smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCOc1cccc(/C=C(/CC(=O)[O-])c2nc3ccccc3s2)c1	ZINC000006904985	210107335	/nfs/dbraw/zinc/10/73/35/210107335.db2.gz	VWJBPMSLHCYFSE-PTNGSMBKSA-N	-1	0	351.427	4.876	50	30		FJEARM
O=[N+]([O-])C(=C([O-])c1ccccc1)[C@@H](c1c[nH]c2ccccc21)c1ccccc1	ZINC000002303138	204032625	/nfs/dbraw/zinc/03/26/25/204032625.db2.gz	DIIAGCCUJQJDPE-FGZHOGPDSA-N	-1	0	370.408	4.828	50	30		FJEARM
Oc1ccc2ccccc2c1C=Nn1c(=S)[n-]nc1C1CCCCC1	ZINC000005648623	204219130	/nfs/dbraw/zinc/21/91/30/204219130.db2.gz	LILNRAQFQLWKEF-UDWIEESQSA-N	-1	0	352.463	4.729	50	30		FJEARM
CC(C=Nn1c(=S)[n-]nc1-c1ccc(N(C)C)cc1)=Cc1ccccc1	ZINC000005789128	204225622	/nfs/dbraw/zinc/22/56/22/204225622.db2.gz	LCNLRNDVDYLQOK-PLTPNBMQSA-N	-1	0	363.490	4.611	50	30		FJEARM
O=C([O-])c1ccccc1-c1ccc(C=NN=c2[nH]c3ccccc3s2)o1	ZINC000009193482	210820406	/nfs/dbraw/zinc/82/04/06/210820406.db2.gz	HHMAFYGQLZKZOI-RGVLZGJSSA-N	-1	0	363.398	4.701	50	30		FJEARM
N#CC(=NNc1c(Cl)cc(Cl)cc1Cl)C(=O)c1ccccc1	ZINC000103612459	222339743	/nfs/dbraw/zinc/33/97/43/222339743.db2.gz	ZKOHIPOBPRQIBN-DEDYPNTBSA-N	-1	0	352.608	4.821	50	30		FJEARM
Cc1ccccc1/N=C/c1cc(Br)cc(Br)c1[O-]	ZINC000101671460	222281202	/nfs/dbraw/zinc/28/12/02/222281202.db2.gz	SBOQCDPTUSRCCX-CAOOACKPSA-N	-1	0	369.056	4.976	50	30		FJEARM
C=C[C@]1(C)CC2=CC[C@@H]3[C@](C)(C(=O)[O-])CCC[C@]3(C)[C@@H]2C[C@@H]1OC(C)=O	ZINC000253388412	519304748	/nfs/dbraw/zinc/30/47/48/519304748.db2.gz	TUKYTUMQZQFKNX-IQHZCEOMSA-N	-1	0	360.494	4.748	50	30	biogenic,in-vitro	FJEARM
CCc1n[n-]c(=S)n1N=Cc1ccccc1OCc1ccc(Cl)cc1	ZINC000005962064	522129540	/nfs/dbraw/zinc/12/95/40/522129540.db2.gz	BGUZBXOYYSDKII-RGVLZGJSSA-N	-1	0	372.881	4.618	50	30		FJEARM
Cc1ccc(O)c(N=Cc2cc(Cc3ccccc3)cc([N+](=O)[O-])c2[O-])c1	ZINC000252615817	525354768	/nfs/dbraw/zinc/35/47/68/525354768.db2.gz	JVGYVWIHLXCCDF-UHFFFAOYSA-N	-1	0	362.385	4.656	50	30		FJEARM
O=C([O-])c1ccc(COc2ccccc2/C=N/OCc2ccccc2)cc1	ZINC000015013503	526369059	/nfs/dbraw/zinc/36/90/59/526369059.db2.gz	LEGACIYNUPJCTF-OEAKJJBVSA-N	-1	0	361.397	4.515	50	30		FJEARM
O=C1C(=O)C([C@H](c2ccccc2)c2ccc(F)cc2)=C([O-])c2ccccc21	ZINC000001201992	570492045	/nfs/dbraw/zinc/49/20/45/570492045.db2.gz	QXEQCGHNWGAXMB-LJQANCHMSA-N	-1	0	358.368	4.849	50	30		FJEARM
Cc1ccc(N=Nc2c(=O)n(-c3ccccc3)[n-]c2-c2ccccc2)c(C)c1	ZINC000100006035	570498100	/nfs/dbraw/zinc/49/81/00/570498100.db2.gz	OPBZVBSTNRLNEG-LVWGJNHUSA-N	-1	0	368.440	4.522	50	30		FJEARM
COc1ccc(/N=C/c2c(C)c(Cl)c(C)c([N+](=O)[O-])c2[O-])cc1Cl	ZINC000003115302	570621814	/nfs/dbraw/zinc/62/18/14/570621814.db2.gz	ATDHQWHZBLUWLH-FBCYGCLPSA-N	-1	0	369.204	4.983	50	30		FJEARM
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccccc1C(=O)[O-]	ZINC000005302861	570646673	/nfs/dbraw/zinc/64/66/73/570646673.db2.gz	CANSTIUMXIJAOG-FQEVSTJZSA-N	-1	0	362.429	4.607	50	30		FJEARM
COc1ccc(C([O-])=CC(=O)c2ccccc2)c(OC(=O)c2ccccc2)c1	ZINC000103832474	570852726	/nfs/dbraw/zinc/85/27/26/570852726.db2.gz	DFWVZFJOEVEJAX-HMMYKYKNSA-N	-1	0	374.392	4.696	50	30		FJEARM
C=CCc1cc([N+](=O)[O-])cc(C=Nc2sc3c(c2C#N)CCCC3)c1[O-]	ZINC000245228870	571094944	/nfs/dbraw/zinc/09/49/44/571094944.db2.gz	HXMCQJORGTYURN-UHFFFAOYSA-N	-1	0	367.430	4.591	50	30		FJEARM
Cc1csc2nc(C)c(/C=C3\SC([O-])=N\C3=N/c3ccc(F)cc3)n12	ZINC000072401663	571135115	/nfs/dbraw/zinc/13/51/15/571135115.db2.gz	DUILZIAZLYCYSE-AUWJEWJLSA-N	-1	0	372.450	4.884	50	30		FJEARM
O=c1c(N=Nc2ccccc2Cl)c(-c2ccccc2)[n-]n1-c1ccccc1	ZINC000252460298	571279032	/nfs/dbraw/zinc/27/90/32/571279032.db2.gz	DEYDGTRLMDZJFC-UHFFFAOYSA-N	-1	0	374.831	4.559	50	30		FJEARM
CCc1ccc(O)c(N=Cc2cc(Cl)cc(Br)c2[O-])c1	ZINC000252590329	571283779	/nfs/dbraw/zinc/28/37/79/571283779.db2.gz	ARNKLAXHLRZQNQ-UHFFFAOYSA-N	-1	0	354.631	4.827	50	30		FJEARM
CC(=O)c1ccc(N=Cc2cc(Br)cc(Cl)c2[O-])cc1	ZINC000252594818	571284367	/nfs/dbraw/zinc/28/43/67/571284367.db2.gz	BVBFCZOQFZCYCJ-UHFFFAOYSA-N	-1	0	352.615	4.761	50	30		FJEARM
COc1ccc2c(c1)N(C)/C(=C/C=C/C=Nc1ccc(C(=O)[O-])cc1)S2	ZINC000253531717	571318779	/nfs/dbraw/zinc/31/87/79/571318779.db2.gz	AGUULNLLHJXMQV-HKIKTRNZSA-N	-1	0	366.442	4.735	50	30		FJEARM
CCCNc1c2ccccc2oc(=O)c1/N=C(\[O-])Nc1ccc(C)cc1	ZINC000028048666	571337748	/nfs/dbraw/zinc/33/77/48/571337748.db2.gz	OLJQEPQABFDHEC-UHFFFAOYSA-N	-1	0	351.406	4.581	50	30		FJEARM
[O-]c1c(Br)cc(Br)cc1/C=N/c1ccccc1F	ZINC000001107516	219370428	/nfs/dbraw/zinc/37/04/28/219370428.db2.gz	IOKYAHYBFWEYLH-REZTVBANSA-N	-1	0	373.019	4.807	50	30		FJEARM
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccccc1C(=O)[O-]	ZINC000005302897	219669885	/nfs/dbraw/zinc/66/98/85/219669885.db2.gz	CANSTIUMXIJAOG-HXUWFJFHSA-N	-1	0	362.429	4.607	50	30		FJEARM
O=[N+]([O-])c1ccc(-c2ccc(/N=C/c3cc([N+](=O)[O-])ccc3[O-])cc2)cc1	ZINC000003029307	204074127	/nfs/dbraw/zinc/07/41/27/204074127.db2.gz	FGNLNCYTDGSIQK-UDWIEESQSA-N	-1	0	363.329	4.626	50	30		FJEARM
CCOc1cccc(-c2n[n-]c(=S)n2N=Cc2ccccc2Cl)c1	ZINC000005408644	204206685	/nfs/dbraw/zinc/20/66/85/204206685.db2.gz	OMMUPUUUEGSSCT-YBFXNURJSA-N	-1	0	358.854	4.542	50	30		FJEARM
Fc1ccccc1-c1n[n-]c(=S)n1N=Cc1cccc(Cl)c1Cl	ZINC000006102793	204237118	/nfs/dbraw/zinc/23/71/18/204237118.db2.gz	UHNQIYSGXMERSN-UFWORHAWSA-N	-1	0	367.236	4.936	50	30		FJEARM
CCc1noc(C)c1C(=O)Nc1sc(C)c(-c2ccccc2)c1C#N	ZINC000013327717	220063238	/nfs/dbraw/zinc/06/32/38/220063238.db2.gz	DILMSAIRHWFKDP-UHFFFAOYSA-N	-1	0	351.431	4.706	50	30		FJEARM
Cc1ccc(N=CC(C(=O)C(F)(F)F)=C([O-])c2cccs2)cc1C	ZINC000100862372	205950313	/nfs/dbraw/zinc/95/03/13/205950313.db2.gz	WZQAUPGOZPKFDN-LCYFTJDESA-N	-1	0	353.365	4.675	50	30		FJEARM
O=C(C(C=Nc1cccc(Cl)c1)=C([O-])c1cccs1)C(F)(F)F	ZINC000105758187	206009456	/nfs/dbraw/zinc/00/94/56/206009456.db2.gz	GUNHNELRHOARNF-DHZHZOJOSA-N	-1	0	359.756	4.712	50	30		FJEARM
O=[N+]([O-])c1cc2oc3c(c2c(/C=N/Cc2ccccc2)c1[O-])CCCC3	ZINC000013119775	211024648	/nfs/dbraw/zinc/02/46/48/211024648.db2.gz	KJTHQCNMMLAXCE-CIAFOILYSA-N	-1	0	350.374	4.545	50	30		FJEARM
O=[N+]([O-])C(=C([O-])c1ccccc1)[C@H](c1c[nH]c2ccccc21)c1ccccc1	ZINC000002303136	210390157	/nfs/dbraw/zinc/39/01/57/210390157.db2.gz	DIIAGCCUJQJDPE-VXKWHMMOSA-N	-1	0	370.408	4.828	50	30		FJEARM
COc1ccc(/N=C/c2cc(Cl)cc(Br)c2[O-])cc1OC	ZINC000001427485	210352172	/nfs/dbraw/zinc/35/21/72/210352172.db2.gz	FIOSYFRAZRTJLE-QGMBQPNBSA-N	-1	0	370.630	4.576	50	30		FJEARM
CCCCCCCCCCCCNC(=O)c1c([O-])c2ccccc2[nH]c1=O	ZINC000029747663	520010105	/nfs/dbraw/zinc/01/01/05/520010105.db2.gz	LFXKAXGKAJHITL-UHFFFAOYSA-N	-1	0	372.509	4.884	50	30		FJEARM
CCCOc1ccc(C=Nn2c(=S)[n-]nc2-c2ccccc2C)cc1	ZINC000005738392	520322424	/nfs/dbraw/zinc/32/24/24/520322424.db2.gz	FTULIENAEWMQDT-DEDYPNTBSA-N	-1	0	352.463	4.587	50	30		FJEARM
O=c1c(N=Nc2ccccc2Cl)c(-c2ccccc2)[n-]n1-c1ccccc1	ZINC000100005945	570497998	/nfs/dbraw/zinc/49/79/98/570497998.db2.gz	DEYDGTRLMDZJFC-HIXSDJFHSA-N	-1	0	374.831	4.559	50	30		FJEARM
CC(C)(C)c1ccc(-c2n[n-]c(=S)n2N=Cc2ccc(F)cc2)cc1	ZINC000012401135	570741927	/nfs/dbraw/zinc/74/19/27/570741927.db2.gz	NOPGTYGHUFTPRW-MTJSOVHGSA-N	-1	0	354.454	4.926	50	30		FJEARM
CCCc1ccc(C=C2C(=O)c3ccccc3C([O-])=C2C(=O)OCC)cc1	ZINC000017781107	570764512	/nfs/dbraw/zinc/76/45/12/570764512.db2.gz	MSZUIUNYYOLBDH-RGEXLXHISA-N	-1	0	362.425	4.751	50	30		FJEARM
O=[N+]([O-])C(=C([O-])c1ccccc1)[C@@H](c1c[nH]c2ccccc21)c1ccccc1	ZINC000004812102	571237866	/nfs/dbraw/zinc/23/78/66/571237866.db2.gz	DIIAGCCUJQJDPE-YADHBBJMSA-N	-1	0	370.408	4.828	50	30		FJEARM
Cc1n[nH]c(C)c1Sc1ccccc1N=Cc1ccc(C(=O)[O-])cc1	ZINC000252625066	571288794	/nfs/dbraw/zinc/28/87/94/571288794.db2.gz	QCDZOLOKCSEYQT-UHFFFAOYSA-N	-1	0	351.431	4.627	50	30		FJEARM
COc1cc([N+](=O)[O-])cc(/C=N/c2ccc3c(c2)oc2ccccc23)c1[O-]	ZINC000000726890	210265902	/nfs/dbraw/zinc/26/59/02/210265902.db2.gz	BVVWEVIPPUZSLE-SRZZPIQSSA-N	-1	0	362.341	4.959	50	30		FJEARM
CC1=C(C)C(=O)C([C@@H](CCCCCC(=O)[O-])c2ccccc2)=C(C)C1=O	ZINC000008437239	210230360	/nfs/dbraw/zinc/23/03/60/210230360.db2.gz	ZBVKEHDGYSLCCC-SFHVURJKSA-N	-1	0	354.446	4.610	50	30	world	FJEARM
COc1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)c(C#N)c(=O)[n-]2)cc1	ZINC000005917325	210084398	/nfs/dbraw/zinc/08/43/98/210084398.db2.gz	KIAIKGBBWWVLJM-UHFFFAOYSA-N	-1	0	358.441	4.887	50	30		FJEARM
S=c1[n-]nc(Cc2c[nH]c3ccccc23)n1N=Cc1ccc(Cl)cc1	ZINC000040391017	210043719	/nfs/dbraw/zinc/04/37/19/210043719.db2.gz	SDMBQKABOHUFCI-UFFVCSGVSA-N	-1	0	367.865	4.548	50	30		FJEARM
S=c1[n-]nc(C2CCCCC2)n1N=Cc1cccc(Br)c1	ZINC000001475367	204009654	/nfs/dbraw/zinc/00/96/54/204009654.db2.gz	LKQFXUSTJXHWFW-LICLKQGHSA-N	-1	0	365.300	4.633	50	30		FJEARM
FC(F)(F)c1ccccc1C=Nn1c(=S)[n-]nc1C1CCCCC1	ZINC000002347971	204035330	/nfs/dbraw/zinc/03/53/30/204035330.db2.gz	COPXCQXDBIJBRS-KEBDBYFISA-N	-1	0	354.401	4.889	50	30		FJEARM
Cc1cccc(-c2n[n-]c(=S)n2N=Cc2cccc(Br)c2)c1	ZINC000006055703	204235730	/nfs/dbraw/zinc/23/57/30/204235730.db2.gz	HBAGGUVKZBRULM-VCHYOVAHSA-N	-1	0	373.279	4.561	50	30		FJEARM
N#Cc1ccc(-c2cccs2)nc1S[C@@H](C(=O)[O-])c1ccccc1	ZINC000006393134	204246726	/nfs/dbraw/zinc/24/67/26/204246726.db2.gz	RRIQKXMTLLMOJH-MRXNPFEDSA-N	-1	0	352.440	4.600	50	30		FJEARM
Cc1ccc(C(CCC(=O)[O-])=NNc2cc(C)c3ccccc3n2)cc1C	ZINC000049597417	206088899	/nfs/dbraw/zinc/08/88/99/206088899.db2.gz	YIYSJZAZUVMYSI-LYBHJNIJSA-N	-1	0	361.445	4.841	50	30		FJEARM
CCCNc1c2ccccc2oc(=O)c1/N=C(\[O-])Nc1ccccc1Cl	ZINC000028048816	211478887	/nfs/dbraw/zinc/47/88/87/211478887.db2.gz	WWFPQOPWYURGBY-UHFFFAOYSA-N	-1	0	371.824	4.926	50	30		FJEARM
O=[N+]([O-])c1cc(Cl)cc(/C=N/c2ccccc2N2CCCCC2)c1[O-]	ZINC000057218393	136128273	/nfs/dbraw/zinc/12/82/73/136128273.db2.gz	CGFNNXBOTIAHER-UDWIEESQSA-N	-1	0	359.813	4.695	50	30		FJEARM
CCCCCCCCCCCCCCCC(=O)N[C@H](CS)C(=O)[O-]	ZINC000102974901	222316679	/nfs/dbraw/zinc/31/66/79/222316679.db2.gz	YYHOQQKJSHXDEN-QGZVFWFLSA-N	-1	0	359.576	4.967	50	30		FJEARM
CCCCCOc1ccc(C=Nn2c(=S)[n-]nc2-c2ccco2)cc1	ZINC000002588911	263145294	/nfs/dbraw/zinc/14/52/94/263145294.db2.gz	UGVKLIWWPNMURO-CPNJWEJPSA-N	-1	0	356.451	4.652	50	30		FJEARM
Cc1ccccc1-c1n[n-]c(=S)n1N=Cc1c(O)ccc2ccccc21	ZINC000005648569	570632550	/nfs/dbraw/zinc/63/25/50/570632550.db2.gz	IMZIIYLSJVAWOM-CIAFOILYSA-N	-1	0	360.442	4.657	50	30		FJEARM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(Oc2ccccc2)cc1	ZINC000016663427	570859968	/nfs/dbraw/zinc/85/99/68/570859968.db2.gz	YYSPKVDKURESEY-FLFQWRMESA-N	-1	0	370.412	4.670	50	30		FJEARM
COc1ccc(/C=N/c2ccc(-c3nc4ccccc4o3)c([O-])c2)cc1OC	ZINC000001021511	571143681	/nfs/dbraw/zinc/14/36/81/571143681.db2.gz	VOAGIFVDMMRUQL-YDZHTSKRSA-N	-1	0	374.396	4.968	50	30		FJEARM
N#CCCSc1ccc(Cl)cc1[N-]C(=O)c1ccc([N+](=O)[O-])s1	ZINC000065453163	571263490	/nfs/dbraw/zinc/26/34/90/571263490.db2.gz	UGGCYSWWLABAEO-UHFFFAOYSA-N	-1	0	367.839	4.568	50	30		FJEARM
COc1ccc2c(c1)N(C)/C(=C/C=C\C=Nc1ccc(C(=O)[O-])cc1)S2	ZINC000253531716	571318737	/nfs/dbraw/zinc/31/87/37/571318737.db2.gz	AGUULNLLHJXMQV-BVDRUWLSSA-N	-1	0	366.442	4.735	50	30		FJEARM
CCCNc1c2ccccc2oc(=O)c1N/C([O-])=N/c1ccc(F)cc1F	ZINC000028048808	571337772	/nfs/dbraw/zinc/33/77/72/571337772.db2.gz	TYNCRGSVWOSVJK-UHFFFAOYSA-N	-1	0	373.359	4.551	50	30		FJEARM
Cc1cccc(-c2n[n-]c(=S)n2N=Cc2c(O)ccc3ccccc32)c1	ZINC000001478869	204009587	/nfs/dbraw/zinc/00/95/87/204009587.db2.gz	UIVSZPSLILRLGV-CIAFOILYSA-N	-1	0	360.442	4.657	50	30		FJEARM
Cc1ccccc1-c1n[n-]c(=S)n1N=Cc1ccc(Br)cc1	ZINC000001475938	204009773	/nfs/dbraw/zinc/00/97/73/204009773.db2.gz	LSNVLBVLTOLELA-VCHYOVAHSA-N	-1	0	373.279	4.561	50	30		FJEARM
O=C([O-])c1cccc(/N=C/c2ccc(-c3sccc3[N+](=O)[O-])s2)c1	ZINC000001816503	204021192	/nfs/dbraw/zinc/02/11/92/204021192.db2.gz	MODXJJWASITRDC-RQZCQDPDSA-N	-1	0	358.400	4.834	50	30		FJEARM
COc1ccc(/N=C/c2c3c(cc([N+](=O)[O-])c2[O-])oc2c3CCCC2)cc1	ZINC000001835516	204021629	/nfs/dbraw/zinc/02/16/29/204021629.db2.gz	LFSUDMZRDLYGSZ-SRZZPIQSSA-N	-1	0	366.373	4.685	50	30		FJEARM
[O-]c1c(Br)cc2oc3c(c2c1/C=N/c1ccccn1)CCCC3	ZINC000002266616	204031488	/nfs/dbraw/zinc/03/14/88/204031488.db2.gz	KRITUNIJFLXUPH-UFFVCSGVSA-N	-1	0	371.234	4.925	50	30		FJEARM
COc1cc2c(cc1/N=C/c1cc([N+](=O)[O-])ccc1[O-])oc1ccccc12	ZINC000002311575	204032889	/nfs/dbraw/zinc/03/28/89/204032889.db2.gz	MYJMWOKZVJRRPV-SRZZPIQSSA-N	-1	0	362.341	4.959	50	30		FJEARM
N#CC(=C([O-])c1cccs1)c1nc2ccc(C(F)(F)F)cc2s1	ZINC000003268662	204085627	/nfs/dbraw/zinc/08/56/27/204085627.db2.gz	ZFVOFZHEUGHLIZ-SECBINFHSA-N	-1	0	352.362	4.867	50	30		FJEARM
N#Cc1c(C=CNc2ccc(C(=O)[O-])cc2)onc1-c1ccccc1Cl	ZINC000002581967	204045396	/nfs/dbraw/zinc/04/53/96/204045396.db2.gz	XGQJEIMAAQBFET-MDZDMXLPSA-N	-1	0	365.776	4.648	50	30		FJEARM
Fc1ccccc1-c1n[n-]c(=S)n1N=Cc1ccc(C(F)(F)F)cc1	ZINC000005450576	204210148	/nfs/dbraw/zinc/21/01/48/204210148.db2.gz	JZVOTCUQGHKQHG-ZVBGSRNCSA-N	-1	0	366.343	4.648	50	30		FJEARM
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccc(C(=O)[O-])cc1	ZINC000005250067	204200169	/nfs/dbraw/zinc/20/01/69/204200169.db2.gz	LHHKWANIKWIUEI-FQEVSTJZSA-N	-1	0	362.429	4.607	50	30		FJEARM
O=C([O-])C(=O)/C(=C/c1ccc2ccccc2c1)c1ccc2ccccc2n1	ZINC000040161451	205061544	/nfs/dbraw/zinc/06/15/44/205061544.db2.gz	KIEFXTBYKXYMFI-XMHGGMMESA-N	-1	0	353.377	4.582	50	30		FJEARM
COc1ccc(-c2nc([N-]c3nc4ccccc4s3)nc(C)c2C#N)cc1	ZINC000009015935	210812945	/nfs/dbraw/zinc/81/29/45/210812945.db2.gz	KPODCECKSVSFGB-UHFFFAOYSA-N	-1	0	373.441	4.686	50	30		FJEARM
CCCCCCCCN(CCCCCCCC)C(=O)COCC(=O)[O-]	ZINC000100932599	222257682	/nfs/dbraw/zinc/25/76/82/222257682.db2.gz	KOHUSHSNNOEPFN-UHFFFAOYSA-N	-1	0	357.535	4.637	50	30		FJEARM
CCCCC[C@H](O)/C=C/[C@@H]1CCC(=NO)[C@H]1CCCCCCC(=O)[O-]	ZINC000252695167	520312337	/nfs/dbraw/zinc/31/23/37/520312337.db2.gz	VVNPPIUUPJFWII-PPDRZPBZSA-N	-1	0	353.503	4.765	50	30		FJEARM
Cc1ccccc1C=Nn1c(=S)[n-]nc1-c1cccc(OC(C)C)c1	ZINC000006071004	525041681	/nfs/dbraw/zinc/04/16/81/525041681.db2.gz	CJLIZSCJTKTPRK-UDWIEESQSA-N	-1	0	352.463	4.586	50	30		FJEARM
CC(=Nc1ccc(Cl)cc1)c1c(C)[n-]n(-c2ccc([N+](=O)[O-])cc2)c1=O	ZINC000095483376	570461907	/nfs/dbraw/zinc/46/19/07/570461907.db2.gz	MWTFILHUWFGMKK-RGVLZGJSSA-N	-1	0	370.796	4.589	50	30		FJEARM
Cc1ccc(C=Nn2c(=S)[n-]nc2-c2ccccc2Br)cc1	ZINC000006814254	570654926	/nfs/dbraw/zinc/65/49/26/570654926.db2.gz	UICAMOKRPDLIBK-VCHYOVAHSA-N	-1	0	373.279	4.561	50	30		FJEARM
Cc1ccc2nc(-c3ccc(/N=C/c4ccc5c(c4)OCO5)cc3[O-])oc2c1	ZINC000017822975	570873622	/nfs/dbraw/zinc/87/36/22/570873622.db2.gz	SXIASZKNAHIKKD-FOKLQQMPSA-N	-1	0	372.380	4.988	50	30		FJEARM
O=C1ON=C(c2ccc(Cl)cc2)/C1=C\c1cc(Cl)cc(Cl)c1[O-]	ZINC000108464986	570906783	/nfs/dbraw/zinc/90/67/83/570906783.db2.gz	UNFYZUVMWHPMJM-WUXMJOGZSA-N	-1	0	368.603	4.697	50	30		FJEARM
N#Cc1c(SCC(=O)[O-])nc(-c2cccs2)cc1-c1ccc(F)cc1	ZINC000001282703	571046382	/nfs/dbraw/zinc/04/63/82/571046382.db2.gz	LQCVNFADRMEHDE-UHFFFAOYSA-N	-1	0	370.430	4.665	50	30		FJEARM
Cc1ccc(C)n1-c1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)cc1	ZINC000041542277	571112732	/nfs/dbraw/zinc/11/27/32/571112732.db2.gz	BJVOGACYHQPOJF-GOSISDBHSA-N	-1	0	355.397	4.725	50	30		FJEARM
N#Cc1cc(/C=C/c2cc(Cl)cc(Cl)c2[O-])c([N+](=O)[O-])cc1C#N	ZINC000078547602	571141466	/nfs/dbraw/zinc/14/14/66/571141466.db2.gz	KKAXDNITUTYOPZ-OWOJBTEDSA-N	-1	0	360.156	4.521	50	30		FJEARM
CSc1ccc(C=Nn2c(=S)[n-]nc2-c2cccc(Cl)c2)cc1	ZINC000002520992	571279767	/nfs/dbraw/zinc/27/97/67/571279767.db2.gz	RUYIHCOHMBBVNT-VCHYOVAHSA-N	-1	0	360.895	4.865	50	30		FJEARM
Cc1ccc(N=C2S/C(=C\c3cc(Cl)ccc3O)C(=O)N2C)cc1C	ZINC000252622825	571288393	/nfs/dbraw/zinc/28/83/93/571288393.db2.gz	ODPNKCCOBLSBQF-RSLFAZBZSA-N	-1	0	372.877	4.896	50	30		FJEARM
CC(=NNc1ccccc1)c1cc2c3c(c(=O)oc2c(C)c1[O-])CCCC3	ZINC000096343752	571335456	/nfs/dbraw/zinc/33/54/56/571335456.db2.gz	CBAXEVPVOAAXQH-UCQKPKSFSA-N	-1	0	362.429	4.522	50	30		FJEARM
C=CCOc1ccc(/C=C/c2cc(C(=O)[O-])c3ccccc3n2)cc1OC	ZINC000006640713	210108323	/nfs/dbraw/zinc/10/83/23/210108323.db2.gz	FYNQHNNYJFMOKG-CSKARUKUSA-N	-1	0	361.397	4.677	50	30		FJEARM
COc1ccc(-c2cc(-c3ccc4ccccc4c3)[n-]c(=O)c2C#N)cc1	ZINC000006304173	210088831	/nfs/dbraw/zinc/08/88/31/210088831.db2.gz	RNXUHXUPIKEAAK-UHFFFAOYSA-N	-1	0	352.393	4.742	50	30		FJEARM
C=CCOc1ccc(/C=C(/CC(=O)[O-])c2nc3ccccc3s2)cc1	ZINC000028911630	203869879	/nfs/dbraw/zinc/86/98/79/203869879.db2.gz	NYYKONMQTGRCLT-QINSGFPZSA-N	-1	0	351.427	4.876	50	30		FJEARM
COc1ccc(/N=C/c2cc(Br)cc(Cl)c2[O-])cc1OC	ZINC000001435435	204006786	/nfs/dbraw/zinc/00/67/86/204006786.db2.gz	YRSAJRYFCGXBQU-QGMBQPNBSA-N	-1	0	370.630	4.576	50	30		FJEARM
S=c1[n-]nc(C2CCCCC2)n1N=Cc1ccc(Br)cc1	ZINC000001475374	204008963	/nfs/dbraw/zinc/00/89/63/204008963.db2.gz	QOZCMFXWKNOFGW-LICLKQGHSA-N	-1	0	365.300	4.633	50	30		FJEARM
CCN(CC)c1ccc(C=Nn2c(=S)[n-]nc2-c2ccc(C)cc2)cc1	ZINC000002340387	204034551	/nfs/dbraw/zinc/03/45/51/204034551.db2.gz	OUWFETMFQLWZEO-KGENOOAVSA-N	-1	0	365.506	4.645	50	30		FJEARM
CC[C@H](C)c1ccc(-c2c(C)sc(NC(=O)/C=C/C(=O)[O-])c2C#N)cc1	ZINC000002773541	204055939	/nfs/dbraw/zinc/05/59/39/204055939.db2.gz	RWEGWIMSGRLMHG-VMPCVLLUSA-N	-1	0	368.458	4.688	50	30		FJEARM
Cc1ccc(C(=NNc2ccc(F)cc2F)c2ccccc2C(=O)[O-])cc1	ZINC000004587136	204149666	/nfs/dbraw/zinc/14/96/66/204149666.db2.gz	TZGSGHYYXBBKGZ-LKUDQCMESA-N	-1	0	366.367	4.836	50	30		FJEARM
Fc1ccccc1-c1n[n-]c(=S)n1N=Cc1c(Cl)cccc1Cl	ZINC000006102777	204236967	/nfs/dbraw/zinc/23/69/67/204236967.db2.gz	GECQDHCSXFDXNM-UFWORHAWSA-N	-1	0	367.236	4.936	50	30		FJEARM
S=c1[n-]nc(N=Cc2ccc(Br)cc2)n1Cc1ccccc1	ZINC000006344367	204245706	/nfs/dbraw/zinc/24/57/06/204245706.db2.gz	HFHLAEJONPZUFY-VCHYOVAHSA-N	-1	0	373.279	4.502	50	30		FJEARM
Cc1cccc(C=Nn2c(=S)[n-]nc2-c2ccccc2Br)c1	ZINC000006815701	204273674	/nfs/dbraw/zinc/27/36/74/204273674.db2.gz	SDAIMWRKBMFIQK-VCHYOVAHSA-N	-1	0	373.279	4.561	50	30		FJEARM
Cc1ccccc1C=Nn1c(=S)[n-]nc1-c1ccccc1Br	ZINC000008321098	204326555	/nfs/dbraw/zinc/32/65/55/204326555.db2.gz	MTOYMGFDONJQDO-VCHYOVAHSA-N	-1	0	373.279	4.561	50	30		FJEARM
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CO)C(=O)[O-]	ZINC000064857739	205306922	/nfs/dbraw/zinc/30/69/22/205306922.db2.gz	MBDKGXAMSZIDKF-VJIACCKLSA-N	-1	0	369.546	4.586	50	30	in-vitro	FJEARM
Cc1cccc(-c2cc(-c3cccc(C(F)(F)F)c3)c(C#N)c(=O)[n-]2)c1	ZINC000013920429	211063794	/nfs/dbraw/zinc/06/37/94/211063794.db2.gz	ARSXUOFTZKQQBI-UHFFFAOYSA-N	-1	0	354.331	4.908	50	30		FJEARM
Cc1cccc(-c2n[n-]c(=S)n2N=Cc2ccccc2Br)c1	ZINC000006055709	210655344	/nfs/dbraw/zinc/65/53/44/210655344.db2.gz	YCSAQGSRHBTCFZ-VCHYOVAHSA-N	-1	0	373.279	4.561	50	30		FJEARM
Cc1nc([N-]c2nc3ccccc3o2)nc(-c2ccc(Cl)cc2)c1C#N	ZINC000001255627	210339821	/nfs/dbraw/zinc/33/98/21/210339821.db2.gz	CRNGMLGBTATPFF-UHFFFAOYSA-N	-1	0	361.792	4.862	50	30		FJEARM
O=[N+]([O-])c1cc(/C=N/[O-])ccc1SCc1cccc(C(F)(F)F)c1	ZINC000100324563	222241511	/nfs/dbraw/zinc/24/15/11/222241511.db2.gz	GHWFOLLFVSELTG-UFWORHAWSA-N	-1	0	356.325	4.714	50	30		FJEARM
COc1cccc(-c2n[n-]c(=S)n2N=Cc2ccc(C(C)C)cc2)c1	ZINC000005836357	263343765	/nfs/dbraw/zinc/34/37/65/263343765.db2.gz	YZRMITMJRLCFIA-UDWIEESQSA-N	-1	0	352.463	4.622	50	30		FJEARM
C[C@@H](Oc1ccc(C(=O)/C=C\c2ccc(Cl)cc2Cl)cc1)C(=O)[O-]	ZINC000033502604	525922807	/nfs/dbraw/zinc/92/28/07/525922807.db2.gz	DPWJOTSLCGSWAB-YOOZJCNJSA-N	-1	0	365.212	4.741	50	30		FJEARM
Cc1ccc(C(=O)C=C(O)C(=O)C=C([O-])c2ccc(C)cc2C)c(C)c1	ZINC000005892307	526013720	/nfs/dbraw/zinc/01/37/20/526013720.db2.gz	YQLOEWPYJGYQAM-IINORCHSSA-N	-1	0	350.414	4.870	50	30		FJEARM
O=C(/C=C/c1ccc([O-])c([N+](=O)[O-])c1)c1ccc(N2CCCCCC2)cc1	ZINC000032639088	527615908	/nfs/dbraw/zinc/61/59/08/527615908.db2.gz	PKMCQLQGGZIGMU-VZUCSPMQSA-N	-1	0	366.417	4.577	50	30		FJEARM
Cc1ccc(-c2nc(SCc3ccccc3Cl)[n-]c(=O)c2C#N)cc1	ZINC000005238277	570638681	/nfs/dbraw/zinc/63/86/81/570638681.db2.gz	VVJCRDJWARFZNY-UHFFFAOYSA-N	-1	0	367.861	4.563	50	30		FJEARM
N#Cc1c2c(sc1N=Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])CCCC2	ZINC000245285875	571096713	/nfs/dbraw/zinc/09/67/13/571096713.db2.gz	ZDXRGMNPYDBGBP-UHFFFAOYSA-N	-1	0	361.810	4.516	50	30		FJEARM
COc1ccccc1/N=C/c1c2c(cc([N+](=O)[O-])c1[O-])oc1c2CCCC1	ZINC000002280166	571294791	/nfs/dbraw/zinc/29/47/91/571294791.db2.gz	JNNLJHLCQCBRSN-SRZZPIQSSA-N	-1	0	366.373	4.685	50	30		FJEARM
N#CCOc1ccccc1/C=C(/CCC(=O)[O-])c1nc2ccccc2s1	ZINC000033581448	210245323	/nfs/dbraw/zinc/24/53/23/210245323.db2.gz	KPFAKEKZRZJARP-SQFISAMPSA-N	-1	0	364.426	4.604	50	30		FJEARM
COc1cccc(/C=N/c2ccc(-c3nc4ccc(C)cc4o3)c([O-])c2)c1O	ZINC000003184418	204080583	/nfs/dbraw/zinc/08/05/83/204080583.db2.gz	ZNIQSVHTTQDUOQ-FSJBWODESA-N	-1	0	374.396	4.974	50	30		FJEARM
[O-]c1c(Cl)cc(Cl)cc1CN=Nc1c(F)c(F)c(F)c(F)c1F	ZINC000004836780	204167585	/nfs/dbraw/zinc/16/75/85/204167585.db2.gz	QQPVGLGJEJOYIY-WSVFEZOKSA-N	-1	0	371.092	4.841	50	30		FJEARM
COc1ccc(/C=C/C(=O)c2cc(Br)cc(Cl)c2[O-])cc1	ZINC000004252497	204130378	/nfs/dbraw/zinc/13/03/78/204130378.db2.gz	DRXUUBIDJLLVEG-QPJJXVBHSA-N	-1	0	367.626	4.713	50	30		FJEARM
Cc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccccc2C(F)(F)F)cc1	ZINC000013178535	204524916	/nfs/dbraw/zinc/52/49/16/204524916.db2.gz	FAEYBJKHXOSSSH-HNNXBMFYSA-N	-1	0	351.324	4.534	50	30		FJEARM
O=C([O-])C(=O)/C(=C/c1ccc(Cl)c(Cl)c1)c1ccc2ccccc2n1	ZINC000033645764	204972065	/nfs/dbraw/zinc/97/20/65/204972065.db2.gz	XNZXQBQYVWKNNE-UKTHLTGXSA-N	-1	0	372.207	4.736	50	30		FJEARM
Cc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccccc2C(F)(F)F)cc1	ZINC000013178532	211026440	/nfs/dbraw/zinc/02/64/40/211026440.db2.gz	FAEYBJKHXOSSSH-OAHLLOKOSA-N	-1	0	351.324	4.534	50	30		FJEARM
O=C([O-])C(=O)/C(=C\c1cccc2ccccc12)c1ccc2ccccc2n1	ZINC000006829880	210708282	/nfs/dbraw/zinc/70/82/82/210708282.db2.gz	GIQGCIWBMMAIEN-RGEXLXHISA-N	-1	0	353.377	4.582	50	30	aggregator	FJEARM
O=c1c(N=Nc2ccccc2Cl)c(-c2ccccc2)[n-]n1-c1ccccc1	ZINC000004578362	210542950	/nfs/dbraw/zinc/54/29/50/210542950.db2.gz	DEYDGTRLMDZJFC-GFMRDNFCSA-N	-1	0	374.831	4.559	50	30		FJEARM
Cc1c(Cl)c(C)c(/C=N/c2ccccc2O)c([O-])c1Br	ZINC000001435313	210352746	/nfs/dbraw/zinc/35/27/46/210352746.db2.gz	SOVAJKHHJUSHFE-CNHKJKLMSA-N	-1	0	354.631	4.881	50	30		FJEARM
O=[N+]([O-])c1ccc([O-])c(/C=N/c2ccc(-c3nc4ccccc4[nH]3)cc2)c1	ZINC000000826440	210277809	/nfs/dbraw/zinc/27/78/09/210277809.db2.gz	CBZDMVMYUYGIJA-CIAFOILYSA-N	-1	0	358.357	4.594	50	30		FJEARM
CCCOc1ccc(C=Nn2c(=S)[n-]nc2-c2ccc(C)cc2)cc1	ZINC000004910076	520323919	/nfs/dbraw/zinc/32/39/19/520323919.db2.gz	VDSBAWPVVAVEPD-DEDYPNTBSA-N	-1	0	352.463	4.587	50	30		FJEARM
[O-]/N=C(/c1cc(-c2ncc(C(F)(F)F)cc2Cl)no1)c1ccccc1	ZINC000005771993	568256000	/nfs/dbraw/zinc/25/60/00/568256000.db2.gz	XQQGOFINGXASRT-HYARGMPZSA-N	-1	0	367.714	4.635	50	30		FJEARM
COc1ccc2ccccc2c1C=Nn1c(=S)[n-]nc1-c1ccccc1	ZINC000000725316	570453675	/nfs/dbraw/zinc/45/36/75/570453675.db2.gz	WHIHWVAKTRTELU-FYJGNVAPSA-N	-1	0	360.442	4.652	50	30		FJEARM
Cc1n[nH]c(C)c1Sc1ccccc1/N=C/c1ccc(C(=O)[O-])cc1	ZINC000000793676	570456671	/nfs/dbraw/zinc/45/66/71/570456671.db2.gz	QCDZOLOKCSEYQT-RGVLZGJSSA-N	-1	0	351.431	4.627	50	30		FJEARM
Cc1cc(=O)oc2c(/C=N/c3ccc(Cl)c4cccnc34)c([O-])ccc12	ZINC000100922243	570508994	/nfs/dbraw/zinc/50/89/94/570508994.db2.gz	UWNGUPHNEWMLOZ-AUEPDCJTSA-N	-1	0	364.788	4.759	50	30		FJEARM
O=C1N/C(=N/c2ccccc2)S/C1=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000005007473	570574520	/nfs/dbraw/zinc/57/45/20/570574520.db2.gz	PHOOBMVLDHLFEV-NTUHNPAUSA-N	-1	0	365.241	4.591	50	30		FJEARM
Cc1n[nH]c(C)c1Sc1ccccc1/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000004990089	570616589	/nfs/dbraw/zinc/61/65/89/570616589.db2.gz	BUDLTFFZYHJCEB-VXLYETTFSA-N	-1	0	368.418	4.542	50	30		FJEARM
Cc1cccc2c1nc1[n-]c(NN=Cc3ccc(Cl)cc3Cl)nnc2-1	ZINC000008321081	570679840	/nfs/dbraw/zinc/67/98/40/570679840.db2.gz	ODPNSWHLQATQER-DNTJNYDQSA-N	-1	0	371.231	4.567	50	30		FJEARM
O=[N+]([O-])c1ccc([O-])c(/C=N/c2ccc3oc(Cc4ccccc4)nc3c2)c1	ZINC000000859605	571094240	/nfs/dbraw/zinc/09/42/40/571094240.db2.gz	DPDHCMQXDNFQIY-LPYMAVHISA-N	-1	0	373.368	4.783	50	30		FJEARM
Cc1ccccc1/N=C/c1c2c(cc([N+](=O)[O-])c1[O-])oc1c2CCCC1	ZINC000004808045	571237479	/nfs/dbraw/zinc/23/74/79/571237479.db2.gz	YKINWHNTWGFEEC-SRZZPIQSSA-N	-1	0	350.374	4.984	50	30		FJEARM
CCNc1c2ccccc2oc(=O)c1/N=C(\[O-])Nc1cccc(Cl)c1	ZINC000028048745	571337745	/nfs/dbraw/zinc/33/77/45/571337745.db2.gz	GXZFOTQUMUCMOE-UHFFFAOYSA-N	-1	0	357.797	4.536	50	30		FJEARM
Cc1c2cc(Cl)ccc2sc1S(=O)(=O)[N-]c1ccc(C#N)cc1	ZINC000001040614	203974867	/nfs/dbraw/zinc/97/48/67/203974867.db2.gz	ACIIVRWCPVRDFJ-UHFFFAOYSA-N	-1	0	362.863	4.536	50	30		FJEARM
CCOc1ccc(-c2n[n-]c(=S)n2N=Cc2ccc(Cl)cc2)cc1	ZINC000005900431	204229141	/nfs/dbraw/zinc/22/91/41/204229141.db2.gz	LQJIHZCKGBAATM-YBFXNURJSA-N	-1	0	358.854	4.542	50	30		FJEARM
Fc1cccc(Cl)c1C=Nn1c(=S)[n-]nc1-c1cccc(Cl)c1	ZINC000006191595	204240805	/nfs/dbraw/zinc/24/08/05/204240805.db2.gz	XUZKVPVWXXXCKP-UFWORHAWSA-N	-1	0	367.236	4.936	50	30		FJEARM
COc1ccc(-c2n[n-]c(=S)n2N=Cc2cccc3ccccc23)cc1	ZINC000001478104	210356023	/nfs/dbraw/zinc/35/60/23/210356023.db2.gz	YPVOADOMHXQGSW-FYJGNVAPSA-N	-1	0	360.442	4.652	50	30		FJEARM
Cc1cccc(/N=C/c2cc(Br)cc(Br)c2[O-])c1	ZINC000001107504	210318088	/nfs/dbraw/zinc/31/80/88/210318088.db2.gz	VCNLKLFWQMFXRL-CAOOACKPSA-N	-1	0	369.056	4.976	50	30		FJEARM
COc1cc(/N=C/c2cc(Cl)ccc2O)ccc1NC(=O)c1ccco1	ZINC000102417355	222297299	/nfs/dbraw/zinc/29/72/99/222297299.db2.gz	WNQKZWHDUUJLAG-SRZZPIQSSA-N	-1	0	370.792	4.650	50	30		FJEARM
CCCCCCCCCCCCCCCC(=O)C1=C([O-])[C@@H](CO)OC1=O	ZINC000100031544	519987563	/nfs/dbraw/zinc/98/75/63/519987563.db2.gz	KZTSLHQKWLYYAC-GOSISDBHSA-N	-1	0	368.514	4.767	50	30	in-vitro	FJEARM
C[C@H](Oc1ccc(C(=O)/C=C\c2ccc(Cl)cc2Cl)cc1)C(=O)[O-]	ZINC000033502606	525929746	/nfs/dbraw/zinc/92/97/46/525929746.db2.gz	DPWJOTSLCGSWAB-GWZUUTHWSA-N	-1	0	365.212	4.741	50	30		FJEARM
Cc1cc(/C=N/c2ccc(C(=O)[O-])cc2)c(C)n1-c1ccc(N(C)C)cc1	ZINC000001095214	570480150	/nfs/dbraw/zinc/48/01/50/570480150.db2.gz	WZTIVUCSRYHWEE-OEAKJJBVSA-N	-1	0	361.445	4.609	50	30		FJEARM
O=c1c(N=Nc2ccc(Cl)cc2)c(-c2ccccc2)[n-]n1-c1ccccc1	ZINC000100005903	570498180	/nfs/dbraw/zinc/49/81/80/570498180.db2.gz	KFFJCIRMIIRNNU-HIXSDJFHSA-N	-1	0	374.831	4.559	50	30		FJEARM
[O-]c1c(Br)cc(Br)cc1/C=N/c1ccccc1	ZINC000100454486	570504265	/nfs/dbraw/zinc/50/42/65/570504265.db2.gz	HAKKDXNLZPTCTK-LZYBPNLTSA-N	-1	0	355.029	4.668	50	30		FJEARM
CC(C)CCOc1ccc(C(=O)/C=C/c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000034864635	570561215	/nfs/dbraw/zinc/56/12/15/570561215.db2.gz	GPJSDQOIZAXDCF-YCRREMRBSA-N	-1	0	355.390	4.621	50	30		FJEARM
COc1cc([N+](=O)[O-])cc(C=Nc2ccc3c(c2)oc2ccccc23)c1[O-]	ZINC000252594859	571284375	/nfs/dbraw/zinc/28/43/75/571284375.db2.gz	BVVWEVIPPUZSLE-UHFFFAOYSA-N	-1	0	362.341	4.959	50	30		FJEARM
O=c1c2cccc3cccc(c(=O)c1=S([O-])c1ccc(Cl)cc1)c32	ZINC000000707774	210263934	/nfs/dbraw/zinc/26/39/34/210263934.db2.gz	GPNGWOBKONOKJA-XMMPIXPASA-N	-1	0	354.814	4.724	50	30		FJEARM
C=CCOc1ccc(/C=C\c2cc(C(=O)[O-])c3ccccc3n2)cc1OC	ZINC000096791963	210240181	/nfs/dbraw/zinc/24/01/81/210240181.db2.gz	FYNQHNNYJFMOKG-NTMALXAHSA-N	-1	0	361.397	4.677	50	30		FJEARM
C=CCCCCCCCCC(=O)Nc1c(C)[n-]n(-c2ccccc2)c1=O	ZINC000002057732	210150346	/nfs/dbraw/zinc/15/03/46/210150346.db2.gz	BXYDAACUJNGSKM-UHFFFAOYSA-N	-1	0	355.482	4.719	50	30		FJEARM
O=[N+]([O-])c1ccc([O-])c(C=Nc2ccc3[nH]c(-c4ccccc4)nc3c2)c1	ZINC000002489796	204041466	/nfs/dbraw/zinc/04/14/66/204041466.db2.gz	QXYCWPYEUCWASO-CIAFOILYSA-N	-1	0	358.357	4.594	50	30		FJEARM
CN(/N=C/c1cc(Cl)cc(Cl)c1[O-])c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000004322928	204133028	/nfs/dbraw/zinc/13/30/28/204133028.db2.gz	AITPOZCJGSLQHQ-CNHKJKLMSA-N	-1	0	374.611	4.731	50	30		FJEARM
Cc1cccc(-c2n[n-]c(=S)n2N=Cc2ccc(C(F)(F)F)cc2)c1	ZINC000006174188	204239894	/nfs/dbraw/zinc/23/98/94/204239894.db2.gz	DSHKCYIUIALSKN-UFFVCSGVSA-N	-1	0	362.380	4.817	50	30		FJEARM
O=C([O-])Cc1ccc(NC(=S)Nc2cccc(Cl)c2Cl)cc1	ZINC000008684889	204339214	/nfs/dbraw/zinc/33/92/14/204339214.db2.gz	ZWJYLEBATBNGGR-UHFFFAOYSA-N	-1	0	355.246	4.650	50	30		FJEARM
CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3cc(C)on3)sc2C1	ZINC000013327378	220063261	/nfs/dbraw/zinc/06/32/61/220063261.db2.gz	PLJXLHLVMWFIEZ-GFCCVEGCSA-N	-1	0	357.479	4.710	50	30		FJEARM
O=C(C(C=Nc1ccccc1Cl)=C([O-])c1cccs1)C(F)(F)F	ZINC000100293952	206222602	/nfs/dbraw/zinc/22/26/02/206222602.db2.gz	DCDKKYFUSOZTJM-HJWRWDBZSA-N	-1	0	359.756	4.712	50	30		FJEARM
COc1ccc(C=Nn2c(=S)[n-]nc2-c2ccc(C(C)(C)C)cc2)cc1	ZINC000002354669	210392838	/nfs/dbraw/zinc/39/28/38/210392838.db2.gz	WASXKKCDZRXBRF-FYJGNVAPSA-N	-1	0	366.490	4.796	50	30		FJEARM
CCCCCn1c2ccccc2nc1/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000002270015	210387917	/nfs/dbraw/zinc/38/79/17/210387917.db2.gz	QSKBFFNQRSOGFD-DEDYPNTBSA-N	-1	0	352.394	4.591	50	30		FJEARM
N#Cc1c(/N=C/c2ccc([O-])c(Br)c2)sc2c1CCCC2	ZINC000001090976	210317123	/nfs/dbraw/zinc/31/71/23/210317123.db2.gz	PEEZNKXUTKVEQX-DJKKODMXSA-N	-1	0	361.264	4.717	50	30		FJEARM
CCOC(=O)c1cc(C)ccc1/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000001026744	210303798	/nfs/dbraw/zinc/30/37/98/210303798.db2.gz	HGCNGDNICZLWKT-AWQFTUOYSA-N	-1	0	352.217	4.935	50	30		FJEARM
CC1(C)CC(=O)C2=C(C1)N(c1cccc(O)c1)C1=C(C2)C(=O)CC(C)(C)C1	ZINC000002271700	132382895	/nfs/dbraw/zinc/38/28/95/132382895.db2.gz	SORQJVXVJYVHSM-UHFFFAOYSA-N	-1	0	365.473	4.889	50	30		FJEARM
C=C1C(=O)C(C)=C(C)C(=O)C1c1cccc(CCCCCCC(=O)[O-])c1	ZINC000100084544	222234011	/nfs/dbraw/zinc/23/40/11/222234011.db2.gz	QABFLCMWFHMKLZ-UHFFFAOYSA-N	-1	0	354.446	4.526	50	30		FJEARM
COc1ccccc1-c1n[n-]c(=S)n1N=CC(C)=Cc1ccccc1	ZINC000005789132	524278415	/nfs/dbraw/zinc/27/84/15/524278415.db2.gz	RMPSFSMFNGYXJK-OCRAYANJSA-N	-1	0	350.447	4.554	50	30		FJEARM
Cc1ccc(-c2n[n-]c(=S)n2N=Cc2ccccc2C(F)(F)F)cc1	ZINC000006199517	570643205	/nfs/dbraw/zinc/64/32/05/570643205.db2.gz	CWAFVBUBJVELKE-UFFVCSGVSA-N	-1	0	362.380	4.817	50	30		FJEARM
CC(C)(C)c1ccc(C=Nn2c(=S)[n-]nc2-c2ccccc2F)cc1	ZINC000005669390	571214339	/nfs/dbraw/zinc/21/43/39/571214339.db2.gz	NSQTUDMCGPPPIZ-CIAFOILYSA-N	-1	0	354.454	4.926	50	30		FJEARM
COc1ccccc1-c1n[n-]c(=S)n1N=Cc1ccc(C(C)C)cc1	ZINC000005822283	571214447	/nfs/dbraw/zinc/21/44/47/571214447.db2.gz	PEJPPOATOHQNIZ-UDWIEESQSA-N	-1	0	352.463	4.622	50	30		FJEARM
Cc1cc(=O)oc2c(C=Nc3ccc(Cl)c4cccnc34)c([O-])ccc12	ZINC000252630170	571289542	/nfs/dbraw/zinc/28/95/42/571289542.db2.gz	UWNGUPHNEWMLOZ-UHFFFAOYSA-N	-1	0	364.788	4.759	50	30		FJEARM
O=c1[nH]c2ccccc2c([O-])c1C=Nc1ccc2c(c1)oc1ccccc12	ZINC000226760359	209368186	/nfs/dbraw/zinc/36/81/86/209368186.db2.gz	KCOZSUZVGOHXSW-ATVHPVEESA-N	-1	0	354.365	4.717	50	30		FJEARM
Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2)c1	ZINC000102801046	209242712	/nfs/dbraw/zinc/24/27/12/209242712.db2.gz	MIDXAABMLBTHKZ-MRJHHRETSA-N	-1	0	369.420	4.621	50	30		FJEARM
Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccccc2)c1	ZINC000102801045	209242393	/nfs/dbraw/zinc/24/23/93/209242393.db2.gz	MIDXAABMLBTHKZ-JBCNATCCSA-N	-1	0	369.420	4.621	50	30		FJEARM
Cc1ccc(/N=C/c2cc(Br)cc(Br)c2[O-])cc1	ZINC000100138492	209210649	/nfs/dbraw/zinc/21/06/49/209210649.db2.gz	IHLYAYJRWBVLTM-CAOOACKPSA-N	-1	0	369.056	4.976	50	30		FJEARM
O=c1c(N=Nc2ccc(Cl)cc2)c(-c2ccccc2)[n-]n1-c1ccccc1	ZINC000004578364	207029669	/nfs/dbraw/zinc/02/96/69/207029669.db2.gz	KFFJCIRMIIRNNU-GFMRDNFCSA-N	-1	0	374.831	4.559	50	30		FJEARM
CN(C)c1ccc(-c2n[n-]c(=S)n2N=Cc2cccc3ccccc23)cc1	ZINC000006027079	207126297	/nfs/dbraw/zinc/12/62/97/207126297.db2.gz	ACKPWIRLDQJNGW-HYARGMPZSA-N	-1	0	373.485	4.709	50	30		FJEARM
COc1ccc(OC)c(/C=C/C(=O)c2cc(Cl)c([O-])c(Cl)c2)c1	ZINC000048057036	220998495	/nfs/dbraw/zinc/99/84/95/220998495.db2.gz	CPJDLAYYPYAIAX-HWKANZROSA-N	-1	0	353.201	4.612	50	30		FJEARM
O=C(C(C=Nc1ccc(Cl)cc1)=C([O-])c1cccs1)C(F)(F)F	ZINC000105733936	222375063	/nfs/dbraw/zinc/37/50/63/222375063.db2.gz	CKRUSDSSGDXMER-DHZHZOJOSA-N	-1	0	359.756	4.712	50	30		FJEARM
Cc1c(C=Cc2cccc(Oc3ccc(Cl)cc3)c2)n[n-]c(=O)c1C#N	ZINC000007123585	263349049	/nfs/dbraw/zinc/34/90/49/263349049.db2.gz	LOKMKRIJLVFQLM-BJMVGYQFSA-N	-1	0	363.804	4.566	50	30		FJEARM
C=C[C@]1(C)CC2=CC[C@@H]3[C@](C)(C(=O)[O-])CCC[C@]3(C)[C@@H]2C[C@H]1OC(C)=O	ZINC000253388414	519305010	/nfs/dbraw/zinc/30/50/10/519305010.db2.gz	TUKYTUMQZQFKNX-RSBIIAMVSA-N	-1	0	360.494	4.748	50	30	biogenic,in-vitro	FJEARM
Cc1ccc(N=NC(C(=O)c2ccccc2)=C([O-])c2ccccc2)cc1C	ZINC000004550962	525293842	/nfs/dbraw/zinc/29/38/42/525293842.db2.gz	AHLRWHSVZOCGNV-UHFFFAOYSA-N	-1	0	356.425	4.837	50	30		FJEARM
Cc1ccc(C=Nn2c(=S)[n-]nc2-c2cccc(OC(C)C)c2)cc1	ZINC000006199260	525966869	/nfs/dbraw/zinc/96/68/69/525966869.db2.gz	VMFOWWZIAXXHGO-UDWIEESQSA-N	-1	0	352.463	4.586	50	30		FJEARM
CCN(CC)c1ccc(C=Nn2c(=S)[n-]nc2C2CCCCC2)cc1	ZINC000002339808	570519305	/nfs/dbraw/zinc/51/93/05/570519305.db2.gz	QNKQUFCBTREIGL-XSFVSMFZSA-N	-1	0	357.527	4.717	50	30		FJEARM
N#C[C@@H](c1ccccc1O)N1N=C(c2ccccc2)C[C@H]1c1ccccc1	ZINC000003902322	570570915	/nfs/dbraw/zinc/57/09/15/570570915.db2.gz	YGDITCBMINIEBS-VXKWHMMOSA-N	-1	0	353.425	4.808	50	30		FJEARM
CCc1ccc(O)c(/N=C/c2cc(Cl)cc(Br)c2[O-])c1	ZINC000005247967	570638993	/nfs/dbraw/zinc/63/89/93/570638993.db2.gz	ARNKLAXHLRZQNQ-QGMBQPNBSA-N	-1	0	354.631	4.827	50	30		FJEARM
Cc1ccc(/N=C/c2cc(Br)cc([N+](=O)[O-])c2[O-])cc1Cl	ZINC000006215923	570643619	/nfs/dbraw/zinc/64/36/19/570643619.db2.gz	LHHRHHWPAPTLME-REZTVBANSA-N	-1	0	369.602	4.775	50	30		FJEARM
N#CC(=C([O-])C1=Cc2ccccc2OC1)c1nc2cc(Cl)ccc2s1	ZINC000084579344	571090366	/nfs/dbraw/zinc/09/03/66/571090366.db2.gz	ZJQMMMMKIOOADU-AWEZNQCLSA-N	-1	0	366.829	4.602	50	30		FJEARM
N#CC(=C([O-])C1=Cc2ccccc2OC1)c1nc2cc(Cl)ccc2s1	ZINC000084579342	571090382	/nfs/dbraw/zinc/09/03/82/571090382.db2.gz	ZJQMMMMKIOOADU-CQSZACIVSA-N	-1	0	366.829	4.602	50	30		FJEARM
N#Cc1ccc(-c2cccs2)nc1S[C@H](C(=O)[O-])c1ccccc1	ZINC000006393109	571183455	/nfs/dbraw/zinc/18/34/55/571183455.db2.gz	RRIQKXMTLLMOJH-INIZCTEOSA-N	-1	0	352.440	4.600	50	30		FJEARM
COC(=O)c1c(/N=C/c2cc(Cl)cc(Cl)c2[O-])sc2c1CCC2	ZINC000004739348	571229699	/nfs/dbraw/zinc/22/96/99/571229699.db2.gz	IABGKWZHCDZRNJ-FBCYGCLPSA-N	-1	0	370.257	4.786	50	30		FJEARM
COc1cc(Br)cc(C=Nc2ccc(Cl)cc2C)c1O	ZINC000252618639	571286540	/nfs/dbraw/zinc/28/65/40/571286540.db2.gz	LJBSUCYNKHXDEM-UHFFFAOYSA-N	-1	0	354.631	4.876	50	30		FJEARM
Cc1ccc(N=C2S/C(=C/c3cc(Cl)ccc3O)C(=O)N2C)cc1C	ZINC000252622824	571288403	/nfs/dbraw/zinc/28/84/03/571288403.db2.gz	ODPNKCCOBLSBQF-CZXUSHBOSA-N	-1	0	372.877	4.896	50	30		FJEARM
N#CC(=NNc1c(Cl)cc(Cl)cc1Cl)C(=O)c1ccccc1	ZINC000252642280	571292174	/nfs/dbraw/zinc/29/21/74/571292174.db2.gz	ZKOHIPOBPRQIBN-UHFFFAOYSA-N	-1	0	352.608	4.821	50	30		FJEARM
Cc1sc(NC(=O)CCC(=O)[O-])c(C#N)c1-c1ccc(C(C)C)cc1	ZINC000002794884	571341101	/nfs/dbraw/zinc/34/11/01/571341101.db2.gz	XOEIBEGRVHSHBH-UHFFFAOYSA-N	-1	0	356.447	4.522	50	30		FJEARM
N#CC(=C([O-])c1ccc(Br)s1)c1nc2ccccc2s1	ZINC000003164101	571345154	/nfs/dbraw/zinc/34/51/54/571345154.db2.gz	SVPZKYHDVXBLRK-QMMMGPOBSA-N	-1	0	363.261	4.610	50	30		FJEARM
N#Cc1c(SCC(=O)[O-])nc(-c2cccs2)cc1-c1ccccc1	ZINC000004179273	571356549	/nfs/dbraw/zinc/35/65/49/571356549.db2.gz	WKFMVHDIGGPGSE-UHFFFAOYSA-N	-1	0	352.440	4.525	50	30		FJEARM
N#Cc1c(=O)[n-]c2c(c1-c1ccc(Cl)cc1)CSc1ccccc1-2	ZINC000001035699	219356223	/nfs/dbraw/zinc/35/62/23/219356223.db2.gz	NJDZQHHWGFAOPP-UHFFFAOYSA-N	-1	0	350.830	4.840	50	30		FJEARM
O=C1C(=O)C([C@@H](c2ccccc2)c2ccc(F)cc2)=C([O-])c2ccccc21	ZINC000001201989	219388578	/nfs/dbraw/zinc/38/85/78/219388578.db2.gz	QXEQCGHNWGAXMB-IBGZPJMESA-N	-1	0	358.368	4.849	50	30		FJEARM
COc1ccc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2[O-])cc1OC	ZINC000005022165	219641557	/nfs/dbraw/zinc/64/15/57/219641557.db2.gz	VPEIPANLZQDSPF-HWKANZROSA-N	-1	0	353.201	4.612	50	30		FJEARM
COc1ccc(C([O-])=CC(=O)c2ccccc2)c(OC(=O)c2ccccc2)c1	ZINC000102604745	209238271	/nfs/dbraw/zinc/23/82/71/209238271.db2.gz	DFWVZFJOEVEJAX-HKWRFOASSA-N	-1	0	374.392	4.696	50	30		FJEARM
[O-]c1c(Br)cc(Br)cc1/C=N/Cc1ccccc1	ZINC000100396187	209213361	/nfs/dbraw/zinc/21/33/61/209213361.db2.gz	MBAKLDOTTWOQOV-RQZCQDPDSA-N	-1	0	369.056	4.536	50	30		FJEARM
C/C(=N\[O-])c1c(OCc2ccc(Cl)cc2)ccc2c(C)cc(=O)oc21	ZINC000012660247	220016423	/nfs/dbraw/zinc/01/64/23/220016423.db2.gz	PXMGPMFHBMFSPT-CIAFOILYSA-N	-1	0	357.793	4.532	50	30		FJEARM
O=C1ON=C(c2ccc(Cl)cc2)/C1=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000004526335	207025252	/nfs/dbraw/zinc/02/52/52/207025252.db2.gz	UNFYZUVMWHPMJM-SDQBBNPISA-N	-1	0	368.603	4.697	50	30		FJEARM
CC(=O)Nc1ccc(/N=C/c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)cc1	ZINC000004742987	207045443	/nfs/dbraw/zinc/04/54/43/207045443.db2.gz	CFQDIMHLONWMKQ-WSDLNYQXSA-N	-1	0	362.385	4.662	50	30		FJEARM
CCN(CC)c1ccc(C=Nn2c(=S)[n-]nc2-c2cccc(C)c2)cc1	ZINC000005793608	207117444	/nfs/dbraw/zinc/11/74/44/207117444.db2.gz	QJXWVNACNMBCEE-KGENOOAVSA-N	-1	0	365.506	4.645	50	30		FJEARM
O=C(c1ccccc1[N+](=O)[O-])C(C(=N[O-])c1ccccc1)c1ccccc1	ZINC000006227312	207134308	/nfs/dbraw/zinc/13/43/08/207134308.db2.gz	CEPOJYALBGHSFH-WRBBJXAJSA-N	-1	0	360.369	4.900	50	30		FJEARM
O=C([O-])c1ccc(-c2ccc(C=NN=c3[nH]c4ccccc4s3)o2)cc1	ZINC000015009757	207540078	/nfs/dbraw/zinc/54/00/78/207540078.db2.gz	QJUDVTCHBGKWSR-RGVLZGJSSA-N	-1	0	363.398	4.701	50	30		FJEARM
CCCCCCCCCCCCCCCC(=O)N[C@@H](CS)C(=O)[O-]	ZINC000102974898	209492707	/nfs/dbraw/zinc/49/27/07/209492707.db2.gz	YYHOQQKJSHXDEN-KRWDZBQOSA-N	-1	0	359.576	4.967	50	30		FJEARM
O=C([O-])COc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1	ZINC000006551878	263345953	/nfs/dbraw/zinc/34/59/53/263345953.db2.gz	TUQVBCPZQVYRID-OVCLIPMQSA-N	-1	0	358.393	4.713	50	30		FJEARM
C=C[C@]1(C)CC2=CC[C@@H]3[C@](C)(C(=O)[O-])CCC[C@]3(C)[C@H]2C[C@H]1OC(C)=O	ZINC000253388413	519305245	/nfs/dbraw/zinc/30/52/45/519305245.db2.gz	TUKYTUMQZQFKNX-IVDWBNGSSA-N	-1	0	360.494	4.748	50	30	biogenic,in-vitro	FJEARM
CC(C)Oc1cccc(-c2n[n-]c(=S)n2N=Cc2ccccc2Cl)c1	ZINC000005859422	519782238	/nfs/dbraw/zinc/78/22/38/519782238.db2.gz	AYUHTQHDEMVMKK-RGVLZGJSSA-N	-1	0	372.881	4.930	50	30		FJEARM
FC(F)(F)c1ccc(C=Nn2c(=S)[n-]nc2C2CCCCC2)cc1	ZINC000002318320	570518953	/nfs/dbraw/zinc/51/89/53/570518953.db2.gz	LABOTLKXMRLBCB-KEBDBYFISA-N	-1	0	354.401	4.889	50	30		FJEARM
O=c1c(N=Nc2cccc(Cl)c2)c(-c2ccccc2)[n-]n1-c1ccccc1	ZINC000004578363	570596874	/nfs/dbraw/zinc/59/68/74/570596874.db2.gz	PGKOQCRCBHZXGC-GFMRDNFCSA-N	-1	0	374.831	4.559	50	30		FJEARM
Cc1ccc(-c2ccc(/C=N/c3cccc([N+](=O)[O-])c3)o2)cc1C(=O)[O-]	ZINC000004739269	570604070	/nfs/dbraw/zinc/60/40/70/570604070.db2.gz	LIIVVIHLBDCYQN-RGVLZGJSSA-N	-1	0	350.330	4.612	50	30		FJEARM
N#Cc1c(=O)[n-]c2c(c1-c1ccccc1Cl)CSc1ccccc1-2	ZINC000001035700	571143954	/nfs/dbraw/zinc/14/39/54/571143954.db2.gz	BZKDRBWTJZBOKF-UHFFFAOYSA-N	-1	0	350.830	4.840	50	30		FJEARM
COc1ccccc1-c1n[n-]c(=S)n1N=Cc1ccc(C(C)(C)C)cc1	ZINC000005789583	571214406	/nfs/dbraw/zinc/21/44/06/571214406.db2.gz	MYTKFWLXDPOZRI-FYJGNVAPSA-N	-1	0	366.490	4.796	50	30		FJEARM
O=c1c(N=Nc2ccc(Cl)cc2)c(-c2ccccc2)[n-]n1-c1ccccc1	ZINC000252461054	571278989	/nfs/dbraw/zinc/27/89/89/571278989.db2.gz	KFFJCIRMIIRNNU-UHFFFAOYSA-N	-1	0	374.831	4.559	50	30		FJEARM
CCOc1cccc(-c2n[n-]c(=S)n2N=Cc2ccc(SC)cc2)c1	ZINC000000731820	571279408	/nfs/dbraw/zinc/27/94/08/571279408.db2.gz	JXFOSYOWWODGEC-XDHOZWIPSA-N	-1	0	370.503	4.610	50	30		FJEARM
COc1cccc2sc(/N=C/c3cc(Br)ccc3O)nc21	ZINC000048524512	571308661	/nfs/dbraw/zinc/30/86/61/571308661.db2.gz	FSLIHCRBBMVESC-CAOOACKPSA-N	-1	0	363.236	4.524	50	30		FJEARM
N#Cc1c(-c2ccccc2)cc(-c2ccc(F)cc2)nc1SCC(=O)[O-]	ZINC000002351020	571318575	/nfs/dbraw/zinc/31/85/75/571318575.db2.gz	GUDXLRLSIOUYOF-UHFFFAOYSA-N	-1	0	364.401	4.603	50	30		FJEARM
Cc1cc(/C=N/c2ccc(C#N)cc2)c(C)n1-c1ccc(C(=O)[O-])cc1C	ZINC000001093459	219368461	/nfs/dbraw/zinc/36/84/61/219368461.db2.gz	YNGJXGLUMAUOKS-ZMOGYAJESA-N	-1	0	357.413	4.723	50	30		FJEARM
Cc1cc(C)c(O)c(/N=C/c2cc(Br)cc(Cl)c2[O-])c1	ZINC000001230540	219391242	/nfs/dbraw/zinc/39/12/42/219391242.db2.gz	RBMLOKNNEHZMJD-CNHKJKLMSA-N	-1	0	354.631	4.881	50	30		FJEARM
O=C(C(C=Nc1ccc(Cl)cc1)=C([O-])c1cccs1)C(F)(F)F	ZINC000100862381	209219600	/nfs/dbraw/zinc/21/96/00/209219600.db2.gz	CKRUSDSSGDXMER-FLIBITNWSA-N	-1	0	359.756	4.712	50	30		FJEARM
Cc1ccc(N=Nc2c(=O)n(-c3ccccc3)[n-]c2-c2ccccc2)c(C)c1	ZINC000004673025	207036782	/nfs/dbraw/zinc/03/67/82/207036782.db2.gz	OPBZVBSTNRLNEG-YYDJUVGSSA-N	-1	0	368.440	4.522	50	30		FJEARM
CC(N=Nc1nc(-c2ccccc2[O-])nc2ccccc21)c1ccccc1	ZINC000004752206	207046523	/nfs/dbraw/zinc/04/65/23/207046523.db2.gz	BDBNJWCYWCMUOI-MFKUBSTISA-N	-1	0	354.413	4.839	50	30		FJEARM
CC1(C)CC(=O)C2=C(C1)Nc1cc(C(=O)[O-])ccc1N[C@H]2c1cccs1	ZINC000005190708	207086538	/nfs/dbraw/zinc/08/65/38/207086538.db2.gz	LFOSWUCUUYCPSD-SFHVURJKSA-N	-1	0	368.458	4.668	50	30		FJEARM
O=[N+]([O-])c1ccc([O-])c(C=NNc2c(Cl)cc(Cl)cc2Cl)c1	ZINC000036047265	208142131	/nfs/dbraw/zinc/14/21/31/208142131.db2.gz	YPBUWTWKCNBCRV-UBKPWBPPSA-N	-1	0	360.584	4.707	50	30		FJEARM
C=CCSc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1Cl	ZINC000048354067	221010226	/nfs/dbraw/zinc/01/02/26/221010226.db2.gz	WOJVYXRPVGQBLY-UHFFFAOYSA-N	-1	0	357.859	4.558	50	30		FJEARM
N#CC(=C([O-])c1cccs1)c1nc2ccc(C(F)(F)F)cc2s1	ZINC000003268665	263328645	/nfs/dbraw/zinc/32/86/45/263328645.db2.gz	ZFVOFZHEUGHLIZ-VIFPVBQESA-N	-1	0	352.362	4.867	50	30		FJEARM
Cc1cc(/C=N/OCc2ccccc2)c(C)n1-c1ccc(C(=O)[O-])cc1C	ZINC000004712307	263336366	/nfs/dbraw/zinc/33/63/66/263336366.db2.gz	ROVMLFKHAZDBHC-YDZHTSKRSA-N	-1	0	362.429	4.651	50	30		FJEARM
CC(C)(C)c1[n-]n(Cc2csc(-c3cccs3)n2)c(=O)c1CCC#N	ZINC000153475424	519118083	/nfs/dbraw/zinc/11/80/83/519118083.db2.gz	POISXSRXMFQVRO-UHFFFAOYSA-N	-1	0	372.519	4.576	50	30		FJEARM
CCCCCCCCCCCCNc1ccc(S(=O)(=O)[O-])cc1N	ZINC000101016215	520012220	/nfs/dbraw/zinc/01/22/20/520012220.db2.gz	XTBXQSXGVKDATM-UHFFFAOYSA-N	-1	0	356.532	4.848	50	30		FJEARM
Cc1cccc(C=Nn2c(=S)[n-]nc2-c2cccc(OC(C)C)c2)c1	ZINC000006199720	524153409	/nfs/dbraw/zinc/15/34/09/524153409.db2.gz	RFCLCOLLDIOJBH-UDWIEESQSA-N	-1	0	352.463	4.586	50	30		FJEARM
COc1ccc(-c2n[n-]c(=S)n2N=Cc2ccc(C(C)(C)C)cc2)cc1	ZINC000002329739	570519195	/nfs/dbraw/zinc/51/91/95/570519195.db2.gz	KVMGPMIWESCAFY-FYJGNVAPSA-N	-1	0	366.490	4.796	50	30		FJEARM
O=c1[n-][nH]c(=O)c2cccc(N=Cc3c4ccccc4cc4ccccc43)c12	ZINC000005484137	570628322	/nfs/dbraw/zinc/62/83/22/570628322.db2.gz	JMSQXXXAQNCHKF-CFRMEGHHSA-N	-1	0	365.392	4.686	50	30		FJEARM
Cc1ccc(-c2ccc(/C=N/c3ccc(C)c([N+](=O)[O-])c3)o2)cc1C(=O)[O-]	ZINC000006033107	570640184	/nfs/dbraw/zinc/64/01/84/570640184.db2.gz	OMVFMTQUVHNISA-SRZZPIQSSA-N	-1	0	364.357	4.920	50	30		FJEARM
Cc1c(Cl)cccc1/N=C/c1cc(Br)cc([N+](=O)[O-])c1[O-]	ZINC000006184505	570642596	/nfs/dbraw/zinc/64/25/96/570642596.db2.gz	TUVDIHCXTZHYFL-REZTVBANSA-N	-1	0	369.602	4.775	50	30		FJEARM
COc1ccc(-c2cc(-c3ccc(Cl)c(Cl)c3)[n-]c(=O)c2C#N)cc1	ZINC000001387571	571056939	/nfs/dbraw/zinc/05/69/39/571056939.db2.gz	VATXYARQFSUHED-UHFFFAOYSA-N	-1	0	371.223	4.896	50	30		FJEARM
Cc1cccc2c1nc1[n-]c(NN=Cc3ccc(Cl)cc3Cl)nnc2-1	ZINC000033154928	571062951	/nfs/dbraw/zinc/06/29/51/571062951.db2.gz	ODPNSWHLQATQER-ZBKNUEDVSA-N	-1	0	371.231	4.567	50	30		FJEARM
O=C(/C=C/c1ccc(-c2ccccc2)o1)c1c(=O)oc2ccccc2c1[O-]	ZINC000004715993	571167518	/nfs/dbraw/zinc/16/75/18/571167518.db2.gz	RTMSLKPSZPVMOT-ZRDIBKRKSA-N	-1	0	358.349	4.655	50	30		FJEARM
N#Cc1c(=O)[n-]c(-c2ccc(F)cc2)cc1-c1ccccc1C(F)(F)F	ZINC000004024976	571204486	/nfs/dbraw/zinc/20/44/86/571204486.db2.gz	OSWVIFMGLQPIGZ-UHFFFAOYSA-N	-1	0	358.294	4.738	50	30		FJEARM
Cc1ccc(N=Nc2c(=O)n(-c3ccccc3)[n-]c2-c2ccccc2)c(C)c1	ZINC000252461948	571278963	/nfs/dbraw/zinc/27/89/63/571278963.db2.gz	OPBZVBSTNRLNEG-UHFFFAOYSA-N	-1	0	368.440	4.522	50	30		FJEARM
[O-]c1c(Cl)cc(Br)cc1/C=N/c1cc(Cl)ccc1O	ZINC000003114673	571344825	/nfs/dbraw/zinc/34/48/25/571344825.db2.gz	CKIGATXWRGIYGK-UBKPWBPPSA-N	-1	0	361.022	4.918	50	30		FJEARM
CCCNc1c2ccccc2oc(=O)c1/N=C(\[O-])Nc1ccc(CC)cc1	ZINC000028048678	571337753	/nfs/dbraw/zinc/33/77/53/571337753.db2.gz	BALMNRXWJTVLAS-UHFFFAOYSA-N	-1	0	365.433	4.835	50	30		FJEARM
COc1ccc(OC)c(/N=C/c2cc(Br)cc(Cl)c2[O-])c1	ZINC000003066574	571344520	/nfs/dbraw/zinc/34/45/20/571344520.db2.gz	BPLINQDJPFIZRM-QGMBQPNBSA-N	-1	0	370.630	4.576	50	30		FJEARM
N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCCC(=O)[O-]	ZINC000000873366	219334662	/nfs/dbraw/zinc/33/46/62/219334662.db2.gz	JMDNPLKQHAHNSW-UHFFFAOYSA-N	-1	0	360.438	4.854	50	30		FJEARM
O=C([O-])c1ccc(/N=C/c2cccn2-c2ccc(Br)cc2)cc1	ZINC000001098447	219368694	/nfs/dbraw/zinc/36/86/94/219368694.db2.gz	OWLBCCHKXAOKQB-UDWIEESQSA-N	-1	0	369.218	4.689	50	30		FJEARM
Cc1ccc(-c2nc(SCc3ccc(Cl)cc3)[n-]c(=O)c2C#N)cc1	ZINC000005238278	219664206	/nfs/dbraw/zinc/66/42/06/219664206.db2.gz	KJJKWKLBYYRXJI-UHFFFAOYSA-N	-1	0	367.861	4.563	50	30		FJEARM
O=c1c2cccc3cccc(c(=O)c1=S([O-])c1ccc(Cl)cc1)c32	ZINC000006995861	219786399	/nfs/dbraw/zinc/78/63/99/219786399.db2.gz	GPNGWOBKONOKJA-DEOSSOPVSA-N	-1	0	354.814	4.724	50	30		FJEARM
O=C(C(C=Nc1cccc(Cl)c1)=C([O-])c1cccs1)C(F)(F)F	ZINC000100862385	209219096	/nfs/dbraw/zinc/21/90/96/209219096.db2.gz	GUNHNELRHOARNF-FLIBITNWSA-N	-1	0	359.756	4.712	50	30		FJEARM
Cc1ccc(C)c(N=CC(C(=O)C(F)(F)F)=C([O-])c2cccs2)c1	ZINC000100862370	209218605	/nfs/dbraw/zinc/21/86/05/209218605.db2.gz	JLHKNSVDQGVGOV-XFXZXTDPSA-N	-1	0	353.365	4.675	50	30		FJEARM
N#Cc1c(=O)[n-]c(SCc2ccc(Cl)cc2)nc1-c1cccs1	ZINC000015989616	220174668	/nfs/dbraw/zinc/17/46/68/220174668.db2.gz	JQXFFLCVJXGBDY-UHFFFAOYSA-N	-1	0	359.863	4.728	50	30		FJEARM
COc1cccc(-c2n[n-]c(=S)n2N=Cc2cccc3ccccc23)c1	ZINC000006007356	207125622	/nfs/dbraw/zinc/12/56/22/207125622.db2.gz	WSBRESIYNWPVBX-FYJGNVAPSA-N	-1	0	360.442	4.652	50	30		FJEARM
Fc1ccccc1-c1n[n-]c(=S)n1N=Cc1ccc(Cl)cc1Cl	ZINC000006102784	207128868	/nfs/dbraw/zinc/12/88/68/207128868.db2.gz	SLYQHIGWIAOMIP-UFWORHAWSA-N	-1	0	367.236	4.936	50	30		FJEARM
COc1ccc2ccccc2c1C=Nn1c(=S)[n-]nc1-c1ccc(C)cc1	ZINC000006199513	207133345	/nfs/dbraw/zinc/13/33/45/207133345.db2.gz	MOIXRBZBJLBDAD-LPYMAVHISA-N	-1	0	374.469	4.960	50	30		FJEARM
CC(=NNc1nnc2c3cccc(C)c3nc-2[n-]1)c1ccc(C(C)C)cc1	ZINC000006504551	207143419	/nfs/dbraw/zinc/14/34/19/207143419.db2.gz	YWCDUKFTHQTJOY-OYKKKHCWSA-N	-1	0	358.449	4.774	50	30		FJEARM
N#CCOc1ccccc1/C=C(\CCC(=O)[O-])c1nc2ccccc2s1	ZINC000006870022	207174298	/nfs/dbraw/zinc/17/42/98/207174298.db2.gz	KPFAKEKZRZJARP-FYWRMAATSA-N	-1	0	364.426	4.604	50	30		FJEARM
[O-]c1c(Br)cc(Br)cc1/C=N/c1cccc(F)c1	ZINC000100454415	222243998	/nfs/dbraw/zinc/24/39/98/222243998.db2.gz	DXEXCQRUXYJAMP-REZTVBANSA-N	-1	0	373.019	4.807	50	30		FJEARM
C=CCc1ccccc1N(C(=O)c1ccccc1)[C@@H](C(=O)[O-])c1ccccc1	ZINC000252502384	519143186	/nfs/dbraw/zinc/14/31/86/519143186.db2.gz	UPNGZTIJMHDJRM-JOCHJYFZSA-N	-1	0	371.436	4.888	50	30		FJEARM
C=CCc1ccccc1N(C(=O)c1ccccc1)[C@H](C(=O)[O-])c1ccccc1	ZINC000252502385	519143477	/nfs/dbraw/zinc/14/34/77/519143477.db2.gz	UPNGZTIJMHDJRM-QFIPXVFZSA-N	-1	0	371.436	4.888	50	30		FJEARM
CCC(=O)c1ccc([O-])c(NC(=O)c2csc(Cc3ccccc3)n2)c1	ZINC000328596630	521243975	/nfs/dbraw/zinc/24/39/75/521243975.db2.gz	JTZCRMRVVQMOOR-UHFFFAOYSA-N	-1	0	366.442	4.669	50	30		FJEARM
O=C([O-])c1ccc(COc2ccccc2/C=N\OCc2ccccc2)cc1	ZINC000004546063	526368846	/nfs/dbraw/zinc/36/88/46/526368846.db2.gz	LEGACIYNUPJCTF-UCQKPKSFSA-N	-1	0	361.397	4.515	50	30		FJEARM
CC(=O)Nc1cccc(/N=C/c2cc(Br)cc(Cl)c2[O-])c1	ZINC000000989959	570468545	/nfs/dbraw/zinc/46/85/45/570468545.db2.gz	JPMFEBAWEXIHOC-QGMBQPNBSA-N	-1	0	367.630	4.517	50	30		FJEARM
COc1ccc(-c2n[n-]c(=S)n2N=Cc2ccc(C(C)C)cc2)cc1	ZINC000001252166	570496080	/nfs/dbraw/zinc/49/60/80/570496080.db2.gz	SFXNYYXIFLHPKC-UDWIEESQSA-N	-1	0	352.463	4.622	50	30		FJEARM
CC(C)(C)c1ccc(-c2n[n-]c(=S)n2N=Cc2ccccc2F)cc1	ZINC000002336032	570519228	/nfs/dbraw/zinc/51/92/28/570519228.db2.gz	HECNOZRGKQNCIS-CIAFOILYSA-N	-1	0	354.454	4.926	50	30		FJEARM
COc1ccccc1C=Nn1c(=S)[n-]nc1-c1ccc(C(C)(C)C)cc1	ZINC000002352779	570519779	/nfs/dbraw/zinc/51/97/79/570519779.db2.gz	CISDPLLALZSHJW-FYJGNVAPSA-N	-1	0	366.490	4.796	50	30		FJEARM
Cc1ccc(-c2n[n-]c(=S)n2N=Cc2ccccc2Br)cc1	ZINC000005647219	570632649	/nfs/dbraw/zinc/63/26/49/570632649.db2.gz	QWWYZQPGCNKZMM-VCHYOVAHSA-N	-1	0	373.279	4.561	50	30		FJEARM
N#Cc1c(SCC(=O)[O-])nc(-c2cccs2)cc1-c1cccs1	ZINC000005394915	570652000	/nfs/dbraw/zinc/65/20/00/570652000.db2.gz	TVGHILFXILDRHA-UHFFFAOYSA-N	-1	0	358.469	4.587	50	30		FJEARM
CCNc1c2ccccc2oc(=O)c1/N=C(\[O-])Nc1cccc(Cl)c1C	ZINC000028048729	571337787	/nfs/dbraw/zinc/33/77/87/571337787.db2.gz	LPLRVPJPPUPWQI-UHFFFAOYSA-N	-1	0	371.824	4.844	50	30		FJEARM
Cc1sc(NC(=O)CCCC(=O)[O-])c(C#N)c1-c1ccc(C(C)C)cc1	ZINC000002789337	571340948	/nfs/dbraw/zinc/34/09/48/571340948.db2.gz	BTFRBVHPUHSIPP-UHFFFAOYSA-N	-1	0	370.474	4.912	50	30		FJEARM
Cn1c2ccccc2nc1C(C#N)=C([O-])c1sc2ccccc2c1Cl	ZINC000001235408	209388170	/nfs/dbraw/zinc/38/81/70/209388170.db2.gz	NWOAKOHSNMYZJJ-LBPRGKRZSA-N	-1	0	365.845	4.931	50	30	aggregator	FJEARM
O=C(C=C([O-])c1ccc(Cl)cc1)C(O)=CC(=O)c1ccc(Cl)cc1	ZINC000100469450	209214490	/nfs/dbraw/zinc/21/44/90/209214490.db2.gz	UAROJMZLVNTJFN-BEQMOXJMSA-N	-1	0	363.196	4.943	50	30		FJEARM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(-c2ccccc2)cc1	ZINC000100399138	209213613	/nfs/dbraw/zinc/21/36/13/209213613.db2.gz	OEXUTRAFLGMEKV-FLFQWRMESA-N	-1	0	354.413	4.544	50	30		FJEARM
O=C(C=C([O-])c1ccc(Cl)cc1)C(O)=CC(=O)c1ccc(Cl)cc1	ZINC000100330979	209211990	/nfs/dbraw/zinc/21/19/90/209211990.db2.gz	UAROJMZLVNTJFN-XFQWXJFMSA-N	-1	0	363.196	4.943	50	30		FJEARM
Cc1cc(C(=O)Nc2sc(C)c(-c3ccc(C)c(C)c3)c2C#N)no1	ZINC000013327987	220063398	/nfs/dbraw/zinc/06/33/98/220063398.db2.gz	JHFGFCLAACBEQX-UHFFFAOYSA-N	-1	0	351.431	4.761	50	30		FJEARM
[O-]c1c(Br)cc(Br)cc1/C=N/c1ccc(F)cc1	ZINC000100237857	209212212	/nfs/dbraw/zinc/21/22/12/209212212.db2.gz	QUZHQTXSURKZSX-REZTVBANSA-N	-1	0	373.019	4.807	50	30		FJEARM
Cc1ccc(-c2nc3ncccc3o2)cc1/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000004819834	207051838	/nfs/dbraw/zinc/05/18/38/207051838.db2.gz	GQSCGGVKFGTWCT-SSDVNMTOSA-N	-1	0	374.356	4.563	50	30		FJEARM
Fc1ccccc1-c1n[n-]c(=S)n1N=Cc1ccc(Cl)c(Cl)c1	ZINC000006227953	207134400	/nfs/dbraw/zinc/13/44/00/207134400.db2.gz	ZLMKOVMIZLYTBG-UFWORHAWSA-N	-1	0	367.236	4.936	50	30		FJEARM
Cc1c(/N=C/c2cc(Cl)cc(Br)c2[O-])cccc1[N+](=O)[O-]	ZINC000102422538	222296764	/nfs/dbraw/zinc/29/67/64/222296764.db2.gz	BRIYYQUZWSMZCV-REZTVBANSA-N	-1	0	369.602	4.775	50	30		FJEARM
Cc1ccc(O)c(/N=C/c2cc(Cc3ccccc3)cc([N+](=O)[O-])c2[O-])c1	ZINC000004592698	263334441	/nfs/dbraw/zinc/33/44/41/263334441.db2.gz	JVGYVWIHLXCCDF-LPYMAVHISA-N	-1	0	362.385	4.656	50	30		FJEARM
CCCOc1ccccc1C=Nn1c(=S)[n-]nc1-c1ccc(C)cc1	ZINC000005899696	520472830	/nfs/dbraw/zinc/47/28/30/520472830.db2.gz	BUFKGQJANHAVRM-DEDYPNTBSA-N	-1	0	352.463	4.587	50	30		FJEARM
COc1cccc(-c2n[n-]c(=S)n2N=CC(C)=Cc2ccccc2)c1	ZINC000005789130	525718223	/nfs/dbraw/zinc/71/82/23/525718223.db2.gz	NYCAJPJPQHHCRC-NKSMKPMTSA-N	-1	0	350.447	4.554	50	30		FJEARM
Cc1ccc(-c2ccc(/C=N\c3cccc([N+](=O)[O-])c3)o2)cc1C(=O)[O-]	ZINC000015227485	525742909	/nfs/dbraw/zinc/74/29/09/525742909.db2.gz	LIIVVIHLBDCYQN-JAIQZWGSSA-N	-1	0	350.330	4.612	50	30		FJEARM
CC(C)(C)c1ccc(-c2n[n-]c(=S)n2N=Cc2ccc(F)cc2)cc1	ZINC000002244533	570517790	/nfs/dbraw/zinc/51/77/90/570517790.db2.gz	NOPGTYGHUFTPRW-CIAFOILYSA-N	-1	0	354.454	4.926	50	30		FJEARM
CN(/N=C/c1cc(Cl)cc(Cl)c1[O-])c1c(Cl)cccc1[N+](=O)[O-]	ZINC000004322929	570585368	/nfs/dbraw/zinc/58/53/68/570585368.db2.gz	AVTPFCSTXKXMSO-CNHKJKLMSA-N	-1	0	374.611	4.731	50	30		FJEARM
CC(=NNc1ccc(Cl)c(C(=O)[O-])c1)c1ccc(Br)cc1	ZINC000004925132	570613954	/nfs/dbraw/zinc/61/39/54/570613954.db2.gz	FVOCNCWWKHRZJQ-GIJQJNRQSA-N	-1	0	367.630	4.637	50	30		FJEARM
COc1ccc(-c2n[n-]c(=S)n2N=CC(C)=Cc2ccccc2)cc1	ZINC000005665297	570632593	/nfs/dbraw/zinc/63/25/93/570632593.db2.gz	KIHBGSRERCPUDK-OCRAYANJSA-N	-1	0	350.447	4.554	50	30		FJEARM
CC(C)(C)c1ccc(-c2n[n-]c(=S)n2N=Cc2cccc(F)c2)cc1	ZINC000005669438	570633084	/nfs/dbraw/zinc/63/30/84/570633084.db2.gz	YYAQSRSSLOAAJF-CIAFOILYSA-N	-1	0	354.454	4.926	50	30		FJEARM
CC1=NN([C@H](C#N)c2cc(Br)ccc2O)[C@H](c2ccccc2)C1	ZINC000230033787	571095863	/nfs/dbraw/zinc/09/58/63/571095863.db2.gz	NVEJHJPXAAABST-DLBZAZTESA-N	-1	0	370.250	4.542	50	30		FJEARM
C=CCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccc(C(=O)[O-])cc1	ZINC000006947867	571255517	/nfs/dbraw/zinc/25/55/17/571255517.db2.gz	NUECVVCRHMYOAW-VZCXRCSSSA-N	-1	0	370.861	4.987	50	30		FJEARM
N#Cc1c(NC(=O)CC2(C(=O)[O-])CCCCCC2)sc2c1CCCCC2	ZINC000010023382	571270110	/nfs/dbraw/zinc/27/01/10/571270110.db2.gz	CQGVVPRUJWHFON-UHFFFAOYSA-N	-1	0	374.506	4.642	50	30		FJEARM
COc1ccccc1-c1n[n-]c(=S)n1N=Cc1cccc2ccccc12	ZINC000006007492	571272710	/nfs/dbraw/zinc/27/27/10/571272710.db2.gz	RBSRVDNWIQUCJT-FYJGNVAPSA-N	-1	0	360.442	4.652	50	30		FJEARM
O=c1c(N=Nc2cccc(Cl)c2)c(-c2ccccc2)[n-]n1-c1ccccc1	ZINC000252624105	571288697	/nfs/dbraw/zinc/28/86/97/571288697.db2.gz	PGKOQCRCBHZXGC-UHFFFAOYSA-N	-1	0	374.831	4.559	50	30		FJEARM
Cc1ccc2nc(-c3ccc(N=Cc4ccc5c(c4)OCO5)cc3O)oc2c1	ZINC000252628764	571289377	/nfs/dbraw/zinc/28/93/77/571289377.db2.gz	SXIASZKNAHIKKD-UHFFFAOYSA-N	-1	0	372.380	4.988	50	30		FJEARM
CC(=NNc1nnc2c3cccc(C)c3nc-2[n-]1)c1ccc(C(C)C)cc1	ZINC000252640651	571291636	/nfs/dbraw/zinc/29/16/36/571291636.db2.gz	YWCDUKFTHQTJOY-UHFFFAOYSA-N	-1	0	358.449	4.774	50	30		FJEARM
CCCNc1c2ccccc2oc(=O)c1/N=C(\[O-])Nc1ccc(Cl)cc1	ZINC000028048853	571337754	/nfs/dbraw/zinc/33/77/54/571337754.db2.gz	QUVAHUBRVIXUEF-UHFFFAOYSA-N	-1	0	371.824	4.926	50	30		FJEARM
CCNc1c2ccccc2oc(=O)c1/N=C(\[O-])Nc1ccc(Cl)cc1	ZINC000028048735	571337760	/nfs/dbraw/zinc/33/77/60/571337760.db2.gz	GYDFFDHMOLNFOQ-UHFFFAOYSA-N	-1	0	357.797	4.536	50	30		FJEARM
Cc1cc(C)cc(NC(=S)N/N=C/c2cc(Cl)cc(Cl)c2[O-])c1	ZINC000001045284	219357377	/nfs/dbraw/zinc/35/73/77/219357377.db2.gz	IDBYTQNGFTWGCO-UFWORHAWSA-N	-1	0	368.289	4.636	50	30		FJEARM
CC[C@@H](C)c1ccc(-c2c(C)sc(NC(=O)/C=C/C(=O)[O-])c2C#N)cc1	ZINC000002773539	219463382	/nfs/dbraw/zinc/46/33/82/219463382.db2.gz	RWEGWIMSGRLMHG-BZYZDCJZSA-N	-1	0	368.458	4.688	50	30		FJEARM
O=C([O-])c1c(F)c(F)c(F)c(F)c1Nc1cccc(C(F)(F)F)c1	ZINC000003651444	219524061	/nfs/dbraw/zinc/52/40/61/219524061.db2.gz	BSUHXVOAOAENML-UHFFFAOYSA-N	-1	0	353.193	4.704	50	30		FJEARM
Cc1cccc(-c2n[n-]c(=S)n2N=Cc2ccc(Br)cc2)c1	ZINC000006055685	219711706	/nfs/dbraw/zinc/71/17/06/219711706.db2.gz	XAPPHSXAHBGMSJ-VCHYOVAHSA-N	-1	0	373.279	4.561	50	30		FJEARM
O=c1c(N=Nc2cccc(Cl)c2)c(-c2ccccc2)[n-]n1-c1ccccc1	ZINC000101436263	209226141	/nfs/dbraw/zinc/22/61/41/209226141.db2.gz	PGKOQCRCBHZXGC-HIXSDJFHSA-N	-1	0	374.831	4.559	50	30		FJEARM
[O-]c1ccccc1-c1nc(C(F)(F)F)cc(C(F)(F)C(F)(F)F)n1	ZINC000098008917	209202408	/nfs/dbraw/zinc/20/24/08/209202408.db2.gz	UGPAXTCIHKJKMO-UHFFFAOYSA-N	-1	0	358.188	4.522	50	30		FJEARM
C=CCOc1ccc(/C=C(\CC(=O)[O-])c2nc3ccccc3s2)cc1	ZINC000016411630	220183689	/nfs/dbraw/zinc/18/36/89/220183689.db2.gz	NYYKONMQTGRCLT-NTCAYCPXSA-N	-1	0	351.427	4.876	50	30		FJEARM
COc1ccc(/C=C/C(=O)c2cc(Cl)cc(Br)c2[O-])cc1	ZINC000004252496	207009015	/nfs/dbraw/zinc/00/90/15/207009015.db2.gz	HRQZDRHJMSZPNM-QPJJXVBHSA-N	-1	0	367.626	4.713	50	30		FJEARM
O=C([O-])c1ccc(Cl)c(-c2ccc(/C=N/c3ccc4c(c3)OCO4)o2)c1	ZINC000004738521	207042854	/nfs/dbraw/zinc/04/28/54/207042854.db2.gz	ZBSGVQMHILBGDP-ZVBGSRNCSA-N	-1	0	369.760	4.778	50	30		FJEARM
Cc1cccc(/N=C/c2c3c(cc([N+](=O)[O-])c2[O-])oc2c3CCCC2)c1	ZINC000004811858	207050231	/nfs/dbraw/zinc/05/02/31/207050231.db2.gz	FZQRXWISLYNFRJ-SRZZPIQSSA-N	-1	0	350.374	4.984	50	30		FJEARM
COc1cccc(-c2n[n-]c(=S)n2N=Cc2ccc(C(C)(C)C)cc2)c1	ZINC000005789581	207116862	/nfs/dbraw/zinc/11/68/62/207116862.db2.gz	NQKAOHKRDOPLKM-FYJGNVAPSA-N	-1	0	366.490	4.796	50	30		FJEARM
Cc1cccc(-c2n[n-]c(=S)n2N=Cc2ccccc2C(F)(F)F)c1	ZINC000006174192	207132196	/nfs/dbraw/zinc/13/21/96/207132196.db2.gz	VEUXKBPYCMMBOU-UFFVCSGVSA-N	-1	0	362.380	4.817	50	30		FJEARM
Cc1c(C=Cc2cccc(Oc3ccc(Cl)cc3)c2)n[n-]c(=O)c1C#N	ZINC000096889693	222136136	/nfs/dbraw/zinc/13/61/36/222136136.db2.gz	LOKMKRIJLVFQLM-YHYXMXQVSA-N	-1	0	363.804	4.978	50	30		FJEARM
C=C[C@]1(C)CC2=CC[C@@H]3[C@](C)(C(=O)[O-])CCC[C@]3(C)[C@H]2C[C@@H]1OC(C)=O	ZINC000253388415	519304514	/nfs/dbraw/zinc/30/45/14/519304514.db2.gz	TUKYTUMQZQFKNX-XBWUDYBRSA-N	-1	0	360.494	4.748	50	30	biogenic,in-vitro	FJEARM
CCCOc1ccc(C=Nn2c(=S)[n-]nc2-c2cccc(C)c2)cc1	ZINC000005892754	520322698	/nfs/dbraw/zinc/32/26/98/520322698.db2.gz	DBDBIKKFWAACNL-DEDYPNTBSA-N	-1	0	352.463	4.587	50	30		FJEARM
COc1cccc(C=Nn2c(=S)[n-]nc2-c2ccc(C(C)(C)C)cc2)c1	ZINC000002325357	570519201	/nfs/dbraw/zinc/51/92/01/570519201.db2.gz	ZXPGGTDRULSPKB-FYJGNVAPSA-N	-1	0	366.490	4.796	50	30		FJEARM
N#C[C@@H](c1ccccc1O)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1	ZINC000003902323	570571176	/nfs/dbraw/zinc/57/11/76/570571176.db2.gz	YGDITCBMINIEBS-YADHBBJMSA-N	-1	0	353.425	4.808	50	30		FJEARM
CC1(C)CC(=O)C2=C(C1)Nc1cc(C(=O)[O-])ccc1N[C@@H]2c1cccs1	ZINC000005190834	570621859	/nfs/dbraw/zinc/62/18/59/570621859.db2.gz	LFOSWUCUUYCPSD-GOSISDBHSA-N	-1	0	368.458	4.668	50	30		FJEARM
Cc1c2cc3c(C)cc(=O)oc3c(C)c2oc1/C(=N/[O-])c1ccc(C)cc1	ZINC000012447464	570746574	/nfs/dbraw/zinc/74/65/74/570746574.db2.gz	TTXHLRLFRMLKRI-FCDQGJHFSA-N	-1	0	361.397	4.999	50	30		FJEARM
O=C(CC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1ccc(Cl)cc1	ZINC000101407314	570820041	/nfs/dbraw/zinc/82/00/41/570820041.db2.gz	GUDUITNCMNVOMZ-UITAMQMPSA-N	-1	0	350.617	4.798	50	30		FJEARM
[O-]C1=NC(=N\c2ccccc2)/C(=C/c2c(Cl)nc3sccn23)S1	ZINC000071286622	571269989	/nfs/dbraw/zinc/26/99/89/571269989.db2.gz	BDOUAQOPWCTISI-FLIBITNWSA-N	-1	0	360.851	4.781	50	30		FJEARM
CC(=O)Nc1cccc(N=Cc2cc(Br)cc(Cl)c2[O-])c1	ZINC000252615143	571285955	/nfs/dbraw/zinc/28/59/55/571285955.db2.gz	JPMFEBAWEXIHOC-UHFFFAOYSA-N	-1	0	367.630	4.517	50	30		FJEARM
CC(=O)c1ccc(N=Cc2cc(Br)cc(Cl)c2[O-])cc1	ZINC000003116251	571293471	/nfs/dbraw/zinc/29/34/71/571293471.db2.gz	BVBFCZOQFZCYCJ-QGMBQPNBSA-N	-1	0	352.615	4.761	50	30		FJEARM
CC(=O)Nc1ccc(/N=C/c2cc(Br)cc(Cl)c2[O-])cc1	ZINC000001051291	219359260	/nfs/dbraw/zinc/35/92/60/219359260.db2.gz	DODYXZXPYQESOM-QGMBQPNBSA-N	-1	0	367.630	4.517	50	30		FJEARM
C/C(=N\c1ccccc1)c1c([O-])c2ccccc2n(-c2ccccc2)c1=O	ZINC000100370426	209213772	/nfs/dbraw/zinc/21/37/72/209213772.db2.gz	HEKPHJGQFJNFAX-LFVJCYFKSA-N	-1	0	354.409	4.837	50	30		FJEARM
CCCCCCCCCCCCCCN(CCO)C(=O)CCCC(=O)[O-]	ZINC000100730491	209217412	/nfs/dbraw/zinc/21/74/12/209217412.db2.gz	CVIINHWZGWAXPR-UHFFFAOYSA-N	-1	0	371.562	4.763	50	30		FJEARM
CCNc1c2ccccc2oc(=O)c1/N=C(\[O-])COc1ccc(Cl)cc1	ZINC000015942074	220172339	/nfs/dbraw/zinc/17/23/39/220172339.db2.gz	VHXVKHMFFJTDNT-UHFFFAOYSA-N	-1	0	372.808	4.545	50	30		FJEARM
O=C([O-])c1cccc(-c2ccc(C=NN=c3[nH]c4ccccc4s3)o2)c1	ZINC000004478072	207021249	/nfs/dbraw/zinc/02/12/49/207021249.db2.gz	OWUDGUNBNDBXHA-RGVLZGJSSA-N	-1	0	363.398	4.701	50	30		FJEARM
CCOc1cccc(-c2n[n-]c(=S)n2N=Cc2ccc(Cl)cc2)c1	ZINC000005900789	207122465	/nfs/dbraw/zinc/12/24/65/207122465.db2.gz	VFASIPMTFHMMME-YBFXNURJSA-N	-1	0	358.854	4.542	50	30		FJEARM
O=[N+]([O-])c1cc(Br)cc(/C=N/c2cccc3ccccc32)c1[O-]	ZINC000006244082	207134996	/nfs/dbraw/zinc/13/49/96/207134996.db2.gz	QYZOBYSWUSFCTA-VXLYETTFSA-N	-1	0	371.190	4.967	50	30		FJEARM
C[C@@H]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2ccc(C#N)cc2)C1	ZINC000006509853	207143870	/nfs/dbraw/zinc/14/38/70/207143870.db2.gz	UIOWNRMNJKPHTG-IQGJIOQQSA-N	-1	0	354.409	4.928	50	30		FJEARM
Cc1ccc(C(=O)CSc2[n-]c(=O)cc(-c3ccccc3)c2C#N)c(C)c1	ZINC000008934387	207252413	/nfs/dbraw/zinc/25/24/13/207252413.db2.gz	FYDYTAQBMLLOEP-UHFFFAOYSA-N	-1	0	374.465	4.918	50	30		FJEARM
CC1(c2ccccc2)CC(/C(=N\NC([O-])=S)c2cc3ccccc3o2)C1	ZINC000068602726	221316258	/nfs/dbraw/zinc/31/62/58/221316258.db2.gz	PSDSYKSJWZARJJ-ZBJSNUHESA-N	-1	0	364.470	4.937	50	30		FJEARM
S=c1[n-]nc(C2CCCCC2)n1N=Cc1ccccc1Br	ZINC000001302197	570497050	/nfs/dbraw/zinc/49/70/50/570497050.db2.gz	QLDRDCKQFLYWOP-LICLKQGHSA-N	-1	0	365.300	4.633	50	30		FJEARM
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc(C(=O)[O-])cc1	ZINC000005250069	570622623	/nfs/dbraw/zinc/62/26/23/570622623.db2.gz	LHHKWANIKWIUEI-HXUWFJFHSA-N	-1	0	362.429	4.607	50	30		FJEARM
S=c1[n-]nc(C2CCCCC2)n1N=Cc1ccc(Br)s1	ZINC000006227654	570643710	/nfs/dbraw/zinc/64/37/10/570643710.db2.gz	YNCSZKXHXVCFKK-OVCLIPMQSA-N	-1	0	371.329	4.695	50	30		FJEARM
C=CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccccc2-c2cccc(C)c2)C1	ZINC000091587117	571063090	/nfs/dbraw/zinc/06/30/90/571063090.db2.gz	RMXIVPHYFDJIDN-HSZRJFAPSA-N	-1	0	363.457	4.545	50	30		FJEARM
Cc1ccccc1-c1nc2cc(/N=C/c3cc(C(=O)[O-])ccc3O)ccc2o1	ZINC000001435170	571089285	/nfs/dbraw/zinc/08/92/85/571089285.db2.gz	ZJAAXAHOHWXIIQ-FSJBWODESA-N	-1	0	372.380	4.958	50	30		FJEARM
Cc1ccc(C)n1-c1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)cc1	ZINC000041542280	571112846	/nfs/dbraw/zinc/11/28/46/571112846.db2.gz	BJVOGACYHQPOJF-SFHVURJKSA-N	-1	0	355.397	4.725	50	30		FJEARM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2N=Cc2ccc(F)cc2)cc1	ZINC000254679547	571135707	/nfs/dbraw/zinc/13/57/07/571135707.db2.gz	OMETVNRHDMJBAM-UHFFFAOYSA-N	-1	0	368.433	4.686	50	30		FJEARM
O=C(/C=C/c1cc(Cl)cc2c1COCO2)c1ccc2ccccc2c1[O-]	ZINC000004771245	571233852	/nfs/dbraw/zinc/23/38/52/571233852.db2.gz	QDQIQBCUELSSSX-SOFGYWHQSA-N	-1	0	366.800	4.961	50	30		FJEARM
COc1cccc(-c2nc3ccccc3c(Oc3ccc(C#N)cc3)n2)c1[O-]	ZINC000002395240	571321311	/nfs/dbraw/zinc/32/13/11/571321311.db2.gz	PYNUVHQBXULRQM-UHFFFAOYSA-N	-1	0	369.380	4.675	50	30		FJEARM
CCCNc1c2ccccc2oc(=O)c1/N=C(\[O-])Nc1cc(C)cc(C)c1	ZINC000028048851	571337771	/nfs/dbraw/zinc/33/77/71/571337771.db2.gz	QYVCXRJFLSZPGP-UHFFFAOYSA-N	-1	0	365.433	4.889	50	30		FJEARM
Cn1c2ccccc2nc1C(C#N)=C([O-])c1sc2ccccc2c1Cl	ZINC000001235409	219392825	/nfs/dbraw/zinc/39/28/25/219392825.db2.gz	NWOAKOHSNMYZJJ-GFCCVEGCSA-N	-1	0	365.845	4.931	50	30	aggregator	FJEARM
Oc1ccc(Br)cc1/C=N/c1ccc(Br)cc1	ZINC000018276247	220229954	/nfs/dbraw/zinc/22/99/54/220229954.db2.gz	WBJGMDBPWOVGSW-LZYBPNLTSA-N	-1	0	355.029	4.668	50	30		FJEARM
C=CC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccccc2-c2cccc(C)c2)C1	ZINC000091587118	206682785	/nfs/dbraw/zinc/68/27/85/206682785.db2.gz	RMXIVPHYFDJIDN-QHCPKHFHSA-N	-1	0	363.457	4.545	50	30		FJEARM
O=C([O-])C(=O)/C(=C\c1ccc(Cl)c(Cl)c1)c1ccc2ccccc2n1	ZINC000005660185	207110738	/nfs/dbraw/zinc/11/07/38/207110738.db2.gz	XNZXQBQYVWKNNE-LCYFTJDESA-N	-1	0	372.207	4.736	50	30		FJEARM
COc1ccc2ccccc2c1C=Nn1c(=S)[n-]nc1-c1cccc(C)c1	ZINC000006174182	207132318	/nfs/dbraw/zinc/13/23/18/207132318.db2.gz	RRKQQRIRWVIUFT-LPYMAVHISA-N	-1	0	374.469	4.960	50	30		FJEARM
O=C([O-])C(=O)/C(=C\c1ccc2ccccc2c1)c1ccc2ccccc2n1	ZINC000007587103	207199915	/nfs/dbraw/zinc/19/99/15/207199915.db2.gz	KIEFXTBYKXYMFI-RGEXLXHISA-N	-1	0	353.377	4.582	50	30		FJEARM
CCc1c2cc(C)ccc2oc1C(=O)/C=C/c1cc(OC)c(O)c(OC)c1	ZINC000007716393	207203112	/nfs/dbraw/zinc/20/31/12/207203112.db2.gz	GKJYEYRBYPZCKS-BQYQJAHWSA-N	-1	0	366.413	4.923	50	30		FJEARM
CC1=C(C)C(=O)C([C@H](CCCCCC(=O)[O-])c2ccccc2)=C(C)C1=O	ZINC000036190184	208149639	/nfs/dbraw/zinc/14/96/39/208149639.db2.gz	ZBVKEHDGYSLCCC-GOSISDBHSA-N	-1	0	354.446	4.610	50	30	world	FJEARM
CC1CCN(c2ccccc2/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1	ZINC000067321401	136137187	/nfs/dbraw/zinc/13/71/87/136137187.db2.gz	XQDYQSUCVIRHBO-CIAFOILYSA-N	-1	0	373.840	4.941	50	30		FJEARM
Cn1nc(C(F)(F)F)c(/C=N/[O-])c1SCc1ccc(C(C)(C)C)cc1	ZINC000100271500	222240508	/nfs/dbraw/zinc/24/05/08/222240508.db2.gz	GQCSTJAQCPXLSB-ZVBGSRNCSA-N	-1	0	371.428	4.837	50	30		FJEARM
CCCCCCCCCCCNC(=O)c1c([O-])c2ccccc2n(C)c1=O	ZINC000002056434	520014855	/nfs/dbraw/zinc/01/48/55/520014855.db2.gz	LWYBUTKZIJLHLC-UHFFFAOYSA-N	-1	0	372.509	4.505	50	30		FJEARM
COc1ccc(-c2n[n-]c(=S)n2N=Cc2cccc3ccccc23)cc1	ZINC000254387640	523177765	/nfs/dbraw/zinc/17/77/65/523177765.db2.gz	YPVOADOMHXQGSW-UHFFFAOYSA-N	-1	0	360.442	4.652	50	30		FJEARM
S=c1[n-]nc(COc2ccccc2)n1N=CC(Cl)=Cc1ccccc1	ZINC000006227983	526388079	/nfs/dbraw/zinc/38/80/79/526388079.db2.gz	BETBXBZZWDBHFR-JABDDIKQSA-N	-1	0	370.865	4.633	50	30		FJEARM
N#Cc1cc2c(nc1SCc1ccc(C(=O)[O-])cc1)CCCCCC2	ZINC000000663430	568063858	/nfs/dbraw/zinc/06/38/58/568063858.db2.gz	JAYXHWXPWFDLAB-UHFFFAOYSA-N	-1	0	352.459	4.603	50	30		FJEARM
O=C(C(C=Nc1ccccc1Cl)=C([O-])c1cccs1)C(F)(F)F	ZINC000100038592	570484612	/nfs/dbraw/zinc/48/46/12/570484612.db2.gz	DCDKKYFUSOZTJM-CMDGGOBGSA-N	-1	0	359.756	4.712	50	30		FJEARM
COc1ccc2ccccc2c1C=Nn1c(=S)[n-]nc1-c1ccccc1C	ZINC000002341724	570519205	/nfs/dbraw/zinc/51/92/05/570519205.db2.gz	WLAROEZKXNGUOQ-LPYMAVHISA-N	-1	0	374.469	4.960	50	30		FJEARM
Cc1ccc(-c2n[n-]c(=S)n2N=Cc2ccc(C(F)(F)F)cc2)cc1	ZINC000002335208	570519291	/nfs/dbraw/zinc/51/92/91/570519291.db2.gz	MZDHJNQUBNRBSS-UFFVCSGVSA-N	-1	0	362.380	4.817	50	30		FJEARM
COc1ccc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2[O-])c(OC)c1	ZINC000005100010	570584198	/nfs/dbraw/zinc/58/41/98/570584198.db2.gz	MRBNJDIFOAAKTG-GQCTYLIASA-N	-1	0	353.201	4.612	50	30		FJEARM
N#Cc1c(NC(=O)CC2(CC(=O)[O-])CCCCC2)sc2c1CCCCC2	ZINC000024151200	570612346	/nfs/dbraw/zinc/61/23/46/570612346.db2.gz	WAGIPMPNWJLQAJ-UHFFFAOYSA-N	-1	0	374.506	4.642	50	30		FJEARM
Cc1n[nH]c(C)c1Sc1ccccc1/N=C/c1cccc([N+](=O)[O-])c1[O-]	ZINC000004995943	570617104	/nfs/dbraw/zinc/61/71/04/570617104.db2.gz	KRDFUESGXAOFCA-VXLYETTFSA-N	-1	0	368.418	4.542	50	30		FJEARM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccccc1Oc1ccccc1	ZINC000102035156	570826616	/nfs/dbraw/zinc/82/66/16/570826616.db2.gz	QIYMCEJGZBQLKI-DARPEHSRSA-N	-1	0	370.412	4.670	50	30		FJEARM
CCCCCCCCCCCCNC(=O)c1cccc([O-])c1[N+](=O)[O-]	ZINC000104975967	570865689	/nfs/dbraw/zinc/86/56/89/570865689.db2.gz	VYBSJSACJVVYCO-UHFFFAOYSA-N	-1	0	350.459	4.951	50	30		FJEARM
N#Cc1c(=O)[n-]c(SCc2ccccc2)nc1-c1ccc(Cl)cc1	ZINC000001041075	571144337	/nfs/dbraw/zinc/14/43/37/571144337.db2.gz	WPPJMDWVCHULBK-UHFFFAOYSA-N	-1	0	353.834	4.667	50	30		FJEARM
C=C(C)Cc1c(C)nc(SCc2c(Cl)cccc2Cl)[nH]c1=O	ZINC000075260331	571158524	/nfs/dbraw/zinc/15/85/24/571158524.db2.gz	HPMGGKWVGWDUOT-UHFFFAOYSA-N	-1	0	355.290	4.796	50	30		FJEARM
CCOc1ccc(-c2n[n-]c(=S)n2N=Cc2ccccc2Cl)cc1	ZINC000005900455	571167831	/nfs/dbraw/zinc/16/78/31/571167831.db2.gz	KHGRYABMPVADRE-YBFXNURJSA-N	-1	0	358.854	4.542	50	30		FJEARM
Cc1ccc(/N=C/c2c3c(cc([N+](=O)[O-])c2[O-])oc2c3CCCC2)cc1	ZINC000001763152	571168452	/nfs/dbraw/zinc/16/84/52/571168452.db2.gz	KESZCDZXOCDJOE-SRZZPIQSSA-N	-1	0	350.374	4.984	50	30		FJEARM
O=[N+]([O-])C(=C([O-])c1ccccc1)[C@H](c1c[nH]c2ccccc21)c1ccccc1	ZINC000002303137	571317361	/nfs/dbraw/zinc/31/73/61/571317361.db2.gz	DIIAGCCUJQJDPE-FCHUYYIVSA-N	-1	0	370.408	4.828	50	30		FJEARM
N#CC(=C([O-])c1ccc(Br)s1)c1nc2ccccc2s1	ZINC000003164103	571345109	/nfs/dbraw/zinc/34/51/09/571345109.db2.gz	SVPZKYHDVXBLRK-MRVPVSSYSA-N	-1	0	363.261	4.610	50	30		FJEARM