dbraw/zinc/51/55/10/506515510.db2.gz	VHSCMFWETVBLFX-UHFFFAOYSA-N	-1	1	355.310	2.888	50	30		FFEAMM
Cc1cc([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)ccn1	ZINC000225713509	509385777	/nfs/dbraw/zinc/38/57/77/509385777.db2.gz	VXDUUVOWRRLNCP-UHFFFAOYSA-N	-1	1	352.213	2.825	50	30		FFEAMM
Cc1cc([O-])c(C(=O)C=Cc2cc(Br)ccc2F)c(=O)o1	ZINC000023641522	727847931	/nfs/dbraw/zinc/84/79/31/727847931.db2.gz	WCRGOHCUFLDOLV-IWZWCOEHSA-N	-1	1	353.143	2.816	50	30		FFEAMM
COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)c(C#N)c1	ZINC000010514858	206279459	/nfs/dbraw/zinc/27/94/59/206279459.db2.gz	CHMJTFJEZAJCBC-UHFFFAOYSA-N	-1	1	366.782	2.719	50	30		FFEAMM
COC(=O)c1ccc(/C=C2\Oc3c(ccc([O-])c3CN(C)C)C2=O)cc1	ZINC000013653849	506949677	/nfs/dbraw/zinc/94/96/77/506949677.db2.gz	FUJJZSAXFKBQJA-YVLHZVERSA-N	-1	1	353.374	2.857	50	30		FFEAMM
CCSc1nc2c(c(=O)[n-]1)[C@@H](c1cccnc1)C1=C(CCCC1=O)N2	ZINC000000959814	203967773	/nfs/dbraw/zinc/96/77/73/203967773.db2.gz	PBTAOTCVFDCJLX-ZDUSSCGKSA-N	-1	1	354.435	2.841	50	30		FFEAMM
O=C(c1ccco1)C1=C([O-])C(=O)N(c2ncccn2)[C@H]1c1ccccc1F	ZINC000001153999	506252392	/nfs/dbraw/zinc/25/23/92/506252392.db2.gz	MLTBKXNVJIGXFF-HNNXBMFYSA-N	-1	1	365.320	2.992	50	30		FFEAMM
Cc1cccc(C)c1/N=C1\NN=C(c2ccc([O-])c(C(N)=O)c2)CS1	ZINC000012644916	506887862	/nfs/dbraw/zinc/88/78/62/506887862.db2.gz	XWFRKZGQTJBIBP-UHFFFAOYSA-N	-1	1	354.435	2.836	50	30		FFEAMM
C=C(C)CN(CC)C(=O)CSc1nc([O-])cc(=O)n1C1CCCC1	ZINC000012925210	506916308	/nfs/dbraw/zinc/91/63/08/506916308.db2.gz	PHEYMBNKEVLPNN-UHFFFAOYSA-N	-1	1	351.472	2.581	50	30		FFEAMM
COc1ccc([C@H]2c3c(nc(N)[n-]c3=O)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000016975213	507110898	/nfs/dbraw/zinc/11/08/98/507110898.db2.gz	FTDLQJXJDYEQCM-CQSZACIVSA-N	-1	1	366.421	2.561	50	30		FFEAMM
Cc1cc([O-])c(C(=O)C=Cc2cc(Cl)c3c(c2)OCCCO3)c(=O)o1	ZINC000024084039	507390945	/nfs/dbraw/zinc/39/09/45/507390945.db2.gz	QCCQSROABYSHCM-QDLOVBKTSA-N	-1	1	362.765	2.730	50	30		FFEAMM
Cc1cc([O-])c(C(=O)C=Cc2cc(Cl)c3c(c2)OCCCO3)c(=O)o1	ZINC000048520979	728052298	/nfs/dbraw/zinc/05/22/98/728052298.db2.gz	QCCQSROABYSHCM-MJSXRHKHSA-N	-1	1	362.765	2.730	50	30		FFEAMM
Cc1cc([O-])c(C(=O)C=Cc2ccc(F)c(Br)c2)c(=O)o1	ZINC000048520680	728052536	/nfs/dbraw/zinc/05/25/36/728052536.db2.gz	AQWWBRBVGFZMMC-MFBWXBCUSA-N	-1	1	353.143	2.816	50	30		FFEAMM
CCn1cnnc1-c1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1	ZINC000032096178	506230098	/nfs/dbraw/zinc/23/00/98/506230098.db2.gz	HDQIHLPBIQOFBY-UHFFFAOYSA-N	-1	1	353.407	2.637	50	30		FFEAMM
C=CCN1C(=O)/C(=C/c2ccc(OC)c3ccccc23)C(=O)[N-]C1=S	ZINC000001202128	506254591	/nfs/dbraw/zinc/25/45/91/506254591.db2.gz	TVRDLKLDSPUJQT-RVDMUPIBSA-N	-1	1	352.415	2.661	50	30		FFEAMM
COc1ccc([C@H]2C3=C(Nc4nc(N)[n-]c(=O)c42)c2ccccc2C3=O)cc1	ZINC000002431375	204038702	/nfs/dbraw/zinc/03/87/02/204038702.db2.gz	FALNPNWWOLJMAK-AWEZNQCLSA-N	-1	1	372.384	2.526	50	30		FFEAMM
C=CCN1C(=O)/C(=C\c2cc(C)n(-c3ccccc3)c2C)C(=O)[N-]C1=S	ZINC000000977613	506242550	/nfs/dbraw/zinc/24/25/50/506242550.db2.gz	LBZIHPYGVDXNMB-ATVHPVEESA-N	-1	1	365.458	2.907	50	30		FFEAMM
CC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1	ZINC000022960046	507320934	/nfs/dbraw/zinc/32/09/34/507320934.db2.gz	LDRVWHPLMMRQQS-UHFFFAOYSA-N	-1	1	357.435	2.887	50	30		FFEAMM
CCC([O-])=CC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)OC	ZINC000100117012	508238494	/nfs/dbraw/zinc/23/84/94/508238494.db2.gz	FFOIJJALOMHBBR-UHFFFAOYSA-N	-1	1	358.181	2.639	50	30		FFEAMM
C=CCOC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)c2c([n-][nH]c2=O)C[C@@]1(C)O	ZINC000101329432	508241458	/nfs/dbraw/zinc/24/14/58/508241458.db2.gz	LUAULMSEBPVYAT-QIIPPGSGSA-N	-1	1	362.813	2.553	50	30		FFEAMM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2cccnc2)o1	ZINC000102482108	508276700	/nfs/dbraw/zinc/27/67/00/508276700.db2.gz	XQQAILFBQIPCTN-UYTDBDHRSA-N	-1	1	365.345	2.906	50	30		FFEAMM
COc1ccc(-n2c([O-])c(C=Nc3ccccc3Cl)c(=O)[nH]c2=O)cc1	ZINC000101760773	570823167	/nfs/dbraw/zinc/82/31/67/570823167.db2.gz	YYPDEPOGXYLNGA-JMIUGGIZSA-N	-1	1	371.780	2.644	50	30		FFEAMM
O=C([O-])COc1ccccc1C=Nn1c(=S)[nH]nc1-c1ccccc1	ZINC000001478050	204009535	/nfs/dbraw/zinc/00/95/35/204009535.db2.gz	HLOSHADYHWSPDM-VCHYOVAHSA-N	-1	1	354.391	2.953	50	30		FFEAMM
O=C([O-])CCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@@H]1c1ccccc1	ZINC000005484039	204211396	/nfs/dbraw/zinc/21/13/96/204211396.db2.gz	UPQVDYBLATZHIX-GHNGSUTGSA-N	-1	1	365.385	2.973	50	30		FFEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@H](c1cccc(OC)c1OC)CC(=O)N2	ZINC000004944322	206185598	/nfs/dbraw/zinc/18/55/98/206185598.db2.gz	MSCQOPPUICXKGU-NSHDSACASA-N	-1	1	373.434	2.539	50	30		FFEAMM
CCCn1c2ccc([N-]S(=O)(=O)c3cccc(C#N)c3)cc2oc1=O	ZINC000033048762	506329757	/nfs/dbraw/zinc/32/97/57/506329757.db2.gz	CBXXAHRMVRCVPE-UHFFFAOYSA-N	-1	1	357.391	2.677	50	30		FFEAMM
O=C([O-])CN1C(=O)C(=O)C(C(=O)C=Cc2ccccc2)[C@H]1c1ccccc1	ZINC000015769390	507060067	/nfs/dbraw/zinc/06/00/67/507060067.db2.gz	RYRBOMNGXSPTHZ-YAINUAMHSA-N	-1	1	363.369	2.749	50	30		FFEAMM
C=CCn1cc(CN2CCC(Oc3cccc(C)c3)(C(=O)[O-])CC2)cn1	ZINC000072409174	507784455	/nfs/dbraw/zinc/78/44/55/507784455.db2.gz	FQEIOIOYBVYUJN-UHFFFAOYSA-N	-1	1	355.438	2.876	50	30		FFEAMM
O=C([O-])CN1C(=O)C(=O)C(C(=O)C=Cc2ccccc2)[C@@H]1c1ccccc1	ZINC000102533380	508277033	/nfs/dbraw/zinc/27/70/33/508277033.db2.gz	CKUCXKRHGMUPKP-GTVONPIASA-N	-1	1	363.369	2.749	50	30		FFEAMM
Cc1cc([O-])c(C(=O)C=Cc2cc(Cl)c3c(c2)OCCCO3)c(=O)o1	ZINC000048520978	728052561	/nfs/dbraw/zinc/05/25/61/728052561.db2.gz	QCCQSROABYSHCM-QGZUEGPWSA-N	-1	1	362.765	2.730	50	30		FFEAMM
CSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(O)cc1)C1=C(CCCC1=O)N2	ZINC000100888140	209218651	/nfs/dbraw/zinc/21/86/51/209218651.db2.gz	UXGLDTYBESPBOO-ZDUSSCGKSA-N	-1	1	355.419	2.762	50	30		FFEAMM
O=C(c1ccco1)C1=C([O-])C(=O)N(c2ncccn2)[C@@H]1c1cccs1	ZINC000008743139	207246726	/nfs/dbraw/zinc/24/67/26/207246726.db2.gz	DTPDDQVDXNRODJ-CYBMUJFWSA-N	-1	1	353.359	2.914	50	30		FFEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@@H](c1cccc(OC)c1OC)CC(=O)N2	ZINC000004944323	506408147	/nfs/dbraw/zinc/40/81/47/506408147.db2.gz	MSCQOPPUICXKGU-LLVKDONJSA-N	-1	1	373.434	2.539	50	30		FFEAMM
NC(=O)c1cc(C2=NN/C(=N\c3cccc(Cl)c3)SC2)ccc1[O-]	ZINC000015452828	507041977	/nfs/dbraw/zinc/04/19/77/507041977.db2.gz	RNAQXTJLMQQZDA-UHFFFAOYSA-N	-1	1	360.826	2.873	50	30		FFEAMM
C[C@@H](Sc1nc2c(c(=O)[n-]1)CCCC2)C(=O)Nc1ccccc1C#N	ZINC000018247575	507148140	/nfs/dbraw/zinc/14/81/40/507148140.db2.gz	FCIYAKMFZPWSGO-LLVKDONJSA-N	-1	1	354.435	2.640	50	30		FFEAMM
COc1cccc(C(=O)C=C([O-])C(=O)Nc2ccc3c(c2)COC3=O)c1	ZINC000334163431	511467122	/nfs/dbraw/zinc/46/71/22/511467122.db2.gz	RVEOQMHYBYHTFT-MFOYZWKCSA-N	-1	1	353.330	2.629	50	30		FFEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@@H]2c2cccnc2)no1	ZINC000102891321	209244615	/nfs/dbraw/zinc/24/46/15/209244615.db2.gz	UHWVLXWNFZSVPD-IDTYTIONSA-N	-1	1	351.318	2.597	50	30		FFEAMM
COc1cc([C@@H]2c3c(=O)[n-]c(=S)[nH]c3NC3=C2C(=O)CCC3)ccc1O	ZINC000005072695	207078956	/nfs/dbraw/zinc/07/89/56/207078956.db2.gz	AJNURQCXMVWGLA-ZDUSSCGKSA-N	-1	1	371.418	2.711	50	30		FFEAMM
COc1ccc(NC(=O)[N-]S(=O)(=O)c2ccc(C)cc2)cc1OC	ZINC000002640224	506285465	/nfs/dbraw/zinc/28/54/65/506285465.db2.gz	KMIGSHSCLZGSFR-UHFFFAOYSA-N	-1	1	350.396	2.727	50	30		FFEAMM
COc1ccc(NC([O-])=NS(=O)(=O)c2ccc(C)cc2)cc1OC	ZINC000002640224	506285470	/nfs/dbraw/zinc/28/54/70/506285470.db2.gz	KMIGSHSCLZGSFR-UHFFFAOYSA-N	-1	1	350.396	2.727	50	30		FFEAMM
N#CC(C#N)[C@H](c1c([O-])n(C(N)=S)nc1-c1ccccc1)c1ccccc1	ZINC000018100129	507136883	/nfs/dbraw/zinc/13/68/83/507136883.db2.gz	UUSFZGQQLMQWSW-IAGOWNOFSA-N	-1	1	373.441	2.540	50	30		FFEAMM
C#CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccccc1OC(C)C)CC(=O)N2	ZINC000021784486	507266620	/nfs/dbraw/zinc/26/66/20/507266620.db2.gz	TVZCVYDRXSDYDX-CYBMUJFWSA-N	-1	1	369.446	2.757	50	30		FFEAMM
C=CCOC(=O)c1cc(-c2ccc(CN=Nc3nn[n-]n3)o2)ccc1Cl	ZINC000006185926	518976812	/nfs/dbraw/zinc/97/68/12/518976812.db2.gz	NNZCZXQGLHLFRG-GIJQJNRQSA-N	-1	1	372.772	2.902	50	30		FFEAMM
COc1cccc(C(=O)C=C([O-])C(=O)Nc2ccc(OC)c(OC)c2)c1	ZINC000101355564	525780526	/nfs/dbraw/zinc/78/05/26/525780526.db2.gz	AHBRZFBKMQQWEB-WJDWOHSUSA-N	-1	1	357.362	2.976	50	30		FFEAMM
O=C([O-])CC1S/C(=N/N=C/c2cccc(Oc3ccccc3)c2)NC1=O	ZINC000001172010	527637076	/nfs/dbraw/zinc/63/70/76/527637076.db2.gz	ASZILSSEGHELLO-SKCQWOFPSA-N	-1	1	369.402	2.875	50	30		FFEAMM
Cc1cc([O-])c(C(=O)C=Cc2cc(Br)ccc2F)c(=O)o1	ZINC000023641520	727847943	/nfs/dbraw/zinc/84/79/43/727847943.db2.gz	WCRGOHCUFLDOLV-JBQRSBCVSA-N	-1	1	353.143	2.816	50	30		FFEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@H]2c2cccnc2)no1	ZINC000102891319	209243343	/nfs/dbraw/zinc/24/33/43/209243343.db2.gz	UHWVLXWNFZSVPD-DPEHCCBOSA-N	-1	1	351.318	2.597	50	30		FFEAMM
N=C(Nc1ccc2c(c1)OCCO2)SCc1nc(=O)c2sccc2[n-]1	ZINC000019671993	263375546	/nfs/dbraw/zinc/37/55/46/263375546.db2.gz	IWWLBTWNGSOVFK-UHFFFAOYSA-N	-1	1	374.447	2.635	50	30		FFEAMM
C=CCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)CC1	ZINC000033274682	506353851	/nfs/dbraw/zinc/35/38/51/506353851.db2.gz	UTCYHWSADYYIIQ-UHFFFAOYSA-N	-1	1	374.437	2.960	50	30		FFEAMM
COc1cc(/C=C/C(=O)c2ccccc2[N-]S(C)(=O)=O)cc(OC)c1	ZINC000170615681	728984067	/nfs/dbraw/zinc/98/40/67/728984067.db2.gz	CPOJYXDVGPRCBZ-CMDGGOBGSA-N	-1	1	361.419	2.971	50	30		FFEAMM
Cc1ccc(C(=O)C2=C(O)C(=O)N(CC(=O)[O-])[C@H]2c2ccc(F)cc2)cc1	ZINC000017888431	209607375	/nfs/dbraw/zinc/60/73/75/209607375.db2.gz	CDELJOFDPHORSL-KRWDZBQOSA-N	-1	1	369.348	2.797	50	30		FFEAMM
CC(=O)C1=C(O)C(=O)N(c2ccc(OCC(=O)[O-])cc2)[C@H]1c1ccccc1	ZINC000004576381	207029477	/nfs/dbraw/zinc/02/94/77/207029477.db2.gz	CJQVDNYZDSSPEY-SFHVURJKSA-N	-1	1	367.357	2.639	50	30		FFEAMM
CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccncc1)C1=C(CCCC1=O)N2	ZINC000005931282	207123048	/nfs/dbraw/zinc/12/30/48/207123048.db2.gz	HPZJLZOVPFTGIA-ZDUSSCGKSA-N	-1	1	354.435	2.841	50	30		FFEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@H]2c2ccncc2)no1	ZINC000009411239	207270073	/nfs/dbraw/zinc/27/00/73/207270073.db2.gz	MNNHRYLZPCCNTL-OAHLLOKOSA-N	-1	1	351.318	2.754	50	30		FFEAMM
COc1cc(C=CC(=O)c2c([O-])cc(C)oc2=O)ccc1OC(F)F	ZINC000033725865	208099316	/nfs/dbraw/zinc/09/93/16/208099316.db2.gz	CALABHBDSDRAPK-UYWPIULCSA-N	-1	1	352.289	2.525	50	30		FFEAMM
COc1cc(C=CC(=O)c2c([O-])cc(C)oc2=O)ccc1OC(F)F	ZINC000003549242	506342094	/nfs/dbraw/zinc/34/20/94/506342094.db2.gz	CALABHBDSDRAPK-UJAVWCLSSA-N	-1	1	352.289	2.525	50	30		FFEAMM
COc1cccc([C@H]2C3=C(Nc4nc(N)[n-]c(=O)c42)c2ccccc2C3=O)c1	ZINC000006661967	506495346	/nfs/dbraw/zinc/49/53/46/506495346.db2.gz	NAPXHZUIGZFKLF-AWEZNQCLSA-N	-1	1	372.384	2.526	50	30		FFEAMM
C=CCOc1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)cc1OCC	ZINC000009010303	506677087	/nfs/dbraw/zinc/67/70/87/506677087.db2.gz	HJFDKIOPNZUXGY-VURMDHGXSA-N	-1	1	359.338	2.518	50	30		FFEAMM
COCc1ncc(-c2cc(-c3ccc([O-])cc3F)nc(N)c2C#N)cn1	ZINC000071614300	507705637	/nfs/dbraw/zinc/70/56/37/507705637.db2.gz	ZQSORFQLPIPMKK-UHFFFAOYSA-N	-1	1	351.341	2.651	50	30		FFEAMM
O=C([O-])CN1C(=O)C(=O)C(C(=O)C=Cc2ccccc2)[C@H]1c1ccccc1	ZINC000102649012	209239561	/nfs/dbraw/zinc/23/95/61/209239561.db2.gz	CKUCXKRHGMUPKP-KXZMRUAJSA-N	-1	1	363.369	2.749	50	30		FFEAMM
Cc1ccccc1[C@@H]1c2c(nc(N)[n-]c2=O)NC2=C1C(=O)CC(C)(C)C2	ZINC000004385825	207016937	/nfs/dbraw/zinc/01/69/37/207016937.db2.gz	NXHWZRBAIVYDLC-AWEZNQCLSA-N	-1	1	350.422	2.861	50	30		FFEAMM
O=C1C=CC(=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2cccc([O-])c21	ZINC000003894632	506352370	/nfs/dbraw/zinc/35/23/70/506352370.db2.gz	WGMDXCRDQYXFQK-GZTJUZNOSA-N	-1	1	354.278	2.777	50	30		FFEAMM
Cc1ccc(C(=O)C2=C(O)C(=O)N(CC(=O)[O-])[C@@H]2c2ccccc2)cc1	ZINC000017194894	507119583	/nfs/dbraw/zinc/11/95/83/507119583.db2.gz	MOXJPPPSICWVIS-QGZVFWFLSA-N	-1	1	351.358	2.658	50	30		FFEAMM
Cc1ccc(S(=O)(=O)[N-]C(=O)NCCc2c[nH]c3ccccc23)cc1	ZINC000001409242	525483645	/nfs/dbraw/zinc/48/36/45/525483645.db2.gz	IUPSPKWOEHJPOA-UHFFFAOYSA-N	-1	1	357.435	2.911	50	30		FFEAMM
Cc1ccc(S(=O)(=O)N=C([O-])NCCc2c[nH]c3ccccc23)cc1	ZINC000001409242	525483660	/nfs/dbraw/zinc/48/36/60/525483660.db2.gz	IUPSPKWOEHJPOA-UHFFFAOYSA-N	-1	1	357.435	2.911	50	30		FFEAMM
COc1ccccc1[C@H]1c2c(=O)[n-]c(=S)[nH]c2NC2=C1C(=O)CCC2	ZINC000006459061	207140716	/nfs/dbraw/zinc/14/07/16/207140716.db2.gz	BSPGRCAHAKHVSW-CYBMUJFWSA-N	-1	1	355.419	2.632	50	30		FFEAMM
COc1ccccc1[C@@H]1c2c(=O)[n-]c(=S)[nH]c2NC2=C1C(=O)CCC2	ZINC000006675178	207154474	/nfs/dbraw/zinc/15/44/74/207154474.db2.gz	BSPGRCAHAKHVSW-ZDUSSCGKSA-N	-1	1	355.419	2.632	50	30		FFEAMM
N#Cc1ccccc1-c1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)o1	ZINC000009010337	207255496	/nfs/dbraw/zinc/25/54/96/207255496.db2.gz	QUFBCEBHGUHEIM-VURMDHGXSA-N	-1	1	350.290	2.686	50	30		FFEAMM
COc1ccc(CN=Nc2ncnc3ccccc32)c(C(=O)[O-])c1OC	ZINC000004387667	506375274	/nfs/dbraw/zinc/37/52/74/506375274.db2.gz	CUIUEZJZJZDTJD-ZVBGSRNCSA-N	-1	1	352.350	2.791	50	30		FFEAMM
CCOC(=O)N1CCc2c(C#N)c([N-]C(=O)c3cc(C)no3)sc2C1	ZINC000011693206	506788935	/nfs/dbraw/zinc/78/89/35/506788935.db2.gz	VGJAJDHSZDAXCW-UHFFFAOYSA-N	-1	1	360.395	2.683	50	30		FFEAMM
O=C(c1ccco1)C1=C([O-])C(=O)N(c2ncccn2)[C@@H]1c1ccc(F)cc1	ZINC000018118004	507138921	/nfs/dbraw/zinc/13/89/21/507138921.db2.gz	PTPDTLVDPFVYFP-OAHLLOKOSA-N	-1	1	365.320	2.992	50	30		FFEAMM
COc1c2c(cc3c1[C@@H](C/C(=N/[O-])c1ccccc1O)N(C)CC3)OCO2	ZINC000020113950	507212119	/nfs/dbraw/zinc/21/21/19/507212119.db2.gz	CIKFNCZXZHSFRE-XWCAUFEOSA-N	-1	1	370.405	2.927	50	30	biogenic	FFEAMM
N#Cc1ccc(S(=O)(=O)[N-]c2cccc(N3CCCCC3=O)c2)cc1	ZINC000024956838	507453382	/nfs/dbraw/zinc/45/33/82/507453382.db2.gz	YWMGFJUVEGUVMO-UHFFFAOYSA-N	-1	1	355.419	2.876	50	30		FFEAMM
CC(C)Oc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cccc(C#N)c1	ZINC000075109652	508083938	/nfs/dbraw/zinc/08/39/38/508083938.db2.gz	LMEFRFDAZNEICP-UHFFFAOYSA-N	-1	1	360.391	2.844	50	30		FFEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@H]2c2cccnc2)no1	ZINC000009009491	207254945	/nfs/dbraw/zinc/25/49/45/207254945.db2.gz	DPDDARBOGDKAPW-OAHLLOKOSA-N	-1	1	351.318	2.754	50	30		FFEAMM
N#Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)-c2oncc2CO3)c1	ZINC000033171242	208075481	/nfs/dbraw/zinc/07/54/81/208075481.db2.gz	INAGDIKUKOZSFI-UHFFFAOYSA-N	-1	1	353.359	2.906	50	30		FFEAMM
O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@H]1CCCN(C(=O)c2ccco2)C1	ZINC000040071130	208221824	/nfs/dbraw/zinc/22/18/24/208221824.db2.gz	ZKHGTGQZIPYBDH-QMMMGPOBSA-N	-1	1	357.292	2.557	50	30		FFEAMM
Cc1ccc(C([O-])=Cc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]c2=O)cc1	ZINC000013284053	506935231	/nfs/dbraw/zinc/93/52/31/506935231.db2.gz	UXTNTSIPZSPIRW-MDWZMJQESA-N	-1	1	368.305	2.942	50	30		FFEAMM
C=CCN1C(=O)/C(=C\c2ccc(OC)c3ccccc23)C(=O)[N-]C1=S	ZINC000015012431	507012225	/nfs/dbraw/zinc/01/22/25/507012225.db2.gz	TVRDLKLDSPUJQT-PTNGSMBKSA-N	-1	1	352.415	2.661	50	30		FFEAMM
C#CCOc1ccc([C@@H]2CC(=O)Nc3nc(SCC=C)[n-]c(=O)c32)cc1	ZINC000086057920	508320251	/nfs/dbraw/zinc/32/02/51/508320251.db2.gz	RMJPVTLFDCOYOR-AWEZNQCLSA-N	-1	1	367.430	2.534	50	30		FFEAMM
C#CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccccc1OCCC)CC(=O)N2	ZINC000086058031	508320424	/nfs/dbraw/zinc/32/04/24/508320424.db2.gz	XBHQTZZDLHCESC-CYBMUJFWSA-N	-1	1	369.446	2.758	50	30		FFEAMM
C#CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccccc1OCCC)CC(=O)N2	ZINC000086058029	508320541	/nfs/dbraw/zinc/32/05/41/508320541.db2.gz	XBHQTZZDLHCESC-ZDUSSCGKSA-N	-1	1	369.446	2.758	50	30		FFEAMM
CCOc1cc2c(cc1C=CC(=O)c1c([O-])cc(C)oc1=O)O[C@@H](C)C2	ZINC000229664261	520789291	/nfs/dbraw/zinc/78/92/91/520789291.db2.gz	OBCVPHNYJUUJRL-LHASRHMISA-N	-1	1	356.374	2.637	50	30		FFEAMM
CCN(CC)C(=O)N1CCC[C@H](C(=O)Nc2n[n-]c(C(F)(F)F)n2)C1	ZINC000040153399	208237074	/nfs/dbraw/zinc/23/70/74/208237074.db2.gz	FBPFCWWYBHUXRQ-VIFPVBQESA-N	-1	1	362.356	2.585	50	30		FFEAMM
COc1cccc([C@@H]2C3=C(Nc4nc(N)[n-]c(=O)c42)c2ccccc2C3=O)c1	ZINC000006661968	506495964	/nfs/dbraw/zinc/49/59/64/506495964.db2.gz	NAPXHZUIGZFKLF-CQSZACIVSA-N	-1	1	372.384	2.526	50	30		FFEAMM
CC(C)c1ccn(C2(C(=O)[O-])CCN(Cc3ccccc3C#N)CC2)n1	ZINC000072411538	507785265	/nfs/dbraw/zinc/78/52/65/507785265.db2.gz	DGKPXVPUJQWOAF-UHFFFAOYSA-N	-1	1	352.438	2.954	50	30		FFEAMM
C#CCOc1c(Cl)cc(C=CC(=O)c2c([O-])cc(C)oc2=O)cc1OC	ZINC000048520870	570957005	/nfs/dbraw/zinc/95/70/05/570957005.db2.gz	YXALLISVKVDUMD-KEGWNNHHSA-N	-1	1	374.776	2.589	50	30		FFEAMM
O=C(c1ccco1)C1=C([O-])C(=O)N(c2ncccn2)[C@@H]1c1ccc(F)cc1	ZINC000102437239	222296796	/nfs/dbraw/zinc/29/67/96/222296796.db2.gz	PQLNHAJYFQSPQK-DPEHCCBOSA-N	-1	1	365.320	2.835	50	30		FFEAMM
CCCCOc1ccc(/C(C)=N/N=C2\NC(=O)C(CC(=O)[O-])S2)cc1	ZINC000006778534	727787863	/nfs/dbraw/zinc/78/78/63/727787863.db2.gz	MLWIGHKKTHQPLV-YRIIZNAFSA-N	-1	1	363.439	2.652	50	30		FFEAMM
N#Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CCS3)c1	ZINC000015731023	211140122	/nfs/dbraw/zinc/14/01/22/211140122.db2.gz	DCWXMXDZZVHKLP-UHFFFAOYSA-N	-1	1	359.432	2.793	50	30		FFEAMM
CCCc1cc(=O)[n-]c(-n2nc(C)cc2NC(=O)c2ccc(C#N)cc2)n1	ZINC000038741216	506443560	/nfs/dbraw/zinc/44/35/60/506443560.db2.gz	UXKVRTRWJWGENS-UHFFFAOYSA-N	-1	1	362.393	2.753	50	30		FFEAMM
CCOc1ccc(/N=C2\NN=C(c3ccc([O-])c(C(N)=O)c3)CS2)cc1	ZINC000012742676	506894010	/nfs/dbraw/zinc/89/40/10/506894010.db2.gz	SUKKUNMBRNUTAJ-UHFFFAOYSA-N	-1	1	370.434	2.618	50	30		FFEAMM
C=CCn1c(SCC(=O)c2ccc([O-])c(O)c2)nnc1-c1ccccn1	ZINC000016755533	210146334	/nfs/dbraw/zinc/14/63/34/210146334.db2.gz	FRBCVBUXDJWZAA-UHFFFAOYSA-N	-1	1	368.418	2.912	50	30		FFEAMM
COc1cc(C=CC(=O)c2c([O-])cc(C)oc2=O)ccc1OC(F)F	ZINC000003549235	506341726	/nfs/dbraw/zinc/34/17/26/506341726.db2.gz	CALABHBDSDRAPK-SJDLMVEWSA-N	-1	1	352.289	2.525	50	30		FFEAMM
O=C([O-])CN1C(=O)C(=O)C(C(=O)C=Cc2ccccc2)[C@H]1c1ccccc1	ZINC000004936151	506407270	/nfs/dbraw/zinc/40/72/70/506407270.db2.gz	RYRBOMNGXSPTHZ-TZZQJPOUSA-N	-1	1	363.369	2.749	50	30		FFEAMM
CSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(C#N)cc1)C1=C(CCCC1=O)N2	ZINC000005490064	506446637	/nfs/dbraw/zinc/44/66/37/506446637.db2.gz	NRPRLQDRXRBNQR-CQSZACIVSA-N	-1	1	364.430	2.928	50	30		FFEAMM
Cc1cc([O-])c(C(=O)C=Cc2cc(Br)ccc2F)c(=O)o1	ZINC000048520751	728052475	/nfs/dbraw/zinc/05/24/75/728052475.db2.gz	WCRGOHCUFLDOLV-FWWGQDLDSA-N	-1	1	353.143	2.816	50	30		FFEAMM
Cc1cc([O-])c(C(=O)C=Cc2ccc(OCc3cscn3)cc2)c(=O)o1	ZINC000025061136	965648925	/nfs/dbraw/zinc/64/89/25/965648925.db2.gz	OCRIBTOXSLDTNP-UKTKYZJWSA-N	-1	1	369.398	2.950	50	30		FFEAMM
C#CCOc1ccc([C@@H]2CC(=O)Nc3nc(SCCC)[n-]c(=O)c32)cc1	ZINC000086057841	210235838	/nfs/dbraw/zinc/23/58/38/210235838.db2.gz	CMESGKGQAYOADJ-AWEZNQCLSA-N	-1	1	369.446	2.758	50	30		FFEAMM
C[C@H](Sc1nc2c(c(=O)[n-]1)CCCC2)C(=O)Nc1ccccc1C#N	ZINC000018247577	211196387	/nfs/dbraw/zinc/19/63/87/211196387.db2.gz	FCIYAKMFZPWSGO-NSHDSACASA-N	-1	1	354.435	2.640	50	30		FFEAMM
C/C(=N\N=C1/NC(=O)C(CC(=O)[O-])S1)c1ccc(OCC(C)C)cc1	ZINC000006762304	506503312	/nfs/dbraw/zinc/50/33/12/506503312.db2.gz	NAJLIGAGWHNXGW-HIPSJFSSSA-N	-1	1	363.439	2.508	50	30		FFEAMM
C/C(=N/N=C1\NC(=O)C(CC(=O)[O-])S1)c1ccc(OCC(C)C)cc1	ZINC000034118258	727929259	/nfs/dbraw/zinc/92/92/59/727929259.db2.gz	NAJLIGAGWHNXGW-AXLWCPOOSA-N	-1	1	363.439	2.508	50	30		FFEAMM
COc1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)cc1Br	ZINC000048520672	728052401	/nfs/dbraw/zinc/05/24/01/728052401.db2.gz	JBLQMOIXKVZQDO-QTLSWZBMSA-N	-1	1	365.179	2.686	50	30		FFEAMM
Cc1ccc(C(=O)C2=C(O)C(=O)N(CC(=O)[O-])[C@@H]2c2ccc(F)cc2)cc1	ZINC000017207057	220210303	/nfs/dbraw/zinc/21/03/03/220210303.db2.gz	CDELJOFDPHORSL-QGZVFWFLSA-N	-1	1	369.348	2.797	50	30		FFEAMM
CC(=O)C1=C(O)C(=O)N(c2ccc(C(=O)[O-])c(O)c2)[C@H]1c1ccccc1	ZINC000000969271	210296834	/nfs/dbraw/zinc/29/68/34/210296834.db2.gz	DXATYUNVJWLVIO-INIZCTEOSA-N	-1	1	353.330	2.579	50	30		FFEAMM
C=CCN1C(=O)C(=Cc2cc3c4c(c2)CCCN4CCC3)C(=O)[N-]C1=S	ZINC000006780776	132371475	/nfs/dbraw/zinc/37/14/75/132371475.db2.gz	UAAYLWLOUNUESO-VBKFSLOCSA-N	-1	1	367.474	2.609	50	30		FFEAMM
CCCCNC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1	ZINC000040050250	506461830	/nfs/dbraw/zinc/46/18/30/506461830.db2.gz	UFFTXAWTESGJNP-UHFFFAOYSA-N	-1	1	355.460	2.664	50	30		FFEAMM
CCCCNC([O-])=NS(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1	ZINC000040050250	506461833	/nfs/dbraw/zinc/46/18/33/506461833.db2.gz	UFFTXAWTESGJNP-UHFFFAOYSA-N	-1	1	355.460	2.664	50	30		FFEAMM
Cc1ccc([C@H]2C3=C(Nc4nc(N)[n-]c(=O)c42)c2ccccc2C3=O)cc1	ZINC000040382591	506481656	/nfs/dbraw/zinc/48/16/56/506481656.db2.gz	ZTPLQYDLTLOZBX-AWEZNQCLSA-N	-1	1	356.385	2.826	50	30		FFEAMM
Cc1cc([O-])c(C(=O)C=Cc2cc(Cl)c3c(c2)OCCCO3)c(=O)o1	ZINC000024084042	507391328	/nfs/dbraw/zinc/39/13/28/507391328.db2.gz	QCCQSROABYSHCM-CWDCEQMOSA-N	-1	1	362.765	2.730	50	30		FFEAMM
C=CCOc1ccc([C@H]2CC(=O)Nc3nc(SC)[n-]c(=O)c32)cc1OC	ZINC000670416082	571336567	/nfs/dbraw/zinc/33/65/67/571336567.db2.gz	IJSJXONJNDVXDK-LLVKDONJSA-N	-1	1	373.434	2.952	50	30		FFEAMM
C=CCN1C(=O)/C(=C/c2ccc(O[C@H](C)CC)c(OC)c2)C(=O)[N-]C1=S	ZINC000001154677	210148155	/nfs/dbraw/zinc/14/81/55/210148155.db2.gz	HAIOJKTTZGAVPL-HLVNSREUSA-N	-1	1	374.462	2.685	50	30		FFEAMM
COc1ccc(Br)cc1C=CC(=O)c1c([O-])cc(C)oc1=O	ZINC000025638078	727861874	/nfs/dbraw/zinc/86/18/74/727861874.db2.gz	XEMIIWVZEYNDED-SJDLMVEWSA-N	-1	1	365.179	2.686	50	30		FFEAMM
Cc1cc([O-])c(C(=O)C=Cc2ccc(OCc3cscn3)cc2)c(=O)o1	ZINC000104634882	1010010922	/nfs/dbraw/zinc/01/09/22/1010010922.db2.gz	OCRIBTOXSLDTNP-GINYUPMKSA-N	-1	1	369.398	2.950	50	30		FFEAMM
C#CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccccc1OC(C)C)CC(=O)N2	ZINC000021784482	210157573	/nfs/dbraw/zinc/15/75/73/210157573.db2.gz	TVZCVYDRXSDYDX-ZDUSSCGKSA-N	-1	1	369.446	2.757	50	30		FFEAMM
C=CCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)[N-]C1=O	ZINC000017123740	210153783	/nfs/dbraw/zinc/15/37/83/210153783.db2.gz	AQEUNUMFCNNMOF-DHZHZOJOSA-N	-1	1	358.448	2.930	50	30		FFEAMM
C=CCn1c(=S)[n-]nc1-c1cccc(C2N=NC(=S)N2CC=C)n1	ZINC000001422332	210147977	/nfs/dbraw/zinc/14/79/77/210147977.db2.gz	MSJIAGFWFNOIJP-UHFFFAOYSA-N	-1	1	357.468	2.922	50	30		FFEAMM
C=CCn1cc(/C=C2\C(=O)[N-]C(=S)N(CC=C)C2=O)c2ccccc21	ZINC000004124049	210104476	/nfs/dbraw/zinc/10/44/76/210104476.db2.gz	ZKIFEUXMIIBWBR-RVDMUPIBSA-N	-1	1	351.431	2.640	50	30		FFEAMM
Cc1ccc([C@H]2c3c(nc(N)[n-]c3=O)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000004385820	210528808	/nfs/dbraw/zinc/52/88/08/210528808.db2.gz	SHUHKTRZAXBVBG-CQSZACIVSA-N	-1	1	350.422	2.861	50	30		FFEAMM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2cccnc2)o1	ZINC000102482118	222298860	/nfs/dbraw/zinc/29/88/60/222298860.db2.gz	XQQAILFBQIPCTN-IBOXJLQUSA-N	-1	1	365.345	2.906	50	30		FFEAMM
C=CCn1cc(CN2CCC(Oc3ccccc3F)(C(=O)[O-])CC2)cn1	ZINC000072457183	507793655	/nfs/dbraw/zinc/79/36/55/507793655.db2.gz	HIJMUADQEZLMII-UHFFFAOYSA-N	-1	1	359.401	2.706	50	30		FFEAMM
CNC(=O)[N-]S(=O)(=O)c1cnccc1Sc1ccc(Cl)cc1	ZINC000075261100	508092340	/nfs/dbraw/zinc/09/23/40/508092340.db2.gz	AJDOFHHAJUQPEV-UHFFFAOYSA-N	-1	1	357.844	2.708	50	30		FFEAMM
CNC([O-])=NS(=O)(=O)c1cnccc1Sc1ccc(Cl)cc1	ZINC000075261100	508092342	/nfs/dbraw/zinc/09/23/42/508092342.db2.gz	AJDOFHHAJUQPEV-UHFFFAOYSA-N	-1	1	357.844	2.708	50	30		FFEAMM
CCOc1cc2c(cc1C=CC(=O)c1c([O-])cc(C)oc1=O)O[C@H](C)C2	ZINC000105640433	520789583	/nfs/dbraw/zinc/78/95/83/520789583.db2.gz	OBCVPHNYJUUJRL-KFPFHQFYSA-N	-1	1	356.374	2.637	50	30		FFEAMM
COc1ccc(OC)c(C(=O)C=C([O-])C(=O)Nc2ccccc2OC)c1	ZINC000101355599	524802673	/nfs/dbraw/zinc/80/26/73/524802673.db2.gz	REBRMUYMMTXQBC-WJDWOHSUSA-N	-1	1	357.362	2.976	50	30		FFEAMM
O=C1c2ccc([O-])cc2O/C1=C\c1cc2cc3c(cc2[nH]c1=O)OCCO3	ZINC000032501391	210245459	/nfs/dbraw/zinc/24/54/59/210245459.db2.gz	YECOSIRRIVKGOZ-WSVATBPTSA-N	-1	1	363.325	2.621	50	30		FFEAMM
C=CCn1c(SCC(=O)c2ccc([O-])c(O)c2)nnc1-c1cccnc1	ZINC000001275845	210148636	/nfs/dbraw/zinc/14/86/36/210148636.db2.gz	GBUCPNITJSNYNF-UHFFFAOYSA-N	-1	1	368.418	2.912	50	30		FFEAMM
C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1	ZINC000015508932	210145386	/nfs/dbraw/zinc/14/53/86/210145386.db2.gz	AIXTYXHSXWXFQY-UHFFFAOYSA-N	-1	1	352.362	2.681	50	30		FFEAMM
CC(=O)Oc1ccc2c(c1)occ(C=Nc1cc(=O)[n-]c(=S)[nH]1)c2=O	ZINC000017888905	220218969	/nfs/dbraw/zinc/21/89/69/220218969.db2.gz	FHVKHTLQMKEESO-UBKPWBPPSA-N	-1	1	357.347	2.627	50	30		FFEAMM
C=CCc1c(C)nc(SCC(=O)NC2Cc3ccccc3C2)[n-]c1=O	ZINC000010494383	263365898	/nfs/dbraw/zinc/36/58/98/263365898.db2.gz	KXRPSGRZLPXDIE-UHFFFAOYSA-N	-1	1	355.463	2.595	50	30		FFEAMM
CC(=O)N1CCSc2ccc(S(=O)(=O)[N-]c3cccc(C#N)c3)cc21	ZINC000032943738	506316063	/nfs/dbraw/zinc/31/60/63/506316063.db2.gz	SIWIHVOMCBKRMY-UHFFFAOYSA-N	-1	1	373.459	2.818	50	30		FFEAMM
C=CCn1c(CNC(=O)c2ccccc2Br)n[n-]c1=S	ZINC000004739055	506391117	/nfs/dbraw/zinc/39/11/17/506391117.db2.gz	SPBGJOYZCKSTBZ-UHFFFAOYSA-N	-1	1	353.245	2.819	50	30		FFEAMM
C#CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(OC(C)C)cc1)CC(=O)N2	ZINC000021784704	220365925	/nfs/dbraw/zinc/36/59/25/220365925.db2.gz	ZHEMLNDAMQFIAI-CQSZACIVSA-N	-1	1	369.446	2.757	50	30		FFEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@H]2c2ccco2)s1	ZINC000102752509	222306800	/nfs/dbraw/zinc/30/68/00/222306800.db2.gz	XHOHXUDDHQAAPX-RVROTUBLSA-N	-1	1	357.347	2.659	50	30		FFEAMM
O=C([O-])CCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@@H]1c1ccccc1F	ZINC000102869429	222311246	/nfs/dbraw/zinc/31/12/46/222311246.db2.gz	RGRAKIIAMYJXFU-HVESIFNPSA-N	-1	1	369.348	2.722	50	30		FFEAMM
C=CCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)CC1	ZINC000033274684	506353119	/nfs/dbraw/zinc/35/31/19/506353119.db2.gz	XYSFVWYQAOXEHY-UHFFFAOYSA-N	-1	1	356.447	2.821	50	30		FFEAMM
CCCc1cc(=O)[n-]c(SCC(=O)Nc2cc(Cl)ccc2C#N)n1	ZINC000006995393	506523725	/nfs/dbraw/zinc/52/37/25/506523725.db2.gz	FLJXMYPXRMPSGI-UHFFFAOYSA-N	-1	1	362.842	2.978	50	30		FFEAMM
N#Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)ccc1Cl	ZINC000009478482	506699203	/nfs/dbraw/zinc/69/92/03/506699203.db2.gz	CZZYOGLILAKDGV-UHFFFAOYSA-N	-1	1	361.810	2.897	50	30		FFEAMM
Cc1cc([O-])c(C(=O)C=Cc2ccc(F)c(Br)c2)c(=O)o1	ZINC000022344497	220384318	/nfs/dbraw/zinc/38/43/18/220384318.db2.gz	AQWWBRBVGFZMMC-LYKUJDHUSA-N	-1	1	353.143	2.816	50	30		FFEAMM
C=CCN(Cc1ccccc1OCC)C(=O)c1cnc(SC)[n-]c1=O	ZINC000055327624	221066058	/nfs/dbraw/zinc/06/60/58/221066058.db2.gz	KDTGFKBEXPLPDI-UHFFFAOYSA-N	-1	1	359.451	2.719	50	30		FFEAMM
O=C(c1ccccc1)N1CC(=O)N([O-])[C@H]1c1cccc(Br)c1	ZINC000032251139	506235901	/nfs/dbraw/zinc/23/59/01/506235901.db2.gz	FUQIRPKFSDNRQG-HNNXBMFYSA-N	-1	1	361.195	2.822	50	30		FFEAMM
C=CCNC(=O)Nc1ccc(NS(=O)(=O)c2cc(C)ccc2[O-])cc1	ZINC000057116989	507173874	/nfs/dbraw/zinc/17/38/74/507173874.db2.gz	RMUVLGJUAQWNBE-UHFFFAOYSA-N	-1	1	361.423	2.809	50	30		FFEAMM
C#CCOc1c(Cl)cc(C=CC(=O)c2c([O-])cc(C)oc2=O)cc1OC	ZINC000023162665	507334668	/nfs/dbraw/zinc/33/46/68/507334668.db2.gz	YXALLISVKVDUMD-RTRPANQVSA-N	-1	1	374.776	2.589	50	30		FFEAMM
CC1CCN(c2nc3c(c(=O)[n-]2)[C@@H](c2ccc(C#N)cc2)CC(=O)N3)CC1	ZINC000585655785	571320772	/nfs/dbraw/zinc/32/07/72/571320772.db2.gz	LTRPOGZBTCIIKK-OAHLLOKOSA-N	-1	1	363.421	2.764	50	30		FFEAMM
C=CCN1C(=O)/C(=C/c2cccn2-c2ccc(Cl)cc2)C(=O)[N-]C1=S	ZINC000001155079	219382133	/nfs/dbraw/zinc/38/21/33/219382133.db2.gz	AALQKHCUGODAIH-RVDMUPIBSA-N	-1	1	371.849	2.943	50	30		FFEAMM
Cc1ccc(-c2n[nH]c(NC(=O)c3cccc(S(C)(=O)=O)c3)n2)s1	ZINC000058244735	221110106	/nfs/dbraw/zinc/11/01/06/221110106.db2.gz	QKQAFEQXNZAALJ-UHFFFAOYSA-N	-1	1	362.436	2.881	50	30		FFEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@@H]2c2ccco2)s1	ZINC000102752512	222306989	/nfs/dbraw/zinc/30/69/89/222306989.db2.gz	XHOHXUDDHQAAPX-OWRWYXLESA-N	-1	1	357.347	2.659	50	30		FFEAMM
O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@@H]1CCCN(C(=O)c2ccco2)C1	ZINC000040071131	506463235	/nfs/dbraw/zinc/46/32/35/506463235.db2.gz	ZKHGTGQZIPYBDH-MRVPVSSYSA-N	-1	1	357.292	2.557	50	30		FFEAMM
CCn1c(SCC(=O)Nc2nnn[n-]2)nnc1-c1cccc(Cl)c1	ZINC000328598953	523232588	/nfs/dbraw/zinc/23/25/88/523232588.db2.gz	PLHXHVOKVJYJCB-UHFFFAOYSA-N	-1	1	364.822	2.512	50	30		FFEAMM
CCn1c(SCC(=O)Nc2nn[n-]n2)nnc1-c1cccc(Cl)c1	ZINC000328598953	523232595	/nfs/dbraw/zinc/23/25/95/523232595.db2.gz	PLHXHVOKVJYJCB-UHFFFAOYSA-N	-1	1	364.822	2.512	50	30		FFEAMM
O=C(c1ccco1)C1=C([O-])C(=O)N(c2ncccn2)[C@H]1c1ccc(F)cc1	ZINC000005729351	506456235	/nfs/dbraw/zinc/45/62/35/506456235.db2.gz	PTPDTLVDPFVYFP-HNNXBMFYSA-N	-1	1	365.320	2.992	50	30		FFEAMM
CCCc1cc(=O)[n-]c(SCC(=O)N(CCC#N)c2ccccc2)n1	ZINC000012312054	506846781	/nfs/dbraw/zinc/84/67/81/506846781.db2.gz	UJGSFZFNQURNJX-UHFFFAOYSA-N	-1	1	356.451	2.761	50	30		FFEAMM
C=CCOc1ccc([C@@H]2CC(=O)Nc3nc(SC)[n-]c(=O)c32)cc1OC	ZINC000670416083	571336613	/nfs/dbraw/zinc/33/66/13/571336613.db2.gz	IJSJXONJNDVXDK-NSHDSACASA-N	-1	1	373.434	2.952	50	30		FFEAMM
O=C([O-])CCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@H]1c1ccccc1F	ZINC000013207865	220061525	/nfs/dbraw/zinc/06/15/25/220061525.db2.gz	VXACKQBNPITTFH-QGZVFWFLSA-N	-1	1	369.348	2.879	50	30		FFEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@H]2c2ccncc2)no1	ZINC000102891973	222313636	/nfs/dbraw/zinc/31/36/36/222313636.db2.gz	YECMTALLIWBMHD-DPEHCCBOSA-N	-1	1	351.318	2.597	50	30		FFEAMM
CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCC(=O)N2	ZINC000079054821	507928448	/nfs/dbraw/zinc/92/84/48/507928448.db2.gz	DAOIJFNCFWFMRR-UHFFFAOYSA-N	-1	1	370.434	2.676	50	30		FFEAMM
N#Cc1ccc(NCC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1	ZINC000064722944	221151130	/nfs/dbraw/zinc/15/11/30/221151130.db2.gz	QVNLMVAILTVCGF-UHFFFAOYSA-N	-1	1	363.417	2.797	50	30		FFEAMM
CC(=O)N1CCSc2ccc(S(=O)(=O)[N-]c3ccc(C#N)cc3)cc21	ZINC000032943729	506316732	/nfs/dbraw/zinc/31/67/32/506316732.db2.gz	PWWGRWDMKOIFSW-UHFFFAOYSA-N	-1	1	373.459	2.818	50	30		FFEAMM
Cc1ccccc1[C@H]1c2c(nc(N)[n-]c2=O)NC2=C1C(=O)CC(C)(C)C2	ZINC000004385826	506375209	/nfs/dbraw/zinc/37/52/09/506375209.db2.gz	NXHWZRBAIVYDLC-CQSZACIVSA-N	-1	1	350.422	2.861	50	30		FFEAMM
Cc1ccc(C(=O)N=C2C(=NNc3cccc(Cl)c3)C(=O)[N-]N2C)cc1	ZINC000006009139	506465109	/nfs/dbraw/zinc/46/51/09/506465109.db2.gz	HXDFUNSQRPRBNW-OXRQBELGSA-N	-1	1	369.812	2.632	50	30		FFEAMM
COc1cccc(C(=O)C=C([O-])C(=O)Nc2ccc([N+](=O)[O-])cc2OC)c1	ZINC000101355567	525778951	/nfs/dbraw/zinc/77/89/51/525778951.db2.gz	SMJFZJHWEAFMRS-YBEGLDIGSA-N	-1	1	372.333	2.875	50	30		FFEAMM
O=C([O-])CC1S/C(=N/N=C/c2cccc(Oc3ccccc3)c2)NC1=O	ZINC000004755533	527632040	/nfs/dbraw/zinc/63/20/40/527632040.db2.gz	ASZILSSEGHELLO-BKQORJHRSA-N	-1	1	369.402	2.875	50	30		FFEAMM
Cc1cc([O-])c(C(=O)C=Cc2ccc(Br)cc2F)c(=O)o1	ZINC000023479672	727846346	/nfs/dbraw/zinc/84/63/46/727846346.db2.gz	PJMSHMXUSVCASR-KQIUPUNMSA-N	-1	1	353.143	2.816	50	30		FFEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@@H]2c2ccccn2)s1	ZINC000013725433	220090802	/nfs/dbraw/zinc/09/08/02/220090802.db2.gz	DXTHUVFFCOSRDN-ZDUSSCGKSA-N	-1	1	368.374	2.617	50	30		FFEAMM
O=C([O-])COc1ccc(Br)cc1C=NNc1ccccn1	ZINC000004982579	506411193	/nfs/dbraw/zinc/41/11/93/506411193.db2.gz	GMFYYSUEPKYPRH-CAOOACKPSA-N	-1	1	350.172	2.754	50	30		FFEAMM
N#C[C@H]1CCCN(C(=O)c2cnc(CSc3ccccc3)[n-]c2=O)C1	ZINC000091830508	526513452	/nfs/dbraw/zinc/51/34/52/526513452.db2.gz	SAIUHGRFAGVPQF-CYBMUJFWSA-N	-1	1	354.435	2.850	50	30		FFEAMM
COC1CCN(c2ccc([N-]S(=O)(=O)c3ccccc3C#N)cc2)CC1	ZINC000096122403	536757475	/nfs/dbraw/zinc/75/74/75/536757475.db2.gz	LOWPONGBINAYFD-UHFFFAOYSA-N	-1	1	371.462	2.974	50	30		FFEAMM
COc1c2c(cc3c1[C@H](C/C(=N/[O-])c1ccccc1O)N(C)CC3)OCO2	ZINC000004041751	506354970	/nfs/dbraw/zinc/35/49/70/506354970.db2.gz	CIKFNCZXZHSFRE-JTMDUIFQSA-N	-1	1	370.405	2.927	50	30	biogenic	FFEAMM
CCCc1cc(=O)[n-]c(SCC(=O)N(CCC#N)c2ccc(F)cc2)n1	ZINC000012565535	506880664	/nfs/dbraw/zinc/88/06/64/506880664.db2.gz	WVWIJOQKEVJHJG-UHFFFAOYSA-N	-1	1	374.441	2.900	50	30		FFEAMM
N#Cc1cccc(S(=O)(=O)[N-]c2cccc(N3CCCCC3=O)c2)c1	ZINC000024956845	507453129	/nfs/dbraw/zinc/45/31/29/507453129.db2.gz	ZEUYCGYUOJKHFL-UHFFFAOYSA-N	-1	1	355.419	2.876	50	30		FFEAMM
C#CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccccc1OCC=C)CC(=O)N2	ZINC000086058041	508320289	/nfs/dbraw/zinc/32/02/89/508320289.db2.gz	MPGFDLGJHRTPOT-CYBMUJFWSA-N	-1	1	367.430	2.534	50	30		FFEAMM
C#CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(OCCC)cc1)CC(=O)N2	ZINC000086058009	508320351	/nfs/dbraw/zinc/32/03/51/508320351.db2.gz	XFUHZIRAMFAWRN-AWEZNQCLSA-N	-1	1	369.446	2.758	50	30		FFEAMM
CC(=NN=C1NC(=O)C(CC(=O)[O-])S1)c1ccc(OCC(C)C)cc1	ZINC000252621521	509854910	/nfs/dbraw/zinc/85/49/10/509854910.db2.gz	NAJLIGAGWHNXGW-CQSZACIVSA-N	-1	1	363.439	2.508	50	30		FFEAMM
O=C(Nc1ccc(C(=O)NCC#CCO)c([O-])c1)c1cc(F)cc(F)c1	ZINC000328596655	527517306	/nfs/dbraw/zinc/51/73/06/527517306.db2.gz	MGEYYHLPNPRNGD-UHFFFAOYSA-N	-1	1	360.316	2.607	50	30		FFEAMM
Cc1cc([O-])c(C(=O)C=Cc2ccc(OCc3cscn3)cc2)c(=O)o1	ZINC000025061127	965648086	/nfs/dbraw/zinc/64/80/86/965648086.db2.gz	OCRIBTOXSLDTNP-WEBJUUICSA-N	-1	1	369.398	2.950	50	30		FFEAMM
CCOC(=O)c1ccc(NC(=O)[N-]S(=O)(=O)c2ccc(C)cc2)cc1	ZINC000000778333	506232322	/nfs/dbraw/zinc/23/23/22/506232322.db2.gz	RSPPBTJFGFZZBY-UHFFFAOYSA-N	-1	1	362.407	2.887	50	30		FFEAMM
CCOC(=O)c1ccc(NC([O-])=NS(=O)(=O)c2ccc(C)cc2)cc1	ZINC000000778333	506232324	/nfs/dbraw/zinc/23/23/24/506232324.db2.gz	RSPPBTJFGFZZBY-UHFFFAOYSA-N	-1	1	362.407	2.887	50	30		FFEAMM
O=S(=O)([N-]/N=C\c1ccc(O)c(O)c1)c1cc(Cl)ccc1Cl	ZINC000032575554	506266771	/nfs/dbraw/zinc/26/67/71/506266771.db2.gz	FXIWIRYEFMQMEJ-APSNUPSMSA-N	-1	1	361.206	2.717	50	30		FFEAMM
COc1ccc(Br)cc1C=CC(=O)c1c([O-])cc(C)oc1=O	ZINC000033651165	506361013	/nfs/dbraw/zinc/36/10/13/506361013.db2.gz	XEMIIWVZEYNDED-QTLSWZBMSA-N	-1	1	365.179	2.686	50	30		FFEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@H]2c2ccc(O)cc2)no1	ZINC000102894751	508288298	/nfs/dbraw/zinc/28/82/98/508288298.db2.gz	TZFXVDHTFVYEGF-IBOXJLQUSA-N	-1	1	366.329	2.908	50	30		FFEAMM
C=CCN=c1scc(-c2ccc([O-])c(C(N)=O)c2)n1N=C1CCCC1	ZINC000254297361	509904751	/nfs/dbraw/zinc/90/47/51/509904751.db2.gz	PGRWIZHSASVZAI-UHFFFAOYSA-N	-1	1	356.451	2.886	50	30		FFEAMM
Cc1cc2cc([N-]S(=O)(=O)c3ccc(C#N)cc3)ccc2n(C)c1=O	ZINC000427298343	514175268	/nfs/dbraw/zinc/17/52/68/514175268.db2.gz	BMVCSXFOQPYKKC-UHFFFAOYSA-N	-1	1	353.403	2.519	50	30		FFEAMM
CCNC(=O)[C@H]1CCN(C(=O)c2cccc(-c3cc(C#N)ccc3[O-])c2)C1	ZINC000534670389	517994907	/nfs/dbraw/zinc/99/49/07/517994907.db2.gz	BENVNPWAVOCJML-KRWDZBQOSA-N	-1	1	363.417	2.529	50	30		FFEAMM
O=C([O-])CN1C(=O)C(=O)C(C(=O)C=Cc2ccccc2)[C@@H]1c1ccccc1	ZINC000018058583	206324095	/nfs/dbraw/zinc/32/40/95/206324095.db2.gz	RYRBOMNGXSPTHZ-CVTTXWKISA-N	-1	1	363.369	2.749	50	30		FFEAMM
N#Cc1cccc([N-]S(=O)(=O)c2ccc(N3CCCCC3=O)cc2)c1	ZINC000011906609	506804147	/nfs/dbraw/zinc/80/41/47/506804147.db2.gz	LTSDFWASXVQOFG-UHFFFAOYSA-N	-1	1	355.419	2.876	50	30		FFEAMM
CSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(O)cc1)C1=C(CCCC1=O)N2	ZINC000100888141	508240464	/nfs/dbraw/zinc/24/04/64/508240464.db2.gz	UXGLDTYBESPBOO-CYBMUJFWSA-N	-1	1	355.419	2.762	50	30		FFEAMM
Cc1[nH]c(CN2CCC(C(=O)[O-])(n3ccc(C(C)(C)C)n3)CC2)cc1C#N	ZINC000077386072	508309120	/nfs/dbraw/zinc/30/91/20/508309120.db2.gz	JTWOGJZSINJDQS-UHFFFAOYSA-N	-1	1	369.469	2.765	50	30		FFEAMM
O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@H]1CC(=O)N(c2ccccc2F)C1	ZINC000040071134	205052735	/nfs/dbraw/zinc/05/27/35/205052735.db2.gz	CKRKUWFDONMRQG-ZETCQYMHSA-N	-1	1	357.267	2.604	50	30		FFEAMM
C[C@H](C#N)CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1	ZINC000045851227	507033257	/nfs/dbraw/zinc/03/32/57/507033257.db2.gz	WZSSIELWEXXHOJ-CQSZACIVSA-N	-1	1	357.435	2.719	50	30		FFEAMM
CCN=c1scc(-c2ccc([O-])c(C(N)=O)c2)n1N=Cc1ccc(C)o1	ZINC000254862190	509912278	/nfs/dbraw/zinc/91/22/78/509912278.db2.gz	PIAQJQSHHJTXMJ-UHFFFAOYSA-N	-1	1	370.434	2.725	50	30		FFEAMM
COc1ccc(Br)cc1C=CC(=O)c1c([O-])cc(C)oc1=O	ZINC000025638072	727861594	/nfs/dbraw/zinc/86/15/94/727861594.db2.gz	XEMIIWVZEYNDED-UJAVWCLSSA-N	-1	1	365.179	2.686	50	30		FFEAMM
O=C([O-])CCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@H]1c1ccccc1	ZINC000005483986	204211143	/nfs/dbraw/zinc/21/11/43/204211143.db2.gz	UPQVDYBLATZHIX-SELCWUDQSA-N	-1	1	365.385	2.973	50	30		FFEAMM
N#Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CCS3)cc1	ZINC000015731020	220162845	/nfs/dbraw/zinc/16/28/45/220162845.db2.gz	XGKNKZNEFLYDDS-UHFFFAOYSA-N	-1	1	359.432	2.793	50	30		FFEAMM
CC(=O)C1=C(O)C(=O)N(c2ccc(C(=O)[O-])c(O)c2)[C@@H]1c1ccccc1	ZINC000000969272	506242637	/nfs/dbraw/zinc/24/26/37/506242637.db2.gz	DXATYUNVJWLVIO-MRXNPFEDSA-N	-1	1	353.330	2.579	50	30		FFEAMM
O=C([O-])CCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@H]1c1ccccc1F	ZINC000102869433	527590812	/nfs/dbraw/zinc/59/08/12/527590812.db2.gz	RGRAKIIAMYJXFU-GROYHEBESA-N	-1	1	369.348	2.722	50	30		FFEAMM
CCN1c2ccccc2C(=N[N-]c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O	ZINC000254589009	1014450973	/nfs/dbraw/zinc/45/09/73/1014450973.db2.gz	AGKKWZBXHITADH-UHFFFAOYSA-N	-1	1	355.310	2.686	50	30		FFEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@@H]2c2cccnc2)no1	ZINC000009009492	204351729	/nfs/dbraw/zinc/35/17/29/204351729.db2.gz	DPDDARBOGDKAPW-HNNXBMFYSA-N	-1	1	351.318	2.754	50	30		FFEAMM
N#Cc1c(=O)[n-]ccc1NCCNc1ncc(C(F)(F)F)cc1Cl	ZINC000020365378	507218065	/nfs/dbraw/zinc/21/80/65/507218065.db2.gz	UNASGWQHVZJWKX-UHFFFAOYSA-N	-1	1	357.723	2.838	50	30		FFEAMM
O=C([O-])COc1ccc(C(=O)/C=C/c2ccc3c(c2)OCCO3)c(O)c1	ZINC000008048259	527617734	/nfs/dbraw/zinc/61/77/34/527617734.db2.gz	BQGUAESNXOSEPE-ORCRQEGFSA-N	-1	1	356.330	2.523	50	30		FFEAMM
N#CC(C#N)[C@@H](c1c([O-])n(C(N)=S)nc1-c1ccccc1)c1ccccc1	ZINC000101421101	570820429	/nfs/dbraw/zinc/82/04/29/570820429.db2.gz	UUSFZGQQLMQWSW-IRXDYDNUSA-N	-1	1	373.441	2.540	50	30		FFEAMM
CN1c2ccc(S(=O)(=O)[N-]c3ccc(C#N)cc3)cc2C(C)(C)C1=O	ZINC000057280252	205237665	/nfs/dbraw/zinc/23/76/65/205237665.db2.gz	UFGBAWUPYBEIAU-UHFFFAOYSA-N	-1	1	355.419	2.613	50	30		FFEAMM
COC(=O)C[C@H](c1ccc(O)cc1)C1=C([O-])C(=O)c2ccccc2C1=O	ZINC000217749443	206366453	/nfs/dbraw/zinc/36/64/53/206366453.db2.gz	NVOQKBOWIRAJIZ-OAHLLOKOSA-N	-1	1	352.342	2.930	50	30	biogenic	FFEAMM
O=C([O-])CCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@@H]1c1ccccc1F	ZINC000017251006	507118132	/nfs/dbraw/zinc/11/81/32/507118132.db2.gz	VXACKQBNPITTFH-KRWDZBQOSA-N	-1	1	369.348	2.879	50	30		FFEAMM
Cc1[n-]n(C2=NCCS2)c(=O)c1N=Nc1cccc(C(F)(F)F)c1	ZINC000100913670	508240455	/nfs/dbraw/zinc/24/04/55/508240455.db2.gz	CLRDZIMWJKYTPW-JAIQZWGSSA-N	-1	1	355.345	2.794	50	30		FFEAMM
CC(=O)Oc1ccc2occ(C=Nc3cc(=O)[n-]c(=S)[nH]3)c(=O)c2c1	ZINC000084459757	508280466	/nfs/dbraw/zinc/28/04/66/508280466.db2.gz	IOJSNKKZFKZGLV-UBKPWBPPSA-N	-1	1	357.347	2.627	50	30		FFEAMM
NC(=O)c1cc(-c2csc(=NC3CC3)n2N=C2CCCC2)ccc1[O-]	ZINC000254490166	509907759	/nfs/dbraw/zinc/90/77/59/509907759.db2.gz	PODMDTOLGULMAJ-UHFFFAOYSA-N	-1	1	356.451	2.862	50	30		FFEAMM
C#CCOc1c(Cl)cc(C=CC(=O)c2c([O-])cc(C)oc2=O)cc1OC	ZINC000048520868	570957201	/nfs/dbraw/zinc/95/72/01/570957201.db2.gz	YXALLISVKVDUMD-OSJSJHBBSA-N	-1	1	374.776	2.589	50	30		FFEAMM
Cc1nn(-c2ccc(F)cc2)c(C)c1C=CC(=O)c1c([O-])cc(C)oc1=O	ZINC000105328973	1010310901	/nfs/dbraw/zinc/31/09/01/1010310901.db2.gz	SKUQITFVZVNEIA-OLHLWXQYSA-N	-1	1	368.364	2.856	50	30		FFEAMM
N#Cc1cccc([C@@H](Nc2ccc3c(c2)NC(=O)CO3)[P@@](=O)([O-])O)c1	ZINC000328593094	223115998	/nfs/dbraw/zinc/11/59/98/223115998.db2.gz	DJPTYKHMZDBLOB-INIZCTEOSA-N	-1	1	359.278	2.827	50	30		FFEAMM
CCN(CC)C(=O)N1CCC[C@@H](C(=O)Nc2n[n-]c(C(F)(F)F)n2)C1	ZINC000040153400	205060501	/nfs/dbraw/zinc/06/05/01/205060501.db2.gz	FBPFCWWYBHUXRQ-SECBINFHSA-N	-1	1	362.356	2.585	50	30		FFEAMM
Cc1nc(-c2ccccn2)[n-]c(=O)c1CCC(=O)N(C)c1cccc(C#N)c1	ZINC000058193666	205257031	/nfs/dbraw/zinc/25/70/31/205257031.db2.gz	ZRAHXZYCQCPWDS-UHFFFAOYSA-N	-1	1	373.416	2.608	50	30		FFEAMM
CCNC(=O)COc1ccc(/C=C2\Oc3cc([O-])ccc3C2=O)cc1OC	ZINC000009154783	263360115	/nfs/dbraw/zinc/36/01/15/263360115.db2.gz	YGDULCPXOIBZOG-NVMNQCDNSA-N	-1	1	369.373	2.532	50	30		FFEAMM
C#CCOC(=O)[N-]C(=O)c1c(-c2ccc(Cl)cc2)nn(C)c1SC	ZINC000002149209	506272138	/nfs/dbraw/zinc/27/21/38/506272138.db2.gz	CYOXFEAXCPWJEN-UHFFFAOYSA-N	-1	1	363.826	2.962	50	30		FFEAMM
O=C(Nc1n[n-]c(C(F)(F)F)n1)C1CCN(C(=O)c2ccoc2)CC1	ZINC000026251555	507570191	/nfs/dbraw/zinc/57/01/91/507570191.db2.gz	ICZXYZUYHKSJOM-UHFFFAOYSA-N	-1	1	357.292	2.557	50	30		FFEAMM
N#C[C@@H]1CCCN(C(=O)c2cnc(C34CC5CC(CC(C5)C3)C4)[n-]c2=O)C1	ZINC000091966435	508028115	/nfs/dbraw/zinc/02/81/15/508028115.db2.gz	WTXNBGXMDDHQRA-JHMRYYBSSA-N	-1	1	366.465	2.613	50	30		FFEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@@H]2c2ccncc2)no1	ZINC000102891977	508288014	/nfs/dbraw/zinc/28/80/14/508288014.db2.gz	YECMTALLIWBMHD-IDTYTIONSA-N	-1	1	351.318	2.597	50	30		FFEAMM
C#CCOc1ccc([C@H]2CC(=O)Nc3nc(SCCC)[n-]c(=O)c32)cc1	ZINC000086057839	508320492	/nfs/dbraw/zinc/32/04/92/508320492.db2.gz	CMESGKGQAYOADJ-CQSZACIVSA-N	-1	1	369.446	2.758	50	30		FFEAMM
CCNC(=O)[C@@H]1CCN(C(=O)c2cccc(-c3cc(C#N)ccc3[O-])c2)C1	ZINC000534670390	517994830	/nfs/dbraw/zinc/99/48/30/517994830.db2.gz	BENVNPWAVOCJML-QGZVFWFLSA-N	-1	1	363.417	2.529	50	30		FFEAMM
N#CC(C#N)[C@H](c1c([O-])n(C(N)=S)nc1-c1ccccc1)c1ccccc1	ZINC000101421106	570820378	/nfs/dbraw/zinc/82/03/78/570820378.db2.gz	UUSFZGQQLMQWSW-SJORKVTESA-N	-1	1	373.441	2.540	50	30		FFEAMM
Cc1ccc(C)c(N=Cc2c([O-])n(-c3ccc(F)cc3)c(=O)[nH]c2=O)c1	ZINC000101602490	570821617	/nfs/dbraw/zinc/82/16/17/570821617.db2.gz	DLXSXJKKQLUMRG-UFFVCSGVSA-N	-1	1	353.353	2.738	50	30		FFEAMM
CC(=O)C(=NNc1cc([N+](=O)[O-])ccc1C(=O)[O-])C(=O)c1ccccc1	ZINC000254868424	1014654229	/nfs/dbraw/zinc/65/42/29/1014654229.db2.gz	UHLNQESOJZXHSZ-UHFFFAOYSA-N	-1	1	355.306	2.533	50	30		FFEAMM
O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@@H]1CC(=O)N(c2ccccc2F)C1	ZINC000040071133	205052975	/nfs/dbraw/zinc/05/29/75/205052975.db2.gz	CKRKUWFDONMRQG-SSDOTTSWSA-N	-1	1	357.267	2.604	50	30		FFEAMM
COC(=O)C[C@H](c1cccc(O)c1)C1=C([O-])C(=O)c2ccccc2C1=O	ZINC000217665154	206365569	/nfs/dbraw/zinc/36/55/69/206365569.db2.gz	OFGPIMVMKXKDKK-OAHLLOKOSA-N	-1	1	352.342	2.930	50	30	biogenic	FFEAMM
Cc1ccc(C(=O)Nc2nc(S(=O)(=O)Cc3ccccc3)n[n-]2)cc1	ZINC000021356616	507252143	/nfs/dbraw/zinc/25/21/43/507252143.db2.gz	WGBZEAHKJMAPOP-UHFFFAOYSA-N	-1	1	356.407	2.723	50	30		FFEAMM
Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)Cc3ccccc3)[n-]2)cc1	ZINC000021356616	507252155	/nfs/dbraw/zinc/25/21/55/507252155.db2.gz	WGBZEAHKJMAPOP-UHFFFAOYSA-N	-1	1	356.407	2.723	50	30		FFEAMM
N#CC1CCN(C(=O)c2cnc(C34CC5CC(CC(C5)C3)C4)[n-]c2=O)CC1	ZINC000091351096	507982339	/nfs/dbraw/zinc/98/23/39/507982339.db2.gz	LFHQBYVMVGVXBT-UHFFFAOYSA-N	-1	1	366.465	2.613	50	30		FFEAMM
CCOC(=O)c1cc(-c2ccc(CN=Nc3nn[n-]n3)o2)ccc1Cl	ZINC000004150957	521421787	/nfs/dbraw/zinc/42/17/87/521421787.db2.gz	FVIDIUSPIAMYBT-CAOOACKPSA-N	-1	1	360.761	2.736	50	30		FFEAMM
C=CCn1c(-c2cccc(S(=O)(=O)N(CC)CC)c2)n[n-]c1=S	ZINC000006483065	206710130	/nfs/dbraw/zinc/71/01/30/206710130.db2.gz	DMKAAAKHYCOXTP-UHFFFAOYSA-N	-1	1	352.485	2.824	50	30		FFEAMM
CCCCc1n[nH]c(=S)n1N=Cc1cc(OC)c([O-])c([N+](=O)[O-])c1	ZINC000005850374	207119758	/nfs/dbraw/zinc/11/97/58/207119758.db2.gz	RKHUNNDNDCWMBO-OVCLIPMQSA-N	-1	1	351.388	2.788	50	30		FFEAMM
N#Cc1cccnc1N1CCC(NC(=O)Cc2ccc([O-])c(Cl)c2)CC1	ZINC000220483184	132276025	/nfs/dbraw/zinc/27/60/25/132276025.db2.gz	YUDKZQJMJFYWGP-UHFFFAOYSA-N	-1	1	370.840	2.640	50	30		FFEAMM
CSc1nc2c(c(=O)[n-]1)[C@@H](c1cccc(O)c1)C1=C(CCCC1=O)N2	ZINC000004194099	207006236	/nfs/dbraw/zinc/00/62/36/207006236.db2.gz	BDHQILMLAVLKCX-ZDUSSCGKSA-N	-1	1	355.419	2.762	50	30		FFEAMM
O=c1[nH]c2cc([N+](=O)[O-])c([N+](=O)[O-])cc2nc1C=C([O-])c1ccccc1	ZINC000004821974	207052357	/nfs/dbraw/zinc/05/23/57/207052357.db2.gz	MRHUKTVWHXOKPH-WQLSENKSSA-N	-1	1	354.278	2.634	50	30		FFEAMM
CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccncc1)C1=C(CCCC1=O)N2	ZINC000005931269	207123978	/nfs/dbraw/zinc/12/39/78/207123978.db2.gz	HPZJLZOVPFTGIA-CYBMUJFWSA-N	-1	1	354.435	2.841	50	30		FFEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@@H]2c2ccco2)s1	ZINC000013722232	506953645	/nfs/dbraw/zinc/95/36/45/506953645.db2.gz	JZEOUSICITZRLB-LBPRGKRZSA-N	-1	1	357.347	2.815	50	30		FFEAMM
CCCOc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cccc(C#N)c1	ZINC000079061838	507929407	/nfs/dbraw/zinc/92/94/07/507929407.db2.gz	WLTRWYJQFNTCIV-UHFFFAOYSA-N	-1	1	360.391	2.846	50	30		FFEAMM
COc1ccc(/C=C/C(=O)c2ccccc2[N-]S(C)(=O)=O)cc1OC	ZINC000095939610	728480507	/nfs/dbraw/zinc/48/05/07/728480507.db2.gz	JLBYWXHQYQKGEP-CSKARUKUSA-N	-1	1	361.419	2.971	50	30		FFEAMM
O=C(c1ccccc1)N1CC(=O)N([O-])[C@@H]1c1cccc(Br)c1	ZINC000032251142	506235547	/nfs/dbraw/zinc/23/55/47/506235547.db2.gz	FUQIRPKFSDNRQG-OAHLLOKOSA-N	-1	1	361.195	2.822	50	30		FFEAMM
CCCc1cc(=O)[n-]c(NN=Cc2cc(Br)ccc2O)n1	ZINC000008568317	506658351	/nfs/dbraw/zinc/65/83/51/506658351.db2.gz	AYCUUJYWKKWNHE-LZYBPNLTSA-N	-1	1	351.204	2.637	50	30		FFEAMM
Nc1c(-c2nc3ccccc3s2)c([O-])cn1N=Cc1ccccc1O	ZINC000013687013	506950988	/nfs/dbraw/zinc/95/09/88/506950988.db2.gz	PLOFZKOPRUVCAR-AWQFTUOYSA-N	-1	1	350.403	2.548	50	30		FFEAMM
CSc1ccccc1N=Cc1c([O-])n(-c2ccc(F)cc2)c(=O)[nH]c1=O	ZINC000101576263	570821494	/nfs/dbraw/zinc/82/14/94/570821494.db2.gz	SXSHBSIFNLASIP-KEBDBYFISA-N	-1	1	371.393	2.843	50	30		FFEAMM
N#Cc1ccccc1NC(=O)CSc1nc([O-])cc(=O)n1C1CCCC1	ZINC000102796608	570839095	/nfs/dbraw/zinc/83/90/95/570839095.db2.gz	COHJCOOBLFLCAW-UHFFFAOYSA-N	-1	1	370.434	2.666	50	30		FFEAMM
CCN(CC)C(=O)c1cccc([N-]S(=O)(=O)c2cccc(C#N)c2)c1	ZINC000007054757	207185800	/nfs/dbraw/zinc/18/58/00/207185800.db2.gz	TZRFFDRMXCGNRL-UHFFFAOYSA-N	-1	1	357.435	2.841	50	30		FFEAMM
COc1ccc(Br)cc1C=CC(=O)c1c([O-])cc(C)oc1=O	ZINC000033651166	208095825	/nfs/dbraw/zinc/09/58/25/208095825.db2.gz	XEMIIWVZEYNDED-UYWPIULCSA-N	-1	1	365.179	2.686	50	30		FFEAMM
C=CCn1c(=O)c2c3c(sc2nc1SCc1cc(=O)[nH][n-]1)CCC3	ZINC000004911319	506406100	/nfs/dbraw/zinc/40/61/00/506406100.db2.gz	UNPOYUZOVFNHJL-UHFFFAOYSA-N	-1	1	360.464	2.854	50	30		FFEAMM
C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccccc3)c2C)C(=O)[N-]C1=S	ZINC000013546231	506942833	/nfs/dbraw/zinc/94/28/33/506942833.db2.gz	LBZIHPYGVDXNMB-SFQUDFHCSA-N	-1	1	365.458	2.907	50	30		FFEAMM
C=CCN1C(=O)/C(=C\c2c(OC)ccc3ccccc32)C(=O)[N-]C1=S	ZINC000015722712	507056175	/nfs/dbraw/zinc/05/61/75/507056175.db2.gz	LEDXWCGPBBGQOQ-PTNGSMBKSA-N	-1	1	352.415	2.661	50	30		FFEAMM
COc1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2c2ccc(C(=O)[O-])cc2)cc1	ZINC000020112794	507213342	/nfs/dbraw/zinc/21/33/42/507213342.db2.gz	PHLFNHVHYKBKEN-QGZVFWFLSA-N	-1	1	367.357	2.882	50	30	biogenic	FFEAMM
CCC(=O)N1CCc2cc(C(=O)Nc3n[n-]c(C(F)(F)F)n3)ccc21	ZINC000051266457	507754956	/nfs/dbraw/zinc/75/49/56/507754956.db2.gz	IEWHAWRWLNKCLL-UHFFFAOYSA-N	-1	1	353.304	2.759	50	30		FFEAMM
C#CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccccc1OCC=C)CC(=O)N2	ZINC000086058040	508320500	/nfs/dbraw/zinc/32/05/00/508320500.db2.gz	MPGFDLGJHRTPOT-ZDUSSCGKSA-N	-1	1	367.430	2.534	50	30		FFEAMM
CCOC(=O)c1c[n-]c(NC(=O)c2ccc(OC(F)F)c(OC)c2)n1	ZINC000328589816	511888917	/nfs/dbraw/zinc/88/89/17/511888917.db2.gz	AHEJZMQEAOHLHB-UHFFFAOYSA-N	-1	1	355.297	2.833	50	30		FFEAMM
C=CCOC(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)c2c([n-][nH]c2=O)C[C@@]1(C)O	ZINC000101329428	508241444	/nfs/dbraw/zinc/24/14/44/508241444.db2.gz	LUAULMSEBPVYAT-DHSIGJKJSA-N	-1	1	362.813	2.553	50	30		FFEAMM
C=CCN1C(=O)/C(=C/c2ccc(OC(C)C)c(Cl)c2)C(=O)[N-]C1=S	ZINC000004723745	506389860	/nfs/dbraw/zinc/38/98/60/506389860.db2.gz	CDCHFKZXOHHVJL-XYOKQWHBSA-N	-1	1	364.854	2.940	50	30		FFEAMM
COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2)c1	ZINC000012948288	506918094	/nfs/dbraw/zinc/91/80/94/506918094.db2.gz	JQHVIIGOLIDDND-UHFFFAOYSA-N	-1	1	350.783	2.799	50	30		FFEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@@H]2c2cccnc2)s1	ZINC000013733021	506956492	/nfs/dbraw/zinc/95/64/92/506956492.db2.gz	STORUOVCRAHZTP-ZDUSSCGKSA-N	-1	1	368.374	2.617	50	30		FFEAMM
O=C(C=Cc1ccc(Cl)cc1)c1c(=O)[nH]c(=O)n(-c2ccccc2)c1[O-]	ZINC000017015585	507111983	/nfs/dbraw/zinc/11/19/83/507111983.db2.gz	VOMHACOBXCAVQJ-DHZHZOJOSA-N	-1	1	368.776	2.781	50	30		FFEAMM
Cc1ccc(OC2(C(=O)[O-])CCN(Cc3cccc(C#N)c3)CC2)cn1	ZINC000072426749	507789038	/nfs/dbraw/zinc/78/90/38/507789038.db2.gz	YXMDEFIZDTXSIP-UHFFFAOYSA-N	-1	1	351.406	2.760	50	30		FFEAMM
C#CCOc1ccc([C@H]2CC(=O)Nc3nc(SCC=C)[n-]c(=O)c32)cc1	ZINC000086057916	508320390	/nfs/dbraw/zinc/32/03/90/508320390.db2.gz	RMJPVTLFDCOYOR-CQSZACIVSA-N	-1	1	367.430	2.534	50	30		FFEAMM
CCc1ccc(C(=O)Nc2nc(S(=O)(=O)Cc3ccccc3)n[n-]2)cc1	ZINC000021356678	523870425	/nfs/dbraw/zinc/87/04/25/523870425.db2.gz	OCPXYXMLDJNGMM-UHFFFAOYSA-N	-1	1	370.434	2.977	50	30		FFEAMM
CCc1ccc(C(=O)Nc2nnc(S(=O)(=O)Cc3ccccc3)[n-]2)cc1	ZINC000021356678	523870429	/nfs/dbraw/zinc/87/04/29/523870429.db2.gz	OCPXYXMLDJNGMM-UHFFFAOYSA-N	-1	1	370.434	2.977	50	30		FFEAMM
O=C(c1ccco1)C1=C([O-])C(=O)N(c2ncccn2)[C@@H]1c1ccccc1F	ZINC000001154000	219382630	/nfs/dbraw/zinc/38/26/30/219382630.db2.gz	MLTBKXNVJIGXFF-OAHLLOKOSA-N	-1	1	365.320	2.992	50	30		FFEAMM
C#CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(OCCC)cc1)CC(=O)N2	ZINC000086058011	206803785	/nfs/dbraw/zinc/80/37/85/206803785.db2.gz	XFUHZIRAMFAWRN-CQSZACIVSA-N	-1	1	369.446	2.758	50	30		FFEAMM
CCN(CC)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1	ZINC000007054759	207185730	/nfs/dbraw/zinc/18/57/30/207185730.db2.gz	JVTCPGBSPJLJMO-UHFFFAOYSA-N	-1	1	357.435	2.841	50	30		FFEAMM
Cc1cc(C)c(C#N)c(N2CCN(Cc3ccccc3C(=O)[O-])CC2)n1	ZINC000065381382	506290901	/nfs/dbraw/zinc/29/09/01/506290901.db2.gz	QIUFGRUHAIRUEE-UHFFFAOYSA-N	-1	1	350.422	2.591	50	30		FFEAMM
C=CCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1	ZINC000028493038	507727904	/nfs/dbraw/zinc/72/79/04/507727904.db2.gz	CYRNORXJWHLVAD-UHFFFAOYSA-N	-1	1	352.362	2.681	50	30		FFEAMM
C/C(=N/N=C1\NC(=O)C(CC(=O)[O-])S1)c1ccc(OCC(C)C)cc1	ZINC000033913013	727929401	/nfs/dbraw/zinc/92/94/01/727929401.db2.gz	NAJLIGAGWHNXGW-KVMVOAJRSA-N	-1	1	363.439	2.508	50	30		FFEAMM
CCN=c1scc(-c2ccc([O-])c(C(N)=O)c2)n1N=Cc1ccccc1	ZINC000254738887	1014520193	/nfs/dbraw/zinc/52/01/93/1014520193.db2.gz	NWHLPOSXYAHGJY-UHFFFAOYSA-N	-1	1	366.446	2.824	50	30		FFEAMM
Cc1cc([O-])c(C(=O)C=Cc2ccc(OCc3cscn3)cc2)c(=O)o1	ZINC000104634890	1010009380	/nfs/dbraw/zinc/00/93/80/1010009380.db2.gz	OCRIBTOXSLDTNP-NCRRVARUSA-N	-1	1	369.398	2.950	50	30		FFEAMM
O=C(c1ccco1)C1=C([O-])C(=O)N(c2ncccn2)[C@H]1c1ccc(F)cc1	ZINC000102437237	209235526	/nfs/dbraw/zinc/23/55/26/209235526.db2.gz	PQLNHAJYFQSPQK-IDTYTIONSA-N	-1	1	365.320	2.835	50	30		FFEAMM
CCn1cnnc1-c1cccc([N-]S(=O)(=O)c2cccc(C#N)c2)c1	ZINC000032096180	208025890	/nfs/dbraw/zinc/02/58/90/208025890.db2.gz	GTBXZHSBURNZFM-UHFFFAOYSA-N	-1	1	353.407	2.637	50	30		FFEAMM
Cc1ccc([C@@H]2C3=C(Nc4nc(N)[n-]c(=O)c42)c2ccccc2C3=O)cc1	ZINC000040382594	208249049	/nfs/dbraw/zinc/24/90/49/208249049.db2.gz	ZTPLQYDLTLOZBX-CQSZACIVSA-N	-1	1	356.385	2.826	50	30		FFEAMM
COc1cc(NC(=O)[N-]S(=O)(=O)c2ccc(C)cc2)cc(OC)c1	ZINC000002807432	506295160	/nfs/dbraw/zinc/29/51/60/506295160.db2.gz	LXBPXTWQWUEGEN-UHFFFAOYSA-N	-1	1	350.396	2.727	50	30		FFEAMM
COc1cc(NC([O-])=NS(=O)(=O)c2ccc(C)cc2)cc(OC)c1	ZINC000002807432	506295167	/nfs/dbraw/zinc/29/51/67/506295167.db2.gz	LXBPXTWQWUEGEN-UHFFFAOYSA-N	-1	1	350.396	2.727	50	30		FFEAMM
COC(=O)C(CC(=O)c1cccs1)=NNc1[n-]c(=O)nc2ccccc21	ZINC000606442596	521069179	/nfs/dbraw/zinc/06/91/79/521069179.db2.gz	MQSHJEBQOQBDFG-UHFFFAOYSA-N	-1	1	370.390	2.611	50	30		FFEAMM
COC(=O)C[C@@H](c1ccc(O)cc1)C1=C([O-])C(=O)c2ccccc2C1=O	ZINC000217749513	222674727	/nfs/dbraw/zinc/67/47/27/222674727.db2.gz	NVOQKBOWIRAJIZ-HNNXBMFYSA-N	-1	1	352.342	2.930	50	30	biogenic	FFEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@H]2c2ccco2)s1	ZINC000013722235	220089740	/nfs/dbraw/zinc/08/97/40/220089740.db2.gz	JZEOUSICITZRLB-GFCCVEGCSA-N	-1	1	357.347	2.815	50	30		FFEAMM
O=C1NN(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C1\[N-]c2ccccc2C1=O	ZINC000100164461	222238555	/nfs/dbraw/zinc/23/85/55/222238555.db2.gz	DKPLKYYSZIMXOP-YPKPFQOOSA-N	-1	1	374.183	2.934	50	30	biogenic	FFEAMM
C=CCOC(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)c2c([n-][nH]c2=O)C[C@]1(C)O	ZINC000239339169	518975289	/nfs/dbraw/zinc/97/52/89/518975289.db2.gz	LUAULMSEBPVYAT-YEWWUXTCSA-N	-1	1	362.813	2.553	50	30		FFEAMM
CC1CCN(c2nc3c(c(=O)[n-]2)[C@H](c2ccc(C#N)cc2)CC(=O)N3)CC1	ZINC000585655784	571320725	/nfs/dbraw/zinc/32/07/25/571320725.db2.gz	LTRPOGZBTCIIKK-HNNXBMFYSA-N	-1	1	363.421	2.764	50	30		FFEAMM
C=CCN1C(=O)C(=Cc2cccn2-c2ccc(OC)cc2)C(=O)[N-]C1=S	ZINC000001278593	210147593	/nfs/dbraw/zinc/14/75/93/210147593.db2.gz	JMMIMFRDMQSJCE-VBKFSLOCSA-N	-1	1	367.430	2.710	50	30		FFEAMM
O=S(=O)([N-]/N=C\c1cccc(O)c1O)c1cc(Cl)ccc1Cl	ZINC000017074369	211176876	/nfs/dbraw/zinc/17/68/76/211176876.db2.gz	QBPBKKQOXMHPRH-APSNUPSMSA-N	-1	1	361.206	2.717	50	30		FFEAMM
COC(=O)[N-]C(=O)c1c(C)c(C)sc1NC(=O)c1ccc(C#N)cc1	ZINC000004570462	506383017	/nfs/dbraw/zinc/38/30/17/506383017.db2.gz	KBPHTTUKKUEWTK-UHFFFAOYSA-N	-1	1	357.391	2.985	50	30		FFEAMM
C=CCn1c(=O)c2ccccc2nc1SCC(=O)c1ccc([O-])c(O)c1	ZINC000008282370	506638453	/nfs/dbraw/zinc/63/84/53/506638453.db2.gz	KHMKIBRDCBSBRC-UHFFFAOYSA-N	-1	1	368.414	2.969	50	30		FFEAMM
C[C@@H](C#N)CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1	ZINC000045851229	507033648	/nfs/dbraw/zinc/03/36/48/507033648.db2.gz	WZSSIELWEXXHOJ-AWEZNQCLSA-N	-1	1	357.435	2.719	50	30		FFEAMM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2-n2ncc(C#N)c2N)cc1C	ZINC000024578327	507421788	/nfs/dbraw/zinc/42/17/88/507421788.db2.gz	PCASDVDZHPLMHF-UHFFFAOYSA-N	-1	1	367.434	2.744	50	30		FFEAMM
CCOC(=O)C(Cc1ccccc1)=NNc1[n-]c(=O)nc2ccccc21	ZINC000606442572	521068854	/nfs/dbraw/zinc/06/88/54/521068854.db2.gz	CVICTEHWCNBFPC-UHFFFAOYSA-N	-1	1	350.378	2.909	50	30		FFEAMM
O=C([N-]S(=O)(=O)c1ccccc1Cl)Nc1ccccc1[N+](=O)[O-]	ZINC000004011760	727777730	/nfs/dbraw/zinc/77/77/30/727777730.db2.gz	MYNUJXLGBFOMRN-UHFFFAOYSA-N	-1	1	355.759	2.963	50	30		FFEAMM
O=[N+]([O-])c1ccccc1NC([O-])=NS(=O)(=O)c1ccccc1Cl	ZINC000004011760	727777732	/nfs/dbraw/zinc/77/77/32/727777732.db2.gz	MYNUJXLGBFOMRN-UHFFFAOYSA-N	-1	1	355.759	2.963	50	30		FFEAMM
C#CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(OC(C)C)cc1)CC(=O)N2	ZINC000021784700	210157020	/nfs/dbraw/zinc/15/70/20/210157020.db2.gz	ZHEMLNDAMQFIAI-AWEZNQCLSA-N	-1	1	369.446	2.757	50	30		FFEAMM
COC(=O)c1cc([N-]S(=O)(=O)c2cccc(C#N)c2)ccc1Cl	ZINC000012914789	211007142	/nfs/dbraw/zinc/00/71/42/211007142.db2.gz	DUZIOKXFFVKDFN-UHFFFAOYSA-N	-1	1	350.783	2.799	50	30		FFEAMM
CCOc1nc(/C(N)=N\[O-])nc(N(c2ccccc2)c2ccccc2)n1	ZINC000004622604	506386824	/nfs/dbraw/zinc/38/68/24/506386824.db2.gz	KQXPUBYYLZTTEL-UHFFFAOYSA-N	-1	1	350.382	2.835	50	30		FFEAMM
CSc1nc2c(c(=O)[n-]1)[C@H](c1cccc(O)c1)C1=C(CCCC1=O)N2	ZINC000008568473	506658370	/nfs/dbraw/zinc/65/83/70/506658370.db2.gz	BDHQILMLAVLKCX-CYBMUJFWSA-N	-1	1	355.419	2.762	50	30		FFEAMM
C=CCn1cc(CN2CCC(Oc3cccc(F)c3)(C(=O)[O-])CC2)cn1	ZINC000072428207	507789208	/nfs/dbraw/zinc/78/92/08/507789208.db2.gz	VBDUFQYAADUOPK-UHFFFAOYSA-N	-1	1	359.401	2.706	50	30		FFEAMM
COc1cc(/C=C\C(=O)c2ccccc2[N-]S(C)(=O)=O)cc(OC)c1	ZINC000606443264	521068289	/nfs/dbraw/zinc/06/82/89/521068289.db2.gz	CPOJYXDVGPRCBZ-HJWRWDBZSA-N	-1	1	361.419	2.971	50	30		FFEAMM
O=c1[nH]c(=O)n(-c2ccc(F)cc2)c([O-])c1C=Nc1ccc(Cl)cc1	ZINC000101578862	570821656	/nfs/dbraw/zinc/82/16/56/570821656.db2.gz	KAFOQVOGJRJZRR-AWQFTUOYSA-N	-1	1	359.744	2.775	50	30		FFEAMM
CCOc1cc2c(cc1C=CC(=O)c1c([O-])cc(C)oc1=O)O[C@H](C)C2	ZINC000103337963	970114577	/nfs/dbraw/zinc/11/45/77/970114577.db2.gz	OBCVPHNYJUUJRL-ZHHQGROYSA-N	-1	1	356.374	2.637	50	30		FFEAMM
C=CCN(Cc1ccccc1)C(=O)Cc1c(C)nc(-c2ccccn2)[n-]c1=O	ZINC000058105026	210073437	/nfs/dbraw/zinc/07/34/37/210073437.db2.gz	QIFIYEWGZYISAR-UHFFFAOYSA-N	-1	1	374.444	2.898	50	30		FFEAMM
COc1ccc([C@@H]2C3=C(Nc4nc(N)[n-]c(=O)c42)c2ccccc2C3=O)cc1	ZINC000002431374	210398559	/nfs/dbraw/zinc/39/85/59/210398559.db2.gz	FALNPNWWOLJMAK-CQSZACIVSA-N	-1	1	372.384	2.526	50	30		FFEAMM
COc1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2c2ccc(C(=O)[O-])cc2)cc1	ZINC000020112791	220312990	/nfs/dbraw/zinc/31/29/90/220312990.db2.gz	PHLFNHVHYKBKEN-KRWDZBQOSA-N	-1	1	367.357	2.882	50	30	biogenic	FFEAMM
COc1cccc(NC(=O)C(O)=CC(=O)c2cc(OC)ccc2OC)c1	ZINC000101355592	222272057	/nfs/dbraw/zinc/27/20/57/222272057.db2.gz	LNDXMTVNDWLHRM-BOPFTXTBSA-N	-1	1	357.362	2.976	50	30		FFEAMM
COc1cccc(NC(=O)C([O-])=CC(=O)c2cc(OC)ccc2OC)c1	ZINC000101355592	222272058	/nfs/dbraw/zinc/27/20/58/222272058.db2.gz	LNDXMTVNDWLHRM-BOPFTXTBSA-N	-1	1	357.362	2.976	50	30		FFEAMM
Cc1sc2[n-]c([C@H](C#N)C(=O)Nc3ccccc3F)nc(=O)c2c1C	ZINC000089562884	507847249	/nfs/dbraw/zinc/84/72/49/507847249.db2.gz	OAIAJIQETOXKPO-JTQLQIEISA-N	-1	1	356.382	2.986	50	30		FFEAMM
CCNC(=O)COc1ccc(/C=C2/Oc3cc([O-])ccc3C2=O)cc1OC	ZINC000096930462	521738430	/nfs/dbraw/zinc/73/84/30/521738430.db2.gz	YGDULCPXOIBZOG-GIJQJNRQSA-N	-1	1	369.373	2.532	50	30		FFEAMM
C=CCn1c(Cc2csc(NC(=O)c3cnc(C)cn3)n2)n[n-]c1=S	ZINC000024830300	210161420	/nfs/dbraw/zinc/16/14/20/210161420.db2.gz	WJQNOWBATJGTDL-UHFFFAOYSA-N	-1	1	373.467	2.525	50	30		FFEAMM
CCNC([O-])=NS(=O)(=O)c1cnccc1Nc1cccc(Cl)c1	ZINC000000987844	210299019	/nfs/dbraw/zinc/29/90/19/210299019.db2.gz	YBJOYWAMFILUAI-UHFFFAOYSA-N	-1	1	354.819	2.691	50	30		FFEAMM
CCNC(=O)N=S(=O)([O-])c1cnccc1Nc1cccc(Cl)c1	ZINC000000987844	210299022	/nfs/dbraw/zinc/29/90/22/210299022.db2.gz	YBJOYWAMFILUAI-UHFFFAOYSA-N	-1	1	354.819	2.691	50	30		FFEAMM
C=CCOC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)c2c([n-][nH]c2=O)C[C@]1(C)O	ZINC000239339168	518976719	/nfs/dbraw/zinc/97/67/19/518976719.db2.gz	LUAULMSEBPVYAT-XUWXXGDYSA-N	-1	1	362.813	2.553	50	30		FFEAMM
N#C[C@@H]1CCCN(C(=O)c2cnc(CSc3ccccc3)[n-]c2=O)C1	ZINC000091830511	526499645	/nfs/dbraw/zinc/49/96/45/526499645.db2.gz	SAIUHGRFAGVPQF-ZDUSSCGKSA-N	-1	1	354.435	2.850	50	30		FFEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@H]2c2cccnc2)s1	ZINC000013733024	220091473	/nfs/dbraw/zinc/09/14/73/220091473.db2.gz	STORUOVCRAHZTP-CYBMUJFWSA-N	-1	1	368.374	2.617	50	30		FFEAMM
COc1ccc([C@@H]2c3c(nc(N)[n-]c3=O)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000018219513	211195835	/nfs/dbraw/zinc/19/58/35/211195835.db2.gz	FTDLQJXJDYEQCM-AWEZNQCLSA-N	-1	1	366.421	2.561	50	30		FFEAMM
CCSc1nc2c(c(=O)[n-]1)[C@H](c1cccnc1)C1=C(CCCC1=O)N2	ZINC000000959813	210295967	/nfs/dbraw/zinc/29/59/67/210295967.db2.gz	PBTAOTCVFDCJLX-CYBMUJFWSA-N	-1	1	354.435	2.841	50	30		FFEAMM
C/C(=N\[O-])c1cc2c(cc1NC=C1C(=O)c3ccccc3C1=O)OCO2	ZINC000100936765	222258266	/nfs/dbraw/zinc/25/82/66/222258266.db2.gz	IVOJBNMSLLECMZ-UFFVCSGVSA-N	-1	1	350.330	2.989	50	30		FFEAMM
Cc1c([N+](=O)[O-])c(C(=O)[N-]c2sc3c(c2C#N)CC[C@H](C)C3)nn1C	ZINC000002782495	506293432	/nfs/dbraw/zinc/29/34/32/506293432.db2.gz	XOFUZPWNRGSEFK-QMMMGPOBSA-N	-1	1	359.411	2.947	50	30		FFEAMM
Cc1ccc([C@@H]2c3c(nc(N)[n-]c3=O)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000004385819	506374752	/nfs/dbraw/zinc/37/47/52/506374752.db2.gz	SHUHKTRZAXBVBG-AWEZNQCLSA-N	-1	1	350.422	2.861	50	30		FFEAMM
CCN(CC)C1=C(C(=O)c2ccccc2)[N-]S(=O)(=O)c2ccccc21	ZINC000004812363	506395837	/nfs/dbraw/zinc/39/58/37/506395837.db2.gz	OBKSXZCPNZROAN-UHFFFAOYSA-N	-1	1	356.447	2.872	50	30		FFEAMM
O=c1[nH]c(=O)n(-c2ccc(F)cc2)c([O-])c1C=Nc1cccc(Cl)c1	ZINC000104228310	570857979	/nfs/dbraw/zinc/85/79/79/570857979.db2.gz	YRRAKXZXFDXYBE-AWQFTUOYSA-N	-1	1	359.744	2.775	50	30		FFEAMM
COc1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)cc1Br	ZINC000024602412	727853579	/nfs/dbraw/zinc/85/35/79/727853579.db2.gz	JBLQMOIXKVZQDO-UJAVWCLSSA-N	-1	1	365.179	2.686	50	30		FFEAMM
Cc1nn(-c2ccc(F)cc2)c(C)c1C=CC(=O)c1c([O-])cc(C)oc1=O	ZINC000105328977	1010310594	/nfs/dbraw/zinc/31/05/94/1010310594.db2.gz	SKUQITFVZVNEIA-QWUACUGRSA-N	-1	1	368.364	2.856	50	30		FFEAMM
Cc1cc([O-])c(C(=O)C=Cc2ccc(Br)cc2F)c(=O)o1	ZINC000023479670	211390017	/nfs/dbraw/zinc/39/00/17/211390017.db2.gz	PJMSHMXUSVCASR-LYKUJDHUSA-N	-1	1	353.143	2.816	50	30		FFEAMM
Cc1cc([O-])c(C(=O)C=Cc2ccc(F)c(Br)c2)c(=O)o1	ZINC000022344501	211348326	/nfs/dbraw/zinc/34/83/26/211348326.db2.gz	AQWWBRBVGFZMMC-KQIUPUNMSA-N	-1	1	353.143	2.816	50	30		FFEAMM
O=c1[nH]c2cc([N+](=O)[O-])c([N+](=O)[O-])cc2nc1C=C([O-])c1ccc(F)cc1	ZINC000004821961	506397722	/nfs/dbraw/zinc/39/77/22/506397722.db2.gz	DRRXVOGGJBXZOK-GHXNOFRVSA-N	-1	1	372.268	2.773	50	30		FFEAMM
CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1	ZINC000007054081	506528590	/nfs/dbraw/zinc/52/85/90/506528590.db2.gz	ZLKRFLCHLAYXIR-UHFFFAOYSA-N	-1	1	357.435	2.841	50	30		FFEAMM
COC(=O)C[C@@H](c1cccc(O)c1)C1=C([O-])C(=O)c2ccccc2C1=O	ZINC000217665226	509271316	/nfs/dbraw/zinc/27/13/16/509271316.db2.gz	OFGPIMVMKXKDKK-HNNXBMFYSA-N	-1	1	352.342	2.930	50	30	biogenic	FFEAMM
C#CCOc1ccc(C=C(Sc2nc(C)n[nH]2)C(=O)[O-])cc1OCC	ZINC000005967510	518319345	/nfs/dbraw/zinc/31/93/45/518319345.db2.gz	FYCYNWXCQCZKKV-GDNBJRDFSA-N	-1	1	359.407	2.742	50	30		FFEAMM
C#CCOc1ccc(C=C(Sc2n[nH]c(C)n2)C(=O)[O-])cc1OCC	ZINC000005967510	518319353	/nfs/dbraw/zinc/31/93/53/518319353.db2.gz	FYCYNWXCQCZKKV-GDNBJRDFSA-N	-1	1	359.407	2.742	50	30		FFEAMM
CCCCOc1ccc(/C(C)=N\N=C2/NC(=O)C(CC(=O)[O-])S2)cc1	ZINC000004813998	520852625	/nfs/dbraw/zinc/85/26/25/520852625.db2.gz	MLWIGHKKTHQPLV-KVMVOAJRSA-N	-1	1	363.439	2.652	50	30		FFEAMM
Cc1nn(-c2ccc(F)cc2)c(C)c1C=CC(=O)c1c([O-])cc(C)oc1=O	ZINC000102500217	1014618695	/nfs/dbraw/zinc/61/86/95/1014618695.db2.gz	SKUQITFVZVNEIA-CSHXORCISA-N	-1	1	368.364	2.856	50	30		FFEAMM
N#Cc1ccc(CN2CCN(C(=O)c3cc(Cl)ccc3[O-])CC2)cc1	ZINC000021905751	211330945	/nfs/dbraw/zinc/33/09/45/211330945.db2.gz	NMRPDFCJKGWTAP-UHFFFAOYSA-N	-1	1	355.825	2.875	50	30		FFEAMM
N#Cc1cccc(S(=O)(=O)[N-]c2cccc(Oc3ncccn3)c2)c1	ZINC000032091303	506230233	/nfs/dbraw/zinc/23/02/33/506230233.db2.gz	FLGBJDCOIODCAA-UHFFFAOYSA-N	-1	1	352.375	2.941	50	30		FFEAMM
Cc1cc([O-])c(C(=O)C=Cc2ccc(F)c(Br)c2)c(=O)o1	ZINC000048520681	728052486	/nfs/dbraw/zinc/05/24/86/728052486.db2.gz	AQWWBRBVGFZMMC-PKXJPQMGSA-N	-1	1	353.143	2.816	50	30		FFEAMM
COc1ccc(NC(=O)[N-]S(=O)(=O)c2ccc(C)cc2)c(OC)c1	ZINC000000862254	219333058	/nfs/dbraw/zinc/33/30/58/219333058.db2.gz	DTFJCVKLBXSCLC-UHFFFAOYSA-N	-1	1	350.396	2.727	50	30		FFEAMM
COc1ccc(NC([O-])=NS(=O)(=O)c2ccc(C)cc2)c(OC)c1	ZINC000000862254	219333061	/nfs/dbraw/zinc/33/30/61/219333061.db2.gz	DTFJCVKLBXSCLC-UHFFFAOYSA-N	-1	1	350.396	2.727	50	30		FFEAMM
N#CC(C#N)[C@@H](c1c([O-])n(C(N)=S)nc1-c1ccccc1)c1ccccc1	ZINC000018084116	220223707	/nfs/dbraw/zinc/22/37/07/220223707.db2.gz	UUSFZGQQLMQWSW-DLBZAZTESA-N	-1	1	373.441	2.540	50	30		FFEAMM
CCN1c2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3)cc2CCC1=O	ZINC000075550141	136150736	/nfs/dbraw/zinc/15/07/36/136150736.db2.gz	TWUNITGYSUXQGU-UHFFFAOYSA-N	-1	1	355.419	2.658	50	30		FFEAMM
COc1cc(C=CC(=O)c2c([O-])cc(C)oc2=O)ccc1OC(F)F	ZINC000033725864	506362280	/nfs/dbraw/zinc/36/22/80/506362280.db2.gz	CALABHBDSDRAPK-QTLSWZBMSA-N	-1	1	352.289	2.525	50	30		FFEAMM
C=CCN1C(=O)/C(=C\c2ccc(-c3ccc(F)cc3)o2)C(=O)[N-]C1=S	ZINC000012343704	506853217	/nfs/dbraw/zinc/85/32/17/506853217.db2.gz	WVWLXSGWPMGOHI-UVTDQMKNSA-N	-1	1	356.378	2.898	50	30		FFEAMM
O=C(CCCn1cnc2ccccc2c1=O)Nc1n[n-]c(C(F)(F)F)n1	ZINC000026252952	507572552	/nfs/dbraw/zinc/57/25/52/507572552.db2.gz	HHFQMJDRTMOTIJ-UHFFFAOYSA-N	-1	1	366.303	2.602	50	30		FFEAMM
Nc1c(-c2nc3ccccc3s2)c([O-])cn1N=Cc1ccc(O)cc1	ZINC000013692037	220087166	/nfs/dbraw/zinc/08/71/66/220087166.db2.gz	WLDNVAGEMOQTAI-AWQFTUOYSA-N	-1	1	350.403	2.548	50	30		FFEAMM
CCOC(=O)c1nc[nH]c1[N-]N=C(C#N)C(=O)Nc1ccc(Cl)cc1	ZINC000018152803	220224869	/nfs/dbraw/zinc/22/48/69/220224869.db2.gz	FPEWIRRZGABGET-NHDPSOOVSA-N	-1	1	360.761	2.819	50	30		FFEAMM
C=CCn1c(=O)c2ccccc2nc1SCC(=O)c1ccc([O-])cc1O	ZINC000006313063	506476112	/nfs/dbraw/zinc/47/61/12/506476112.db2.gz	DDMJKRXXMOLEPA-UHFFFAOYSA-N	-1	1	368.414	2.969	50	30		FFEAMM
N#C[C@H]1CCCN(C(=O)c2cnc(C34CC5CC(CC(C5)C3)C4)[n-]c2=O)C1	ZINC000091966433	508028295	/nfs/dbraw/zinc/02/82/95/508028295.db2.gz	WTXNBGXMDDHQRA-BUBBNXEVSA-N	-1	1	366.465	2.613	50	30		FFEAMM
Cc1ccc(C(=O)C2=C(O)C(=O)N(CC(=O)[O-])[C@H]2c2ccccc2)cc1	ZINC000013202585	220061129	/nfs/dbraw/zinc/06/11/29/220061129.db2.gz	MOXJPPPSICWVIS-KRWDZBQOSA-N	-1	1	351.358	2.658	50	30		FFEAMM
C=CCN1C(=O)/C(=C/c2ccc3c(c2)CCCN3CCC)C(=O)[N-]C1=S	ZINC000009359322	132373258	/nfs/dbraw/zinc/37/32/58/132373258.db2.gz	CBVRNKHUXZRTLB-DTQAZKPQSA-N	-1	1	369.490	2.662	50	30		FFEAMM
CC(=O)C1=C(O)C(=O)N(c2ccc(OCC(=O)[O-])cc2)[C@@H]1c1ccccc1	ZINC000004576380	506382812	/nfs/dbraw/zinc/38/28/12/506382812.db2.gz	CJQVDNYZDSSPEY-GOSISDBHSA-N	-1	1	367.357	2.639	50	30		FFEAMM
CCc1[nH]nc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c1Br	ZINC000089279945	507826841	/nfs/dbraw/zinc/82/68/41/507826841.db2.gz	IUTZNJLTDIXRNE-UHFFFAOYSA-N	-1	1	369.244	2.716	50	30		FFEAMM
Cc1sc2[n-]c([C@@H](C#N)C(=O)Nc3ccccc3F)nc(=O)c2c1C	ZINC000089562883	507847034	/nfs/dbraw/zinc/84/70/34/507847034.db2.gz	OAIAJIQETOXKPO-SNVBAGLBSA-N	-1	1	356.382	2.986	50	30		FFEAMM
COc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2NC2CC2)cc1OC	ZINC000170619888	509683215	/nfs/dbraw/zinc/68/32/15/509683215.db2.gz	QWIYLWRIJPQUDH-UHFFFAOYSA-N	-1	1	373.434	2.951	50	30		FFEAMM
CCCCOc1ccc(/C(C)=N\N=C2/NC(=O)C(CC(=O)[O-])S2)cc1	ZINC000004814003	520852180	/nfs/dbraw/zinc/85/21/80/520852180.db2.gz	MLWIGHKKTHQPLV-AXLWCPOOSA-N	-1	1	363.439	2.652	50	30		FFEAMM
O=C([N-]S(=O)(=O)c1ccccc1Cl)Nc1cccc([N+](=O)[O-])c1	ZINC000000754137	219317613	/nfs/dbraw/zinc/31/76/13/219317613.db2.gz	VUGJVMSXPBRNQO-UHFFFAOYSA-N	-1	1	355.759	2.963	50	30		FFEAMM
O=[N+]([O-])c1cccc(NC([O-])=NS(=O)(=O)c2ccccc2Cl)c1	ZINC000000754137	219317616	/nfs/dbraw/zinc/31/76/16/219317616.db2.gz	VUGJVMSXPBRNQO-UHFFFAOYSA-N	-1	1	355.759	2.963	50	30		FFEAMM
CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(CC#N)CC3)cc1	ZINC000065563655	221234010	/nfs/dbraw/zinc/23/40/10/221234010.db2.gz	BWLPCPSAWJVHDW-UHFFFAOYSA-N	-1	1	355.419	2.576	50	30		FFEAMM
Cc1cc(=O)[n-]c(NN=C2c3ccccc3N(Cc3ccccc3)C2=O)n1	ZINC000100147163	222237367	/nfs/dbraw/zinc/23/73/67/222237367.db2.gz	ONLVQSVDGIGDHK-NKFKGCMQSA-N	-1	1	359.389	2.854	50	30		FFEAMM
Cc1cc([O-])c(C(=O)C=Cc2ccc(Br)cc2F)c(=O)o1	ZINC000048520691	728052379	/nfs/dbraw/zinc/05/23/79/728052379.db2.gz	PJMSHMXUSVCASR-PKXJPQMGSA-N	-1	1	353.143	2.816	50	30		FFEAMM
COc1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)cc1Br	ZINC000048520673	728052590	/nfs/dbraw/zinc/05/25/90/728052590.db2.gz	JBLQMOIXKVZQDO-UYWPIULCSA-N	-1	1	365.179	2.686	50	30		FFEAMM
Nc1c(-c2nc3ccccc3s2)c([O-])cn1N=Cc1cccc(O)c1	ZINC000013693300	220086848	/nfs/dbraw/zinc/08/68/48/220086848.db2.gz	GFIROIYFKOKZGI-AWQFTUOYSA-N	-1	1	350.403	2.548	50	30		FFEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(OCC)cc1)CC(=O)N2	ZINC000004944382	506409940	/nfs/dbraw/zinc/40/99/40/506409940.db2.gz	WESMSCTZOZALAU-ZDUSSCGKSA-N	-1	1	357.435	2.921	50	30		FFEAMM
COc1cc([C@H]2c3c(=O)[n-]c(=S)[nH]c3NC3=C2C(=O)CCC3)ccc1O	ZINC000005072696	506420256	/nfs/dbraw/zinc/42/02/56/506420256.db2.gz	AJNURQCXMVWGLA-CYBMUJFWSA-N	-1	1	371.418	2.711	50	30		FFEAMM
COC(=O)C(CC(=O)c1ccccc1)=NNc1[n-]c(=O)nc2ccccc21	ZINC000606442953	521068618	/nfs/dbraw/zinc/06/86/18/521068618.db2.gz	YINOQIFKBDNDFV-UHFFFAOYSA-N	-1	1	364.361	2.549	50	30		FFEAMM
CCCCOc1ccc(/C(C)=N/N=C2\NC(=O)C(CC(=O)[O-])S2)cc1	ZINC000006778535	727787793	/nfs/dbraw/zinc/78/77/93/727787793.db2.gz	MLWIGHKKTHQPLV-HIPSJFSSSA-N	-1	1	363.439	2.652	50	30		FFEAMM
Cc1cc([O-])c(C(=O)C=Cc2ccc(Br)cc2F)c(=O)o1	ZINC000048520690	728052444	/nfs/dbraw/zinc/05/24/44/728052444.db2.gz	PJMSHMXUSVCASR-MFBWXBCUSA-N	-1	1	353.143	2.816	50	30		FFEAMM
Cc1nn(-c2ccc(F)cc2)c(C)c1C=CC(=O)c1c([O-])cc(C)oc1=O	ZINC000102500220	1014618456	/nfs/dbraw/zinc/61/84/56/1014618456.db2.gz	SKUQITFVZVNEIA-SGQUHAKNSA-N	-1	1	368.364	2.856	50	30		FFEAMM
O=C1c2ccccc2C(=O)C([N-]S(=O)(=O)c2cccs2)=C1Cl	ZINC000100672973	222248674	/nfs/dbraw/zinc/24/86/74/222248674.db2.gz	FZHAPDANAPDYQR-UHFFFAOYSA-N	-1	1	353.808	2.556	50	30		FFEAMM
C#CCOc1ccc(C=C(Sc2nnc(C)[nH]2)C(=O)[O-])cc1OCC	ZINC000002604676	263145221	/nfs/dbraw/zinc/14/52/21/263145221.db2.gz	FYCYNWXCQCZKKV-XNTDXEJSSA-N	-1	1	359.407	2.742	50	30		FFEAMM
C#CCOc1ccc(C=C(Sc2n[nH]c(C)n2)C(=O)[O-])cc1OCC	ZINC000002604676	263145222	/nfs/dbraw/zinc/14/52/22/263145222.db2.gz	FYCYNWXCQCZKKV-XNTDXEJSSA-N	-1	1	359.407	2.742	50	30		FFEAMM
COc1ccc(C(=O)/C=C/c2cc(C(=O)[O-])cc3c2OCOC3)c(O)c1	ZINC000004024744	506354896	/nfs/dbraw/zinc/35/48/96/506354896.db2.gz	NQOMGQFTSYCBDO-GORDUTHDSA-N	-1	1	356.330	2.862	50	30	biogenic	FFEAMM
C=CCn1c(SCC(=O)c2ccc([O-])c(O)c2)nnc1-c1ccncc1	ZINC000006317557	506476349	/nfs/dbraw/zinc/47/63/49/506476349.db2.gz	AWXXEKSGPLGXPY-UHFFFAOYSA-N	-1	1	368.418	2.912	50	30		FFEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@@H]2c2ccncc2)no1	ZINC000009411240	506695436	/nfs/dbraw/zinc/69/54/36/506695436.db2.gz	MNNHRYLZPCCNTL-HNNXBMFYSA-N	-1	1	351.318	2.754	50	30		FFEAMM
O=C([O-])CN1C(=O)C(=O)C(C(=O)C=Cc2ccccc2)[C@@H]1c1ccccc1	ZINC000015769387	220163773	/nfs/dbraw/zinc/16/37/73/220163773.db2.gz	RYRBOMNGXSPTHZ-JZHDPFOFSA-N	-1	1	363.369	2.749	50	30		FFEAMM
N#Cc1ccccc1N1CCN(C(=O)c2cc3ccccc3cc2[O-])CC1=O	ZINC000082099888	132194945	/nfs/dbraw/zinc/19/49/45/132194945.db2.gz	HXRQKJFLVZMQHP-UHFFFAOYSA-N	-1	1	371.396	2.906	50	30		FFEAMM
COc1cccc(C=Nn2c(=O)cn[n-]c2=S)c1OCc1ccccc1	ZINC000005182327	506427797	/nfs/dbraw/zinc/42/77/97/506427797.db2.gz	XPGGJUFAHUCYGB-KEBDBYFISA-N	-1	1	368.418	2.771	50	30		FFEAMM
C#CCOc1c(Cl)cc(C=CC(=O)c2c([O-])cc(C)oc2=O)cc1OC	ZINC000023162668	507334689	/nfs/dbraw/zinc/33/46/89/507334689.db2.gz	YXALLISVKVDUMD-FUTAKVPZSA-N	-1	1	374.776	2.589	50	30		FFEAMM
CCCc1cc(=O)[n-]c(NN=Cc2ccc(OC)c(Br)c2)n1	ZINC000004749518	521342485	/nfs/dbraw/zinc/34/24/85/521342485.db2.gz	KXASXGNXBAPAQZ-RQZCQDPDSA-N	-1	1	365.231	2.940	50	30		FFEAMM
Cc1cc([O-])c(C(=O)C=Cc2cc(Br)ccc2F)c(=O)o1	ZINC000048520749	728052319	/nfs/dbraw/zinc/05/23/19/728052319.db2.gz	WCRGOHCUFLDOLV-DQWBNOTDSA-N	-1	1	353.143	2.816	50	30		FFEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@H]2c2ccccn2)s1	ZINC000013725437	220091123	/nfs/dbraw/zinc/09/11/23/220091123.db2.gz	DXTHUVFFCOSRDN-CYBMUJFWSA-N	-1	1	368.374	2.617	50	30		FFEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@@H]2c2ccc(O)cc2)no1	ZINC000102894753	222313387	/nfs/dbraw/zinc/31/33/87/222313387.db2.gz	TZFXVDHTFVYEGF-UYTDBDHRSA-N	-1	1	366.329	2.908	50	30		FFEAMM