smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCn1cc(-c2nnc3sc(=S)[n-]n32)c(=O)c2ccc(C)nc21	ZINC000072177266	203181937	/nfs/dbraw/zinc/18/19/37/203181937.db2.gz	QGXSQQXWEZGSCK-UHFFFAOYSA-N	-1	0	344.425	2.180	1	0		EEAFRM
COc1ccc(OC)c(-c2cn(-c3ccc(O)c(C(=O)[O-])c3)nn2)c1	ZINC000053242862	202655502	/nfs/dbraw/zinc/65/55/02/202655502.db2.gz	FSIPUUWCOXIITG-UHFFFAOYSA-N	-1	0	341.323	2.355	1	0		EEAFRM
Cc1ccc(S(=O)(=O)c2c([O-])c3ccccc3n(C)c2=O)cc1	ZINC000102981290	204057841	/nfs/dbraw/zinc/05/78/41/204057841.db2.gz	VVCWJCSCUGDPJB-UHFFFAOYSA-N	-1	0	329.377	2.385	1	0		EEAFRM
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(-n3cnc(C)c3)c(F)c21	ZINC000026260577	202140587	/nfs/dbraw/zinc/14/05/87/202140587.db2.gz	FHRGQBHBRAUGIO-UHFFFAOYSA-N	-1	0	333.294	2.492	1	0		EEAFRM
NS(=O)(=O)c1ccc(CSCc2ccc(C(=O)[O-])cc2)cc1	ZINC000027099501	202151224	/nfs/dbraw/zinc/15/12/24/202151224.db2.gz	WPMPCNMLUIZCFT-UHFFFAOYSA-N	-1	0	337.422	2.466	1	0		EEAFRM
O=C(/C=C/c1ccccc1)N[C@H](CC(=O)Nc1ccccc1)C(=O)[O-]	ZINC000045392259	202551593	/nfs/dbraw/zinc/55/15/93/202551593.db2.gz	JIICDBTUKQTVGF-LPQFERQCSA-N	-1	0	338.363	2.298	1	0		EEAFRM
Cn1nnc2c1ccc1c(=O)c(C(=O)[O-])cn(Cc3ccccc3)c21	ZINC000028704656	202175662	/nfs/dbraw/zinc/17/56/62/202175662.db2.gz	YWNXMTZFZKOOFJ-UHFFFAOYSA-N	-1	0	334.335	2.030	1	0		EEAFRM
Cc1cc(C)n2nc([N-]S(=O)(=O)c3ccc(Cl)cc3)nc2n1	ZINC000026021345	202137287	/nfs/dbraw/zinc/13/72/87/202137287.db2.gz	WJFBWEHPQJSDIM-UHFFFAOYSA-N	-1	0	337.792	2.195	1	0		EEAFRM
CCOC(=O)c1c(C)oc2cc(OC)c(OS(=O)(=O)[O-])cc21	ZINC000043061320	202506647	/nfs/dbraw/zinc/50/66/47/202506647.db2.gz	XASHOZCVRYUXIA-UHFFFAOYSA-N	-1	0	330.314	2.108	1	0		EEAFRM
O=C([N-]S(=O)(=O)[C@H]1CCCCC1=O)Nc1ccc(Cl)cc1	ZINC000103215806	204067994	/nfs/dbraw/zinc/06/79/94/204067994.db2.gz	CUADIWHLTSIECY-LBPRGKRZSA-N	-1	0	330.793	2.303	1	0		EEAFRM
CC[C@H](C)[C@@H]1C=C([C@@H](O)C[C@@H](O)[C@@H](O)C(=O)[O-])[C@H]([C@@H](C)CC)C1	ZINC000014858358	574413691	/nfs/dbraw/zinc/41/36/91/574413691.db2.gz	RKOUCPMGBBKLNK-IWABBCNJSA-N	-1	0	328.449	2.199	1	0	endogenous,in-man	EEAFRM
COc1ccc(CN2CC[C@@H]3C=CC[C@@H](C(=O)[O-])[C@@H]3C2=O)cc1OC	ZINC000013829864	201918076	/nfs/dbraw/zinc/91/80/76/201918076.db2.gz	DTZAJVAQVWFENG-JJRVBVJISA-N	-1	0	345.395	2.329	1	0		EEAFRM
NS(=O)(=O)c1ccc(-n2c(-c3ccccc3)n[n-]c2=S)cc1	ZINC000103269655	204070293	/nfs/dbraw/zinc/07/02/93/204070293.db2.gz	DRDFALFWDKGTMB-UHFFFAOYSA-N	-1	0	332.410	2.244	1	0		EEAFRM
Cc1cc(-n2ncc(=O)[n-]c2=O)ccc1C(=O)c1ccc(Cl)cc1	ZINC000025963987	202138291	/nfs/dbraw/zinc/13/82/91/202138291.db2.gz	KEZNSCMBVRNOHO-UHFFFAOYSA-N	-1	0	341.754	2.114	1	0		EEAFRM
C[C@H]1Cc2cc(N(C)N(C)C)c(F)cc2-c2cc(=O)c(C(=O)[O-])cn21	ZINC000049765533	214031768	/nfs/dbraw/zinc/03/17/68/214031768.db2.gz	GXVZHVVFOZZHPA-JTQLQIEISA-N	-1	0	345.374	2.383	1	0		EEAFRM
CN1[C@H](C(=O)[O-])CS[C@H]1c1csc(-c2ccc(N)cc2O)n1	ZINC000103234747	219273908	/nfs/dbraw/zinc/27/39/08/219273908.db2.gz	LRBYKLSFZOYSFO-GWCFXTLKSA-N	-1	0	337.426	2.228	1	0		EEAFRM
COc1cccc(N2[C@@H](CC(=O)[O-])c3ccccc3S2(=O)=O)c1	ZINC000012478986	211392128	/nfs/dbraw/zinc/39/21/28/211392128.db2.gz	WAIZZUKTAVMGNF-AWEZNQCLSA-N	-1	0	333.365	2.420	3	0		EEAFRM
CN1[C@H](C(=O)[O-])CS[C@@H]1c1csc(-c2ccc(O)cc2O)n1	ZINC000103234734	219273435	/nfs/dbraw/zinc/27/34/35/219273435.db2.gz	VNFKVBSUMZICBM-GXFFZTMASA-N	-1	0	338.410	2.352	1	0		EEAFRM
Cc1c(C(N)=O)sc2[n-]c(=S)n(Cc3ccccc3)c(=O)c12	ZINC000103004097	219247255	/nfs/dbraw/zinc/24/72/55/219247255.db2.gz	UXQJQCWVFKADFX-UHFFFAOYSA-N	-1	0	331.422	2.202	1	0		EEAFRM
CCOc1ccc(OCC)c(NC(=O)[C@H]2[C@@H](C(=O)[O-])[C@H]3C=C[C@@H]2O3)c1	ZINC000169293956	528568650	/nfs/dbraw/zinc/56/86/50/528568650.db2.gz	FYKKYJCPDCPXTN-JJXSEGSLSA-N	-1	0	347.367	2.077	1	0		EEAFRM
CN(c1ccccc1)S(=O)(=O)c1ccc2cc(C(=O)[O-])n(O)c2c1	ZINC000073169903	216360230	/nfs/dbraw/zinc/36/02/30/216360230.db2.gz	UECBZSJONLAMBN-UHFFFAOYSA-N	-1	0	346.364	2.402	1	0		EEAFRM
COC(=O)c1cc(=O)c2cc([S@@](=O)c3ccccc3)ccc2[n-]1	ZINC000169314552	533717355	/nfs/dbraw/zinc/71/73/55/533717355.db2.gz	RMYLZERLFYNFGU-QHCPKHFHSA-N	-1	0	327.361	2.481	1	0		EEAFRM
CCOCn1c(Cc2ccc(F)cc2)c(C(C)C)c(=O)n([O-])c1=O	ZINC000066103418	215011788	/nfs/dbraw/zinc/01/17/88/215011788.db2.gz	RQKFSLIATQHRSU-UHFFFAOYSA-N	-1	0	336.363	2.095	1	0		EEAFRM
O=C([O-])c1ccccc1NCN1C(=O)[C@@H]2CC(Cl)=CC[C@@H]2C1=O	ZINC000100082666	304270584	/nfs/dbraw/zinc/27/05/84/304270584.db2.gz	TWRXIBCJDHRIIO-CMPLNLGQSA-N	-1	0	334.759	2.272	3	0		EEAFRM
Nn1c(S[C@@H](C(=O)[O-])c2ccccc2)nc2ccccc2c1=O	ZINC000040864085	213394585	/nfs/dbraw/zinc/39/45/85/213394585.db2.gz	LWJZDIUAYDTSCM-CYBMUJFWSA-N	-1	0	327.365	2.028	1	0		EEAFRM
O=C([O-])CCC(=O)N1CCC(c2nc(-c3cccs3)no2)CC1	ZINC000001502834	209754900	/nfs/dbraw/zinc/75/49/00/209754900.db2.gz	DVWZPNUPHODCNV-UHFFFAOYSA-N	-1	0	335.385	2.369	1	0		EEAFRM
Cc1onc2c1c(-c1ccc(Cl)cc1)nn(CCC(=O)[O-])c2=O	ZINC000013797618	211641144	/nfs/dbraw/zinc/64/11/44/211641144.db2.gz	DVNGOELGUHQMGN-UHFFFAOYSA-N	-1	0	333.731	2.488	1	0		EEAFRM
CC[C@@H](C)[C@H]1C=C([C@@H](O)C[C@@H](O)[C@@H](O)C(=O)[O-])[C@H]([C@@H](C)CC)C1	ZINC000014858355	574413690	/nfs/dbraw/zinc/41/36/90/574413690.db2.gz	RKOUCPMGBBKLNK-KYALSADBSA-N	-1	0	328.449	2.199	1	0	endogenous,in-man	EEAFRM
O=c1oc2ccccc2c([O-])c1C[C@H]1C(=O)Oc2ccccc2[C@@H]1O	ZINC000103579759	290973336	/nfs/dbraw/zinc/97/33/36/290973336.db2.gz	VTMRYFQHHNZEHS-WBMJQRKESA-N	-1	0	338.315	2.310	1	0	biogenic,in-vitro	EEAFRM
CC[C@@H](C)[C@@H]1C=C([C@@H](O)C[C@@H](O)[C@@H](O)C(=O)[O-])[C@H]([C@@H](C)CC)C1	ZINC000014858357	574413694	/nfs/dbraw/zinc/41/36/94/574413694.db2.gz	RKOUCPMGBBKLNK-KGBVHWMISA-N	-1	0	328.449	2.199	1	0	endogenous,in-man	EEAFRM
C[C@@H](NC(=O)c1cnc2cc(C(F)(F)F)ccc2c1O)C(=O)[O-]	ZINC000103185643	219266646	/nfs/dbraw/zinc/26/66/46/219266646.db2.gz	WVFGUOMJWGSMCY-ZCFIWIBFSA-N	-1	0	328.246	2.162	1	0		EEAFRM
Cc1cc(F)ccc1NCc1cc(C(=O)[O-])cc(N2CC[C@@H](O)C2)n1	ZINC000040405086	213299133	/nfs/dbraw/zinc/29/91/33/213299133.db2.gz	MQOQRZFCMHSVRA-OAHLLOKOSA-N	-1	0	345.374	2.410	1	0		EEAFRM
O=C([O-])[C@H](Cc1ccccc1)NC=C1N=C(c2ccccc2)OC1=O	ZINC000034172181	212975546	/nfs/dbraw/zinc/97/55/46/212975546.db2.gz	CKOCGKUJIGEMGI-DLEKYWELSA-N	-1	0	336.347	2.117	1	0		EEAFRM
CCc1cc(=O)oc2nc(OCc3ccc(OC)cc3)[n-]c(=O)c12	ZINC000073157363	216358735	/nfs/dbraw/zinc/35/87/35/216358735.db2.gz	ICSWXBAKFFYUCU-UHFFFAOYSA-N	-1	0	328.324	2.026	1	0		EEAFRM
Nc1nc(C[C@@H](O)c2ccc(Cl)cc2)c(Br)c(=O)[n-]1	ZINC000096914683	218898236	/nfs/dbraw/zinc/89/82/36/218898236.db2.gz	OHERLKWBOVKZCV-SECBINFHSA-N	-1	0	344.596	2.044	1	0		EEAFRM
O=C(NC1CCCCC1)C1=C([O-])[C@@H](CCc2ccccc2)NC1=O	ZINC000101435502	219127675	/nfs/dbraw/zinc/12/76/75/219127675.db2.gz	JKFKNCPODFBXRV-OAHLLOKOSA-N	-1	0	328.412	2.379	1	0		EEAFRM
O=C([N-]S(=O)(=O)[C@@H]1CCCCC1=O)Nc1ccc(Cl)cc1	ZINC000103215804	219271388	/nfs/dbraw/zinc/27/13/88/219271388.db2.gz	CUADIWHLTSIECY-GFCCVEGCSA-N	-1	0	330.793	2.303	1	0		EEAFRM
O=C([O-])COc1ccc(Br)cc1C(=O)c1ccno1	ZINC000036127019	213070899	/nfs/dbraw/zinc/07/08/99/213070899.db2.gz	ITWPZOSVLCTNIX-UHFFFAOYSA-N	-1	0	326.102	2.132	1	0		EEAFRM
CCCCCS(=O)(=O)NC[C@H]1Cc2ccc(CC(=O)[O-])cc2C1	ZINC000027329339	212553614	/nfs/dbraw/zinc/55/36/14/212553614.db2.gz	AAXFWSSVYINXCB-AWEZNQCLSA-N	-1	0	339.457	2.138	1	0		EEAFRM
O=c1oc2cc(-c3ccccc3)cnc2n1CCC[P@](=O)([O-])O	ZINC000072180839	216066465	/nfs/dbraw/zinc/06/64/65/216066465.db2.gz	QVBJOGYKGJQONT-UHFFFAOYSA-N	-1	0	334.268	2.224	1	0		EEAFRM
CCOC(=O)[C@@H]1Cc2ccccc2N1C(=O)[C@H](C)C[C@@H](C)C(=O)[O-]	ZINC000028264183	212611531	/nfs/dbraw/zinc/61/15/31/212611531.db2.gz	FYGXHTCBEFEFEV-JMSVASOKSA-N	-1	0	333.384	2.254	1	0		EEAFRM
O=c1oc2ccccc2c([O-])c1C[C@@H]1C(=O)Oc2ccccc2[C@H]1O	ZINC000026501584	212523251	/nfs/dbraw/zinc/52/32/51/212523251.db2.gz	OCFKRQNGSJRUCD-BLLLJJGKSA-N	-1	0	338.315	2.310	1	0		EEAFRM
CN1[C@H](C(=O)[O-])CS[C@H]1c1csc(-c2cc(N)ccc2O)n1	ZINC000103234753	219273135	/nfs/dbraw/zinc/27/31/35/219273135.db2.gz	LDJIJQFNXQGBBP-GWCFXTLKSA-N	-1	0	337.426	2.228	1	0		EEAFRM
O=C(NCc1ccc(F)c(Cl)c1)c1c(=O)[nH]c2ncccc2c1[O-]	ZINC000103253105	219277213	/nfs/dbraw/zinc/27/72/13/219277213.db2.gz	MNUQMXPJCQIOKT-UHFFFAOYSA-N	-1	0	347.733	2.351	1	0		EEAFRM
C[C@H](Sc1nc2sc(-c3ccccc3)cc2c(=O)n1N)C(=O)[O-]	ZINC000040861917	213394972	/nfs/dbraw/zinc/39/49/72/213394972.db2.gz	WXWWNNXDHNGEMA-QMMMGPOBSA-N	-1	0	347.421	2.404	1	0		EEAFRM
O=C([O-])c1ccccc1NCN1C(=O)[C@@H]2CC=C(Cl)C[C@H]2C1=O	ZINC000018061326	304270688	/nfs/dbraw/zinc/27/06/88/304270688.db2.gz	TWRXIBCJDHRIIO-ZYHUDNBSSA-N	-1	0	334.759	2.272	3	0		EEAFRM
COc1ccc(COc2ccc(C[C@H](NC(C)=O)C(=O)[O-])cc2)cc1	ZINC000028708279	202175394	/nfs/dbraw/zinc/17/53/94/202175394.db2.gz	AWGLKUBNJUSEKV-SFHVURJKSA-N	-1	0	343.379	2.406	1	0		EEAFRM
Cc1c(CC(=O)[O-])c2cccnc2n1S(=O)(=O)c1ccccc1	ZINC000035839687	202310869	/nfs/dbraw/zinc/31/08/69/202310869.db2.gz	WRZHSLYKMRBSTN-UHFFFAOYSA-N	-1	0	330.365	2.209	1	0		EEAFRM
COC[C@@H](C)N=C1NN=C(c2cccs2)[C@@H](CC(=O)[O-])S1	ZINC000006176206	201674978	/nfs/dbraw/zinc/67/49/78/201674978.db2.gz	IGGQZDGYZHCHEV-PSASIEDQSA-N	-1	0	327.431	2.023	3	0		EEAFRM
Cn1nc(-c2ccc(C(N)=O)c([O-])c2)s/c1=N\C1CCCCC1	ZINC000028374039	202170742	/nfs/dbraw/zinc/17/07/42/202170742.db2.gz	COFGHUOJFZGYFU-VLGSPTGOSA-N	-1	0	332.429	2.187	1	0		EEAFRM
O=C([O-])[C@@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)Nc1ccc(Br)cc1	ZINC000071340275	203093705	/nfs/dbraw/zinc/09/37/05/203093705.db2.gz	DYEOESDSRHAVAX-WRWGMCAJSA-N	-1	0	340.173	2.266	1	0		EEAFRM
CC1(C)Oc2cc(C(=O)[O-])sc2[C@@H](N2CCCCC2=O)[C@@H]1O	ZINC000027517795	202155819	/nfs/dbraw/zinc/15/58/19/202155819.db2.gz	MGICKKKDJPPGHD-YPMHNXCESA-N	-1	0	325.386	2.032	1	0		EEAFRM
O=C([O-])[C@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)NCc1ccc(C(F)(F)F)cc1	ZINC000028864020	212641062	/nfs/dbraw/zinc/64/10/62/212641062.db2.gz	HPAKCEYAQQECIE-RNJOBUHISA-N	-1	0	343.301	2.200	1	0		EEAFRM
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NCc1ccc(C(F)(F)F)cc1	ZINC000064512445	202814629	/nfs/dbraw/zinc/81/46/29/202814629.db2.gz	HPAKCEYAQQECIE-XQHKEYJVSA-N	-1	0	343.301	2.200	1	0		EEAFRM
CCC(CC)C(=O)Nc1cc(NC(C)=O)c(N)cc1OCC(=O)[O-]	ZINC000103253693	204068451	/nfs/dbraw/zinc/06/84/51/204068451.db2.gz	RTNRMSQRRDSPTN-UHFFFAOYSA-N	-1	0	337.376	2.065	1	0		EEAFRM
O=S(=O)([N-]C(F)(F)F)N[C@H]1[C@@H]2CC[C@H]1Cc1ccccc1C2	ZINC000101028298	219114380	/nfs/dbraw/zinc/11/43/80/219114380.db2.gz	GGRCSBNLFLDXPJ-ITGUQSILSA-N	-1	0	334.363	2.124	1	0		EEAFRM
CN1C(=O)c2cc(OCCCC(=O)[O-])c(Cl)c(Cl)c2C1=O	ZINC000029483205	202188460	/nfs/dbraw/zinc/18/84/60/202188460.db2.gz	BNOONOJNPXRECE-UHFFFAOYSA-N	-1	0	332.139	2.463	1	0		EEAFRM
CCOc1ccc(OCC)c(NC(=O)[C@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)[O-])c1	ZINC000004187973	201593254	/nfs/dbraw/zinc/59/32/54/201593254.db2.gz	FYKKYJCPDCPXTN-UGUYLWEFSA-N	-1	0	347.367	2.077	1	0		EEAFRM
COc1ccc(-c2ccc3c(c2)c(=O)c(C(=O)[O-])cn3CCO)cc1	ZINC000084710576	203536947	/nfs/dbraw/zinc/53/69/47/203536947.db2.gz	ZLPCZAGTYOYPTI-UHFFFAOYSA-N	-1	0	339.347	2.368	1	0		EEAFRM
O=C([O-])[C@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)Nc1ccccc1C(F)(F)F	ZINC000013147226	207359550	/nfs/dbraw/zinc/35/95/50/207359550.db2.gz	HEQCVKVKKBIQIR-USZNOCQGSA-N	-1	0	327.258	2.298	1	0		EEAFRM
Cc1ccc(S(=O)(=O)[N-]c2cncc(C(=O)NC3CC3)c2)cc1	ZINC000021639029	202067635	/nfs/dbraw/zinc/06/76/35/202067635.db2.gz	BKNZOWWLAISEHP-UHFFFAOYSA-N	-1	0	331.397	2.083	1	0		EEAFRM
C[C@H]1CC[C@@H](C(=O)Nc2ccccc2)c2ncc(C(=O)[O-])c(=O)n21	ZINC000029316486	202184453	/nfs/dbraw/zinc/18/44/53/202184453.db2.gz	RPUQTYUJSOISJL-CMPLNLGQSA-N	-1	0	327.340	2.019	1	0		EEAFRM
O=C([O-])C1=CS[C@@H]2/C(=C\c3cc4oc5c(n4n3)CCCC5)C(=O)N12	ZINC000029130347	202181906	/nfs/dbraw/zinc/18/19/06/202181906.db2.gz	WBVGDYUBKRMKNU-HMZQOCAUSA-N	-1	0	343.364	2.031	1	0		EEAFRM
COc1ccccc1OC[C@H]1SCCN1C(=O)C(C)(C)C(=O)[O-]	ZINC000027562511	201386885	/nfs/dbraw/zinc/38/68/85/201386885.db2.gz	ZAXOTPWRDKTQQT-CYBMUJFWSA-N	-1	0	339.413	2.086	1	0		EEAFRM
O=C([O-])c1cn(C2CC2)c2c(F)c(N3CCC(=O)C3)c(F)cc2c1=O	ZINC000029202876	202183532	/nfs/dbraw/zinc/18/35/32/202183532.db2.gz	JCZFJMCPHAQILF-UHFFFAOYSA-N	-1	0	348.305	2.092	1	0		EEAFRM
C[C@@H]1CC[C@H](C(=O)Nc2ccccc2)c2ncc(C(=O)[O-])c(=O)n21	ZINC000029316491	202184113	/nfs/dbraw/zinc/18/41/13/202184113.db2.gz	RPUQTYUJSOISJL-PWSUYJOCSA-N	-1	0	327.340	2.019	1	0		EEAFRM
Nc1n[n-]c2nc3nc4c(c(-c5ccccc5)c3c(=O)n12)CCCC4	ZINC000029057386	202180524	/nfs/dbraw/zinc/18/05/24/202180524.db2.gz	SZUBSDVBTLJVGF-UHFFFAOYSA-N	-1	0	332.367	2.094	1	0		EEAFRM
CCNC(=O)c1noc(-c2cc(Cl)c([O-])cc2O)c1NC(C)=O	ZINC000073222900	203261198	/nfs/dbraw/zinc/26/11/98/203261198.db2.gz	WEAJPAPZLYQPRZ-UHFFFAOYSA-N	-1	0	339.735	2.114	1	0		EEAFRM
CCCCC[C@@H](O)CCCN(CCCCC(=O)[O-])S(C)(=O)=O	ZINC000043076442	213557526	/nfs/dbraw/zinc/55/75/26/213557526.db2.gz	VRTKPBQFJXUKIN-CQSZACIVSA-N	-1	0	337.482	2.224	1	0		EEAFRM
C[C@H]1C(C(N)=O)=C2C(OCC(=O)[O-])=CC=CN2/C1=C\c1ccccc1	ZINC000040701127	213371666	/nfs/dbraw/zinc/37/16/66/213371666.db2.gz	CBYRULZDLPFYPK-XTCQQWIJSA-N	-1	0	338.363	2.231	1	0		EEAFRM
O=C([O-])c1cc(=O)c2c(I)cc(Cl)cc2[nH]1	ZINC000000025328	208550591	/nfs/dbraw/zinc/55/05/91/208550591.db2.gz	YXXRRQFCBIAGLD-UHFFFAOYSA-N	-1	0	349.511	2.484	1	0		EEAFRM
O=C([O-])C1N=C(c2cccc(OCc3ccccc3)c2)NC(=O)C1=O	ZINC000003583604	210058219	/nfs/dbraw/zinc/05/82/19/210058219.db2.gz	IHENRRNKCCTTGR-UHFFFAOYSA-N	-1	0	338.319	2.420	1	0		EEAFRM
CS(=O)(=O)c1c([O-])n(Cc2ccccc2)c(=O)c2ccccc21	ZINC000040641286	213362497	/nfs/dbraw/zinc/36/24/97/213362497.db2.gz	WUXKYSJTGCJPIU-UHFFFAOYSA-N	-1	0	329.377	2.159	1	0		EEAFRM
CC[C@H](C)[C@H]1C=C([C@@H](O)C[C@@H](O)[C@@H](O)C(=O)[O-])[C@H]([C@@H](C)CC)C1	ZINC000014858356	574413688	/nfs/dbraw/zinc/41/36/88/574413688.db2.gz	RKOUCPMGBBKLNK-BKWNQFIZSA-N	-1	0	328.449	2.199	1	0	endogenous,in-man	EEAFRM
O=C([N-]OCc1ccccc1)C(=O)NC12CC3CC(CC(C3)C1)C2	ZINC000103236023	219273880	/nfs/dbraw/zinc/27/38/80/219273880.db2.gz	XKWVXBLZYCTTCW-UHFFFAOYSA-N	-1	0	328.412	2.319	1	0		EEAFRM
Cc1n[nH]c(C)c1S(=O)(=O)N(c1ccc(C)cc1)[C@@H](C)C(=O)[O-]	ZINC000002928384	209941621	/nfs/dbraw/zinc/94/16/21/209941621.db2.gz	BBGXIIXLBAVXLO-LBPRGKRZSA-N	-1	0	337.401	2.003	3	0		EEAFRM
COC(=O)c1c([O-])c2nc(Cc3ccc(F)cc3)sc2n(C)c1=O	ZINC000035010307	213003150	/nfs/dbraw/zinc/00/31/50/213003150.db2.gz	QDXIWCZVHNPRDO-UHFFFAOYSA-N	-1	0	348.355	2.217	1	0		EEAFRM
CCC(=O)SC[C@H](CO[P@@](=O)([O-])OC)SC(=O)CC	ZINC000027408664	519084316	/nfs/dbraw/zinc/08/43/16/519084316.db2.gz	SDZONHYSDPITNX-QMMMGPOBSA-N	-1	0	330.364	2.458	1	0		EEAFRM
COc1cc([C@H]2COc3cc(O)cc(OC)c3C2=O)cc(O)c1OC	ZINC000059586909	560082838	/nfs/dbraw/zinc/08/28/38/560082838.db2.gz	XZKNUXAOKJLBNL-LLVKDONJSA-N	-1	0	346.335	2.483	1	0	biogenic,in-vitro	EEAFRM
CC(C)CC(=O)O[C@@H](c1ccccc1)c1cc(O)c(C(=O)[O-])c(=O)[nH]1	ZINC000013369442	560215049	/nfs/dbraw/zinc/21/50/49/560215049.db2.gz	RQSUJBPFSUWQSA-INIZCTEOSA-N	-1	0	345.351	2.457	1	0	in-vitro	EEAFRM
O=c1cc(CCCC2(CO)CC2)c2c(=O)[n-]c(C(F)F)nc2o1	ZINC000066098700	215010464	/nfs/dbraw/zinc/01/04/64/215010464.db2.gz	MVKWHVDVWUXMAC-UHFFFAOYSA-N	-1	0	326.299	2.321	1	0		EEAFRM
COC(=O)c1c([O-])c2ncsc2n(Cc2ccc(OC)cc2)c1=O	ZINC000035010287	213003908	/nfs/dbraw/zinc/00/39/08/213003908.db2.gz	MWVNIZZJLUUMEE-UHFFFAOYSA-N	-1	0	346.364	2.007	1	0		EEAFRM
CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2ccccc2O)cc1)C(=O)[O-]	ZINC000028563355	212625134	/nfs/dbraw/zinc/62/51/34/212625134.db2.gz	CNOWBJGWCQRENI-MRXNPFEDSA-N	-1	0	349.408	2.447	1	0		EEAFRM
CCCCCS(=O)(=O)NC[C@@H]1Cc2ccc(CC(=O)[O-])cc2C1	ZINC000027329334	212553388	/nfs/dbraw/zinc/55/33/88/212553388.db2.gz	AAXFWSSVYINXCB-CQSZACIVSA-N	-1	0	339.457	2.138	1	0		EEAFRM
CCC(CC)Cc1cc(C(=O)[O-])ccc1N1C(=O)CCC1(CO)CO	ZINC000084671340	217629350	/nfs/dbraw/zinc/62/93/50/217629350.db2.gz	MUURHYZBGHJZCY-UHFFFAOYSA-N	-1	0	349.427	2.214	1	0		EEAFRM
COc1cc2c(cc1OCCCC(=O)[O-])N=C[C@@H]1CCCN1C2=O	ZINC000095585830	218441422	/nfs/dbraw/zinc/44/14/22/218441422.db2.gz	BKXJGWKMBNXSOB-NSHDSACASA-N	-1	0	332.356	2.259	1	0		EEAFRM
C[C@@H](C(=O)[O-])N1CCN(c2ccc(OCc3ccccn3)cc2)C1=O	ZINC000040875473	213396117	/nfs/dbraw/zinc/39/61/17/213396117.db2.gz	DKTVWMGMBQFELT-ZDUSSCGKSA-N	-1	0	341.367	2.376	1	0		EEAFRM
Cc1ccccc1C(=O)c1sc2[nH]c(=O)c(C(=O)[O-])cc2c1N	ZINC000028902824	212643262	/nfs/dbraw/zinc/64/32/62/212643262.db2.gz	PJDULNSHSZMERY-UHFFFAOYSA-N	-1	0	328.349	2.409	1	0		EEAFRM
O=C([O-])c1cn2c(n1)c(=O)[nH]c1c2[C@H](n2cccc2)c2ccccc2-1	ZINC000028225421	581102057	/nfs/dbraw/zinc/10/20/57/581102057.db2.gz	SEZGYYXXLBFPSQ-CQSZACIVSA-N	-1	0	332.319	2.140	1	0		EEAFRM
C[C@@H](Sc1nc2sc(-c3ccccc3)cc2c(=O)n1N)C(=O)[O-]	ZINC000040861919	213395314	/nfs/dbraw/zinc/39/53/14/213395314.db2.gz	WXWWNNXDHNGEMA-MRVPVSSYSA-N	-1	0	347.421	2.404	1	0		EEAFRM
CCOC(=O)c1c(C)oc2cc(OCC)c(OS(=O)(=O)[O-])cc21	ZINC000072107213	216009740	/nfs/dbraw/zinc/00/97/40/216009740.db2.gz	VJEJFNRPIVHICI-UHFFFAOYSA-N	-1	0	344.341	2.498	1	0		EEAFRM
CC(=O)[C@@H]1[C@@H](O)C(=O)N(c2ccc(C(=O)[O-])cc2)[C@H]1c1ccccc1	ZINC000102239964	219191981	/nfs/dbraw/zinc/19/19/81/219191981.db2.gz	CBTBGCPAOMXRGA-YESZJQIVSA-N	-1	0	339.347	2.039	1	0		EEAFRM
O=C([O-])Cc1ccc2c(c1)C[C@@H](CNS(=O)(=O)c1ccccc1)C2	ZINC000027325479	212553337	/nfs/dbraw/zinc/55/33/37/212553337.db2.gz	IOVKLLOBQBHETL-AWEZNQCLSA-N	-1	0	345.420	2.007	1	0		EEAFRM
O=C([O-])[C@@H]1/C(=C\c2ccc(O)cc2)C(=O)O[C@H]1c1ccc(O)cc1	ZINC000013385271	211552896	/nfs/dbraw/zinc/55/28/96/211552896.db2.gz	VCGDDWQSRJLRHG-MMJTVPDGSA-N	-1	0	326.304	2.480	1	0		EEAFRM
COc1cc(/C=C(/C(=O)[O-])c2ccc(S(C)(=O)=O)cc2)ccc1O	ZINC000066079594	215007413	/nfs/dbraw/zinc/00/74/13/215007413.db2.gz	ZJZIUVHNFBMOLK-NTEUORMPSA-N	-1	0	348.376	2.430	1	0		EEAFRM
O=C([O-])c1ccccc1NCN1C(=O)[C@H]2CC=C(Cl)C[C@@H]2C1=O	ZINC000100082661	304270667	/nfs/dbraw/zinc/27/06/67/304270667.db2.gz	TWRXIBCJDHRIIO-JQWIXIFHSA-N	-1	0	334.759	2.272	3	0		EEAFRM
CCOC(=O)[C@@H]1C([O-])=C(C(C)=O)C(=O)C[C@@H]1C[C@@H](C)SCC	ZINC000101838652	219166943	/nfs/dbraw/zinc/16/69/43/219166943.db2.gz	RTYSMJMWAJSKON-OJDJGZDQSA-N	-1	0	328.430	2.061	1	0		EEAFRM
CC(=O)C(=O)N(c1ccccc1CCO)c1ccccc1C(=O)[O-]	ZINC000103222612	219271475	/nfs/dbraw/zinc/27/14/75/219271475.db2.gz	WXJOVHATLDUILX-UHFFFAOYSA-N	-1	0	327.336	2.173	1	0		EEAFRM
O=C([O-])CCc1sc(/C=C2\NC(=O)CS2)nc1-c1ccccn1	ZINC000095601814	218444725	/nfs/dbraw/zinc/44/47/25/218444725.db2.gz	FXCKSJPZDBQRLO-KPKJPENVSA-N	-1	0	347.421	2.384	1	0		EEAFRM
CCOC(=O)c1c(C)oc2cc(OS(=O)(=O)[O-])c(OC)cc21	ZINC000043062185	213556238	/nfs/dbraw/zinc/55/62/38/213556238.db2.gz	YYHONBZLXFFDAS-UHFFFAOYSA-N	-1	0	330.314	2.108	1	0		EEAFRM
Nc1ncnc2c1nc(CCC[P@@H](=O)[O-])n2CCc1ccccc1	ZINC000040413582	213300549	/nfs/dbraw/zinc/30/05/49/213300549.db2.gz	NREKJTAKWARKTP-UHFFFAOYSA-N	-1	0	345.343	2.051	1	0		EEAFRM
COCc1cc(CN(C)[C@@H](C(=O)[O-])c2cc(C)c(OC)c(C)c2)[nH]n1	ZINC000055211547	214289407	/nfs/dbraw/zinc/28/94/07/214289407.db2.gz	XGIXNVAHZHFPHU-MRXNPFEDSA-N	-1	0	347.415	2.439	1	0		EEAFRM
Nn1c(S[C@H](C(=O)[O-])c2ccccc2)nc2ccsc2c1=O	ZINC000040834737	213391001	/nfs/dbraw/zinc/39/10/01/213391001.db2.gz	TWUCSUSGLHYVFG-JTQLQIEISA-N	-1	0	333.394	2.090	1	0		EEAFRM
O=S(=O)([N-]c1nnc(CO)s1)c1ccc(-c2ccccc2)cc1	ZINC000066065948	215005678	/nfs/dbraw/zinc/00/56/78/215005678.db2.gz	QDHJOKPUXZVKLP-UHFFFAOYSA-N	-1	0	347.421	2.498	1	0		EEAFRM
O=C([O-])c1cc(=O)c2ccc(S(=O)(=O)c3ccccc3)cc2[nH]1	ZINC000169314529	534541412	/nfs/dbraw/zinc/54/14/12/534541412.db2.gz	BUAZBECRTLMBDR-UHFFFAOYSA-N	-1	0	329.333	2.059	1	0		EEAFRM
O=C([O-])[C@@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NCc1ccc(C(F)(F)F)cc1	ZINC000064512449	214789714	/nfs/dbraw/zinc/78/97/14/214789714.db2.gz	HPAKCEYAQQECIE-YVECIDJPSA-N	-1	0	343.301	2.200	1	0		EEAFRM
O=C([O-])Cn1cc([C@H]2NS(=O)(=O)c3ccccc32)c2ccccc21	ZINC000049089391	213986477	/nfs/dbraw/zinc/98/64/77/213986477.db2.gz	ZWIUKYWJOORMTG-KRWDZBQOSA-N	-1	0	342.376	2.107	1	0		EEAFRM
Cc1cccc(C(=O)[O-])c1O[C@H]1CC[C@H]2C[NH2+][C@H](C(=O)[O-])C[C@H]2C1	ZINC000096938811	218903963	/nfs/dbraw/zinc/90/39/63/218903963.db2.gz	MEKZNIKIYMMZAU-XFMPKHEZSA-N	-1	0	333.384	2.303	1	0		EEAFRM
CSCC[C@H](NC(=O)/C=C/C=C/c1ccc2c(c1)OCO2)C(=O)[O-]	ZINC000058599367	214598186	/nfs/dbraw/zinc/59/81/86/214598186.db2.gz	ZMEXGNFMQHLDST-WSHDBJAUSA-N	-1	0	349.408	2.307	1	0		EEAFRM
O=C([O-])c1nn(CC(=O)c2cc(F)ccc2F)c(=O)c2ccccc21	ZINC000003417918	210034428	/nfs/dbraw/zinc/03/44/28/210034428.db2.gz	KYVHWFKJXHBSQZ-UHFFFAOYSA-N	-1	0	344.273	2.256	3	0		EEAFRM
Cc1nccc(NC(=O)c2ccc(Br)cc2C(=O)[O-])n1	ZINC000103233793	219273292	/nfs/dbraw/zinc/27/32/92/219273292.db2.gz	XPTZYUYHLHWETQ-UHFFFAOYSA-N	-1	0	336.145	2.498	1	0		EEAFRM
Cc1c(C(=O)[O-])sc2[nH]c(=O)n(-c3ccc(Cl)cc3)c(=O)c12	ZINC000000423040	209585952	/nfs/dbraw/zinc/58/59/52/209585952.db2.gz	NFTBIOPIBBTSPQ-UHFFFAOYSA-N	-1	0	336.756	2.401	1	0		EEAFRM
COc1ccc(-n2cnc3c2ncnc3NC(C)(C)C(=O)[O-])cc1	ZINC000001858678	209801001	/nfs/dbraw/zinc/80/10/01/209801001.db2.gz	XSEFNDFMFFGKKF-UHFFFAOYSA-N	-1	0	327.344	2.099	1	0		EEAFRM
COc1ccc(CN2CC[C@@H]3C=CC[C@H](C(=O)[O-])[C@@H]3C2=O)cc1OC	ZINC000013829868	211646758	/nfs/dbraw/zinc/64/67/58/211646758.db2.gz	DTZAJVAQVWFENG-GRDNDAEWSA-N	-1	0	345.395	2.329	1	0		EEAFRM
Nn1c(S[C@@H](C(=O)[O-])c2ccccc2)nc2ccsc2c1=O	ZINC000040834739	213391474	/nfs/dbraw/zinc/39/14/74/213391474.db2.gz	TWUCSUSGLHYVFG-SNVBAGLBSA-N	-1	0	333.394	2.090	1	0		EEAFRM
COc1ccc(C(=O)c2cc(OC)c(OC)c(OC)c2O)c([O-])c1	ZINC000169307676	533355194	/nfs/dbraw/zinc/35/51/94/533355194.db2.gz	DMAIBFHCOKDKAS-UHFFFAOYSA-N	-1	0	334.324	2.363	1	0		EEAFRM
O=C([O-])[C@H](CCCCn1cnc2c1NC=NC[C@@H]2O)c1ccccc1	ZINC000013807339	201917074	/nfs/dbraw/zinc/91/70/74/201917074.db2.gz	HPKYTRFCSRXETB-CABCVRRESA-N	-1	0	342.399	2.409	1	0		EEAFRM
O=C([O-])CNc1cc(-c2nccnc2N2CCCC2)c2cc[nH]c2n1	ZINC000072126323	203165419	/nfs/dbraw/zinc/16/54/19/203165419.db2.gz	DSVMGJCRCYSHHT-UHFFFAOYSA-N	-1	0	338.371	2.117	1	0		EEAFRM
COc1ccc(C2=NN(CC(=O)[O-])C(=O)[C@@H]3CCCC[C@@H]23)cc1OC	ZINC000026508065	202145318	/nfs/dbraw/zinc/14/53/18/202145318.db2.gz	UVCNSYMHHFIGSV-CHWSQXEVSA-N	-1	0	346.383	2.141	1	0		EEAFRM
CCOC(=O)[C@H](C)C[C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C(=O)[O-]	ZINC000005650655	201362036	/nfs/dbraw/zinc/36/20/36/201362036.db2.gz	NVXFXLSOGLFXKQ-LALPHHSUSA-N	-1	0	333.384	2.254	1	0		EEAFRM
Cc1c(N2CCCO2)c(F)cn2c(=O)c(C(=O)[O-])cc(C3CC3)c12	ZINC000006520772	201683611	/nfs/dbraw/zinc/68/36/11/201683611.db2.gz	HXDSENNGNINECW-UHFFFAOYSA-N	-1	0	332.331	2.464	1	0		EEAFRM
COC(=O)Cc1cc([O-])cc2oc(-c3ccc(N)cc3)cc(=O)c12	ZINC000102990255	204057693	/nfs/dbraw/zinc/05/76/93/204057693.db2.gz	FQNJYXFYOCVFDM-UHFFFAOYSA-N	-1	0	325.320	2.463	1	0		EEAFRM
CS(=O)(=O)c1ccc(C(=O)c2ccc3n2CCC[C@H]3C(=O)[O-])cc1	ZINC000025988656	202137791	/nfs/dbraw/zinc/13/77/91/202137791.db2.gz	VGTNPOYXDZICHT-CYBMUJFWSA-N	-1	0	347.392	2.085	1	0		EEAFRM
Cn1c2scnc2c([O-])c(C(=O)NCc2ccc(Cl)cc2)c1=O	ZINC000035010321	202284011	/nfs/dbraw/zinc/28/40/11/202284011.db2.gz	BXQDKFFKMJSVKY-UHFFFAOYSA-N	-1	0	349.799	2.284	1	0		EEAFRM
O=C([O-])c1cn(C[C@H]2CCCN(c3ccc4ccccc4n3)C2)nn1	ZINC000071279050	203088475	/nfs/dbraw/zinc/08/84/75/203088475.db2.gz	SBQSMZPCPAJNJN-ZDUSSCGKSA-N	-1	0	337.383	2.441	1	0		EEAFRM
COc1cc(OC)nc([S@](=O)c2cccc(Cl)c2C(=O)[O-])n1	ZINC000103190216	204066124	/nfs/dbraw/zinc/06/61/24/204066124.db2.gz	WSPVSMQGRPVQRY-QFIPXVFZSA-N	-1	0	342.760	2.012	1	0		EEAFRM
O=C([O-])[C@@H]1Cc2cn(cn2)C/C=C/Cc2ccc(Cl)c(c2)C(=O)N1	ZINC000103260967	204070726	/nfs/dbraw/zinc/07/07/26/204070726.db2.gz	CRJZTXVLJWNQDW-YLSAJCSVSA-N	-1	0	345.786	2.075	1	0		EEAFRM
O=c1oc2ccccc2c([O-])c1C[C@H]1C(=O)Oc2ccccc2[C@H]1O	ZINC000026501580	202144552	/nfs/dbraw/zinc/14/45/52/202144552.db2.gz	OCFKRQNGSJRUCD-MLGOLLRUSA-N	-1	0	338.315	2.310	1	0		EEAFRM
CC(C)C[C@H](CO[P@](=O)([O-])[C@H]([NH3+])Cc1ccccc1)C(=O)[O-]	ZINC000029347615	202185359	/nfs/dbraw/zinc/18/53/59/202185359.db2.gz	PQHRQBCKQQETSH-KGLIPLIRSA-N	-1	0	329.333	2.463	1	0		EEAFRM
O=C([O-])c1cn(-c2nccs2)c2nc(N3CCCC3)ccc2c1=O	ZINC000026250919	202139767	/nfs/dbraw/zinc/13/97/67/202139767.db2.gz	DBOGWENJTHKNQG-UHFFFAOYSA-N	-1	0	342.380	2.141	1	0		EEAFRM
C/C=C/C[C@H](O)C(=O)[C@H](C)CCC[C@@]1(C)CO[C@@H](CC(=O)[O-])CO1	ZINC000027435894	202154701	/nfs/dbraw/zinc/15/47/01/202154701.db2.gz	AHOVOJJBJRQBJK-INWGSFNLSA-N	-1	0	342.432	2.338	1	0		EEAFRM
COc1cccc(-c2cc(Cl)cc(C(=O)Nc3nnn[n-]3)n2)c1	ZINC000029319061	202183912	/nfs/dbraw/zinc/18/39/12/202183912.db2.gz	PKZNXYVACSJQOB-UHFFFAOYSA-N	-1	0	330.735	2.176	1	0		EEAFRM
C[C@H](C(=O)[O-])N1CCN(c2ccc(OCc3ccccn3)cc2)C1=O	ZINC000040875475	202466360	/nfs/dbraw/zinc/46/63/60/202466360.db2.gz	DKTVWMGMBQFELT-CYBMUJFWSA-N	-1	0	341.367	2.376	1	0		EEAFRM
CSCC[C@@H](C(=O)[O-])N1C(=O)[C@@H]2Cc3ccccc3CN2C1(C)C	ZINC000066058914	202875664	/nfs/dbraw/zinc/87/56/64/202875664.db2.gz	FAWUUWUKRRDXON-GJZGRUSLSA-N	-1	0	348.468	2.198	1	0		EEAFRM
O=C([O-])[C@@H]1[C@H]2C=C[C@]3(CN(c4cccc(C(F)(F)F)c4)C(=O)[C@@H]13)O2	ZINC000006576873	304160259	/nfs/dbraw/zinc/16/02/59/304160259.db2.gz	LAAHNNVDJMNWOR-RTWAVKEYSA-N	-1	0	339.269	2.076	1	0		EEAFRM
[NH3+][C@@](CCc1ccc(Cl)c(Cl)c1)(C(=O)[O-])[C@@H]1C[C@@H]1C(=O)[O-]	ZINC000027205870	202152907	/nfs/dbraw/zinc/15/29/07/202152907.db2.gz	UOELDAGVWFOBTF-ATEUNZGCSA-N	-1	0	332.183	2.429	1	0		EEAFRM
CCOC(=O)Cn1cnc2c1nc(=O)[n-]c2SCc1ccccc1	ZINC000028111127	201388405	/nfs/dbraw/zinc/38/84/05/201388405.db2.gz	HKRQQJPFDYSNQJ-UHFFFAOYSA-N	-1	0	344.396	2.387	1	0		EEAFRM
O=C([O-])C[C@H]1SC2=NCCCN2[C@]1(O)c1ccc(Cl)cc1	ZINC000169332274	206552192	/nfs/dbraw/zinc/55/21/92/206552192.db2.gz	ZSUCTQUJRLBAJE-RISCZKNCSA-N	-1	0	326.805	2.137	1	0		EEAFRM
O=C([O-])C[C@H]1COCCN1C(=O)C1(c2ccc(Cl)cc2)CCC1	ZINC000072153393	216042275	/nfs/dbraw/zinc/04/22/75/216042275.db2.gz	BUVCBMUNZITQCL-AWEZNQCLSA-N	-1	0	337.803	2.464	1	0		EEAFRM
CC[C@@H](C)[C@@H]1C=C([C@H](O)C[C@H](O)[C@H](O)C(=O)[O-])[C@H]([C@H](C)CC)C1	ZINC000095909696	560059491	/nfs/dbraw/zinc/05/94/91/560059491.db2.gz	RKOUCPMGBBKLNK-XUFPZOPOSA-N	-1	0	328.449	2.199	1	0	biogenic,in-vitro	EEAFRM
Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)C(=O)Nc1ccc(F)cc1	ZINC000101691056	219157322	/nfs/dbraw/zinc/15/73/22/219157322.db2.gz	HJHDSPBGWYGUTN-HNNXBMFYSA-N	-1	0	339.326	2.372	3	0		EEAFRM
COCc1cc(CN(C)[C@H](C(=O)[O-])c2cc(C)c(OC)c(C)c2)[nH]n1	ZINC000055211546	214289665	/nfs/dbraw/zinc/28/96/65/214289665.db2.gz	XGIXNVAHZHFPHU-INIZCTEOSA-N	-1	0	347.415	2.439	1	0		EEAFRM
Cc1nnc(SCc2cc(=O)n(-c3nc(C)cc(C)n3)[n-]2)s1	ZINC000102806530	219232219	/nfs/dbraw/zinc/23/22/19/219232219.db2.gz	INWMOOAYCLOPJH-UHFFFAOYSA-N	-1	0	334.430	2.025	1	0		EEAFRM
N[S@](=O)Oc1cc(C(=O)[O-])c(NCc2ccco2)cc1Cl	ZINC000004475230	210196214	/nfs/dbraw/zinc/19/62/14/210196214.db2.gz	PJALBCRHHXTHAF-NRFANRHFSA-N	-1	0	330.749	2.160	1	0		EEAFRM
CN1[C@H](C(=O)[O-])CS[C@@H]1c1csc(-c2cc(N)ccc2O)n1	ZINC000103234750	219273332	/nfs/dbraw/zinc/27/33/32/219273332.db2.gz	LDJIJQFNXQGBBP-GXFFZTMASA-N	-1	0	337.426	2.228	1	0		EEAFRM
C[C@@H](Cc1nc2c(ncnc2N)n1CCc1ccccc1)[P@@H](=O)[O-]	ZINC000040829489	213391415	/nfs/dbraw/zinc/39/14/15/213391415.db2.gz	OLGNXXZFJVJGNG-NSHDSACASA-N	-1	0	345.343	2.049	1	0		EEAFRM
CCCCNC(=O)[C@@H](CCC(=O)[O-])NC(=O)c1cccc(Cl)c1	ZINC000013447191	211559842	/nfs/dbraw/zinc/55/98/42/211559842.db2.gz	PUSOJHCLXKMHFR-CYBMUJFWSA-N	-1	0	340.807	2.220	1	0		EEAFRM
O=c1c(O)c(-c2ccc(O)cc2)oc2cc([O-])cc(OCCCO)c12	ZINC000085569509	560069924	/nfs/dbraw/zinc/06/99/24/560069924.db2.gz	HYIXXWOTJDKNQH-UHFFFAOYSA-N	-1	0	344.319	2.338	1	0	biogenic,in-vitro	EEAFRM
O=C(Nc1ccc2c(c1)C(=O)C(=O)[N-]C2=O)c1ccccc1Cl	ZINC000013683170	211608921	/nfs/dbraw/zinc/60/89/21/211608921.db2.gz	WHJYGQWOLDOZBU-UHFFFAOYSA-N	-1	0	328.711	2.045	1	0		EEAFRM
CN1C([O-])=C(C(=O)Nc2ccccc2)c2ccccc2S1(=O)=O	ZINC000100998212	219113346	/nfs/dbraw/zinc/11/33/46/219113346.db2.gz	FNTBFGQGDVXJSX-UHFFFAOYSA-N	-1	0	330.365	2.186	1	0		EEAFRM
C[C@H](NC(=O)c1cnc2cc(C(F)(F)F)ccc2c1O)C(=O)[O-]	ZINC000103185632	219266702	/nfs/dbraw/zinc/26/67/02/219266702.db2.gz	WVFGUOMJWGSMCY-LURJTMIESA-N	-1	0	328.246	2.162	1	0		EEAFRM
C[C@H](Cc1nc2c(ncnc2N)n1CCc1ccccc1)[P@@H](=O)[O-]	ZINC000040829491	213391079	/nfs/dbraw/zinc/39/10/79/213391079.db2.gz	OLGNXXZFJVJGNG-LLVKDONJSA-N	-1	0	345.343	2.049	1	0		EEAFRM
O=C([O-])CNC(=O)c1cn2cc(-c3ccc(Cl)cc3)ccc2n1	ZINC000040584391	213353603	/nfs/dbraw/zinc/35/36/03/213353603.db2.gz	QIFUPBCEXIGQPL-UHFFFAOYSA-N	-1	0	329.743	2.469	1	0		EEAFRM
O=C([O-])c1nn(CC(=O)c2ccc(F)cc2)c(=O)c2ccccc21	ZINC000003618705	210067991	/nfs/dbraw/zinc/06/79/91/210067991.db2.gz	PHTICSATNQRCFZ-UHFFFAOYSA-N	-1	0	326.283	2.117	1	0		EEAFRM
COc1ccc(-n2nc(C(=O)[O-])c3ccccc3c2=O)c(OC)c1	ZINC000000109884	209426057	/nfs/dbraw/zinc/42/60/57/209426057.db2.gz	HHUOJAWFHQWMGG-UHFFFAOYSA-N	-1	0	326.308	2.101	3	0		EEAFRM
O=C(Nc1cccc2c1C(=O)C(=O)[N-]C2=O)c1ccccc1Cl	ZINC000013683155	211608846	/nfs/dbraw/zinc/60/88/46/211608846.db2.gz	CKKFQWOWQVJSIP-UHFFFAOYSA-N	-1	0	328.711	2.045	1	0		EEAFRM
CCSc1nnc(NC(=O)[C@@H]2[C@H]3C=C[C@H](C3)[C@@H]2C(=O)[O-])s1	ZINC000013153620	211531567	/nfs/dbraw/zinc/53/15/67/211531567.db2.gz	ROCXLAJJRSSVTB-KDXUFGMBSA-N	-1	0	325.415	2.112	1	0		EEAFRM
O=C([O-])c1ccccc1NCN1C(=O)[C@@H]2CC=C(Cl)C[C@@H]2C1=O	ZINC000000099033	304270586	/nfs/dbraw/zinc/27/05/86/304270586.db2.gz	TWRXIBCJDHRIIO-PWSUYJOCSA-N	-1	0	334.759	2.272	3	0		EEAFRM
C[C@@H]1C(C(N)=O)=C2C(OCC(=O)[O-])=CC=CN2/C1=C\c1ccccc1	ZINC000040701129	213371302	/nfs/dbraw/zinc/37/13/02/213371302.db2.gz	CBYRULZDLPFYPK-GVIGZQTCSA-N	-1	0	338.363	2.231	1	0		EEAFRM
Nc1cc2c(=O)c(C(=O)[O-])cn(C3CC3)c2cc1N1CCSCC1	ZINC000000008478	527461316	/nfs/dbraw/zinc/46/13/16/527461316.db2.gz	UBEMOMCZSHAXEB-UHFFFAOYSA-N	-1	0	345.424	2.170	1	0		EEAFRM
CCOC(=O)[C@H]1C([O-])=C(C(C)=O)C(=O)C[C@@H]1C[C@@H](C)SCC	ZINC000101838647	219166659	/nfs/dbraw/zinc/16/66/59/219166659.db2.gz	RTYSMJMWAJSKON-DGFQIJBJSA-N	-1	0	328.430	2.061	1	0		EEAFRM
COc1ccc(C(=O)[O-])c(O[C@H]2CC[C@H]3C[NH2+][C@H](C(=O)[O-])C[C@H]3C2)c1	ZINC000096939191	218903657	/nfs/dbraw/zinc/90/36/57/218903657.db2.gz	AHIJIBOKALRNIA-WJNVRWDZSA-N	-1	0	349.383	2.004	1	0		EEAFRM
CC(=O)SC[C@@H](C)C(=O)N1C[C@@H](Cc2ccccc2)C[C@H]1C(=O)[O-]	ZINC000040503452	213324813	/nfs/dbraw/zinc/32/48/13/213324813.db2.gz	OGZNUXCSEUPSEV-KCXAZCMYSA-N	-1	0	349.452	2.447	1	0		EEAFRM
CCc1cc(=O)oc2nc(OCc3ccccc3OC)[n-]c(=O)c12	ZINC000073170085	216360133	/nfs/dbraw/zinc/36/01/33/216360133.db2.gz	NFWHZAVBXKGCIA-UHFFFAOYSA-N	-1	0	328.324	2.026	1	0		EEAFRM
CN1[C@H](C(=O)[O-])CS[C@@H]1c1csc(-c2ccc(N)cc2O)n1	ZINC000103234745	219273859	/nfs/dbraw/zinc/27/38/59/219273859.db2.gz	LRBYKLSFZOYSFO-GXFFZTMASA-N	-1	0	337.426	2.228	1	0		EEAFRM
CCSc1nnc(NC(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C(=O)[O-])s1	ZINC000013153621	211532200	/nfs/dbraw/zinc/53/22/00/211532200.db2.gz	ROCXLAJJRSSVTB-KZVJFYERSA-N	-1	0	325.415	2.112	1	0		EEAFRM
CN(C)c1c(F)cc2c(=O)c(C(=O)[O-])c3scc4n3c2c1OC4	ZINC000101379677	219124945	/nfs/dbraw/zinc/12/49/45/219124945.db2.gz	IIECCSCETPMRDY-UHFFFAOYSA-N	-1	0	334.328	2.310	1	0		EEAFRM
O=C([O-])c1cn2c(n1)c(=O)[nH]c1c2[C@@H](n2cccc2)c2ccccc2-1	ZINC000028225415	581102153	/nfs/dbraw/zinc/10/21/53/581102153.db2.gz	SEZGYYXXLBFPSQ-AWEZNQCLSA-N	-1	0	332.319	2.140	1	0		EEAFRM
[NH3+][C@@](CCc1ccccc1C(F)(F)F)(C(=O)[O-])[C@@H]1C[C@@H]1C(=O)[O-]	ZINC000027211498	212549736	/nfs/dbraw/zinc/54/97/36/212549736.db2.gz	FHTKMAZEXOYCJZ-DRCTWCGVSA-N	-1	0	331.290	2.141	1	0		EEAFRM
CCCc1c(OC[C@@H](O)CSCC(=O)[O-])ccc(C(C)=O)c1O	ZINC000013884416	211653422	/nfs/dbraw/zinc/65/34/22/211653422.db2.gz	FDSCNESPRGKMGP-LLVKDONJSA-N	-1	0	342.413	2.105	1	0		EEAFRM
O=C([O-])CN1c2ccccc2CC[C@@H](OC(=O)c2ccccc2)C1=O	ZINC000053243708	214172430	/nfs/dbraw/zinc/17/24/30/214172430.db2.gz	MGGCSZNTRKNNQI-MRXNPFEDSA-N	-1	0	339.347	2.276	1	0		EEAFRM
O=C(NC1CCCCC1)C1=C([O-])[C@H](CCc2ccccc2)NC1=O	ZINC000101435503	219127732	/nfs/dbraw/zinc/12/77/32/219127732.db2.gz	JKFKNCPODFBXRV-HNNXBMFYSA-N	-1	0	328.412	2.379	1	0		EEAFRM
C[C@@H]1Cc2cc(N(C)N(C)C)c(F)cc2-c2cc(=O)c(C(=O)[O-])cn21	ZINC000040741569	213380284	/nfs/dbraw/zinc/38/02/84/213380284.db2.gz	GXVZHVVFOZZHPA-SNVBAGLBSA-N	-1	0	345.374	2.383	1	0		EEAFRM
CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2ccc(O)cc2)cc1)C(=O)[O-]	ZINC000028566114	212624608	/nfs/dbraw/zinc/62/46/08/212624608.db2.gz	PQTZCOOFMGZHKK-MRXNPFEDSA-N	-1	0	349.408	2.447	1	0		EEAFRM
CNc1ncc(-c2cncc([N-]S(=O)(=O)c3ccccc3)c2)cn1	ZINC000073168377	216359087	/nfs/dbraw/zinc/35/90/87/216359087.db2.gz	CAAVZSAOPQOTHF-UHFFFAOYSA-N	-1	0	341.396	2.381	1	0		EEAFRM
O=C(/C=C/c1ccco1)Nc1ccc(N2CCOCC2)c(C(=O)[O-])c1	ZINC000029128436	135742590	/nfs/dbraw/zinc/74/25/90/135742590.db2.gz	YVPQHBZUXODEKS-GQCTYLIASA-N	-1	0	342.351	2.466	1	0		EEAFRM
O=C([O-])CN1c2ccccc2CC[C@H](OC(=O)c2ccccc2)C1=O	ZINC000053243710	214172642	/nfs/dbraw/zinc/17/26/42/214172642.db2.gz	MGGCSZNTRKNNQI-INIZCTEOSA-N	-1	0	339.347	2.276	1	0		EEAFRM
O=C([O-])c1noc(-c2cccc(I)c2)c1CO	ZINC000042922440	213542332	/nfs/dbraw/zinc/54/23/32/213542332.db2.gz	NRDPTAXLSPQIGI-UHFFFAOYSA-N	-1	0	345.092	2.137	1	0		EEAFRM
O=C([O-])c1c2c(sc1NC(=S)N1CCOCC1)CCCC2	ZINC000042919905	213542289	/nfs/dbraw/zinc/54/22/89/213542289.db2.gz	QSLQSQZYSXBNDQ-UHFFFAOYSA-N	-1	0	326.443	2.354	1	0		EEAFRM
CN1[C@H](C(=O)[O-])CS[C@H]1c1csc(-c2ccc(O)cc2O)n1	ZINC000103234737	219273595	/nfs/dbraw/zinc/27/35/95/219273595.db2.gz	VNFKVBSUMZICBM-GWCFXTLKSA-N	-1	0	338.410	2.352	1	0		EEAFRM
Cc1ccc(S(=O)(=O)[N-]c2cncc(-c3cnc(N)nc3)c2)cc1	ZINC000073166627	216359288	/nfs/dbraw/zinc/35/92/88/216359288.db2.gz	VDYLONLMKRMLBV-UHFFFAOYSA-N	-1	0	341.396	2.230	1	0		EEAFRM
Nc1nc(C[C@H](O)c2ccc(Cl)cc2)c(Br)c(=O)[n-]1	ZINC000096914684	218898396	/nfs/dbraw/zinc/89/83/96/218898396.db2.gz	OHERLKWBOVKZCV-VIFPVBQESA-N	-1	0	344.596	2.044	1	0		EEAFRM
COc1cc(OC)cc(-c2cn(-c3ccc(O)c(C(=O)[O-])c3)nn2)c1	ZINC000053298502	214175782	/nfs/dbraw/zinc/17/57/82/214175782.db2.gz	GYCORJCLQBOSPD-UHFFFAOYSA-N	-1	0	341.323	2.355	1	0		EEAFRM
CN(CC(=O)[O-])C(=O)CCc1nc2c(s1)c(F)cc(F)c2F	ZINC000029410577	212666142	/nfs/dbraw/zinc/66/61/42/212666142.db2.gz	XOGMYASVWNUFQA-UHFFFAOYSA-N	-1	0	332.303	2.189	1	0		EEAFRM
COc1cccnc1-c1c([O-])c(=O)[nH]c2cc(Cl)ccc2c1=O	ZINC000026840551	202148857	/nfs/dbraw/zinc/14/88/57/202148857.db2.gz	SBEYXWQZXQQAPH-UHFFFAOYSA-N	-1	0	330.727	2.318	1	0		EEAFRM
[NH3+][C@@](CCc1ccc(C(F)(F)F)cc1)(C(=O)[O-])[C@H]1C[C@@H]1C(=O)[O-]	ZINC000027208152	202152467	/nfs/dbraw/zinc/15/24/67/202152467.db2.gz	RYXOROIRCHCEMQ-COPLHBTASA-N	-1	0	331.290	2.141	1	0		EEAFRM
CCN(c1ccc(C(=O)[O-])cn1)c1ccc2c(C)cc(=O)n(C)c2n1	ZINC000058603898	202770502	/nfs/dbraw/zinc/77/05/02/202770502.db2.gz	XIGQSNYTHZDEPS-UHFFFAOYSA-N	-1	0	338.367	2.493	1	0		EEAFRM
O=C1CCCC(=O)C1=C([O-])c1ccccc1I	ZINC000100855619	203998831	/nfs/dbraw/zinc/99/88/31/203998831.db2.gz	OGHGLYVCKWVCJJ-UHFFFAOYSA-N	-1	0	342.132	2.412	1	0	in-vivo	EEAFRM
O=c1oc2ccccc2c([O-])c1C[C@H]1C(=O)Oc2ccccc2[C@@H]1O	ZINC000026501578	202144057	/nfs/dbraw/zinc/14/40/57/202144057.db2.gz	OCFKRQNGSJRUCD-WBMJQRKESA-N	-1	0	338.315	2.310	1	0		EEAFRM
Cc1ccc(-c2nnc(NC(=O)C[C@@H]3SC(=O)[N-]C3=O)s2)cc1	ZINC000103284977	204071997	/nfs/dbraw/zinc/07/19/97/204071997.db2.gz	VZBDMMVHQYNDOB-VIFPVBQESA-N	-1	0	348.409	2.194	1	0		EEAFRM
COc1cccc2c1C=C([N+](=O)[O-])[C@@H]1C2=C2OCOC2=C[C@@H]1C(=O)[O-]	ZINC000028115030	202165568	/nfs/dbraw/zinc/16/55/68/202165568.db2.gz	XFZJGZRXKHUYSB-IINYFYTJSA-N	-1	0	343.291	2.256	1	0		EEAFRM
O=C([O-])[C@@H](CCCNC(=O)c1ccccc1)NC(=O)c1ccccc1	ZINC000013438253	201895085	/nfs/dbraw/zinc/89/50/85/201895085.db2.gz	NTRBNFOLBJWRAO-MRXNPFEDSA-N	-1	0	340.379	2.080	1	0		EEAFRM
C[S@@](=O)c1ccc(C(=O)c2ccc3n2CCC[C@H]3C(=O)[O-])cc1	ZINC000025991896	202137316	/nfs/dbraw/zinc/13/73/16/202137316.db2.gz	RELMGKYHTMTUJD-ZLOXQWCVSA-N	-1	0	331.393	2.419	1	0		EEAFRM
O=C([O-])C[C@@H]1COCCN1C(=O)C1(c2ccc(Cl)cc2)CCC1	ZINC000072153394	304077377	/nfs/dbraw/zinc/07/73/77/304077377.db2.gz	BUVCBMUNZITQCL-CQSZACIVSA-N	-1	0	337.803	2.464	1	0		EEAFRM
CCC[C@H](CC(=O)CCc1ccc(O)c(OC)c1)S(=O)(=O)[O-]	ZINC000015257141	560229798	/nfs/dbraw/zinc/22/97/98/560229798.db2.gz	YJMGVBJYAHWWPU-CYBMUJFWSA-N	-1	0	330.402	2.349	1	0	biogenic,in-vitro	EEAFRM
O=C([O-])[C@@H]1[C@@H](C(=O)Nc2ccc(Br)cc2)[C@H]2CC[C@@H]1O2	ZINC000071340274	203094350	/nfs/dbraw/zinc/09/43/50/203094350.db2.gz	DYEOESDSRHAVAX-RHYQMDGZSA-N	-1	0	340.173	2.266	1	0		EEAFRM
COc1cc(C(=O)Nc2nnn[n-]2)nc(-c2ccc(Cl)cc2)c1	ZINC000029314484	202184627	/nfs/dbraw/zinc/18/46/27/202184627.db2.gz	HCMWTEBNYMEWEF-UHFFFAOYSA-N	-1	0	330.735	2.176	1	0		EEAFRM
O=C([O-])N1CCC(CNS(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000222803114	601987780	/nfs/dbraw/zinc/98/77/80/601987780.db2.gz	CFNWARLITZSZQR-UHFFFAOYSA-N	-1	0	332.809	2.008	1	0	in-vitro	EEAFRM
O=C([O-])CNC(=O)/C=C/CCC=C(Br)Br	ZINC000053293613	214174655	/nfs/dbraw/zinc/17/46/55/214174655.db2.gz	QQIILDCNQXQJDQ-HWKANZROSA-N	-1	0	340.999	2.155	1	0		EEAFRM
Cc1ccc(Cn2cc(C(=O)[O-])c(=O)c3ccc4c(nnn4C)c32)cc1	ZINC000028704658	212631558	/nfs/dbraw/zinc/63/15/58/212631558.db2.gz	BBURTQCTLMSCLS-UHFFFAOYSA-N	-1	0	348.362	2.338	1	0		EEAFRM
COc1cc(-c2oc3cc([O-])c(OC)c(O)c3c(=O)c2O)ccc1O	ZINC000014727326	571722137	/nfs/dbraw/zinc/72/21/37/571722137.db2.gz	XWIDINOKCRFVHQ-UHFFFAOYSA-N	-1	0	346.291	2.300	1	0	endogenous,in-man	EEAFRM
Cc1ccc2occ(/C=C3/SC(=O)N(CC(=O)[O-])C3=O)c(=O)c2c1	ZINC000040409292	213300836	/nfs/dbraw/zinc/30/08/36/213300836.db2.gz	JOWOPGRZRNMFRS-LFYBBSHMSA-N	-1	0	345.332	2.222	1	0		EEAFRM
O=C([O-])[C@@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)Nc1ccccc1C(F)(F)F	ZINC000013147225	211529217	/nfs/dbraw/zinc/52/92/17/211529217.db2.gz	HEQCVKVKKBIQIR-WHOHXGKFSA-N	-1	0	327.258	2.298	1	0		EEAFRM
NC(=O)c1nc(-c2ccccc2[O-])nc2c1ncn2Cc1ccccc1	ZINC000049784885	214031251	/nfs/dbraw/zinc/03/12/51/214031251.db2.gz	LJBKQWVIAUXHTB-UHFFFAOYSA-N	-1	0	345.362	2.346	1	0		EEAFRM
CCOC(=O)c1cc(-c2ccc(NC(=O)CCCC(=O)[O-])cc2)[nH]n1	ZINC000072126935	216018203	/nfs/dbraw/zinc/01/82/03/216018203.db2.gz	FHCMZYDXDQNLGO-UHFFFAOYSA-N	-1	0	345.355	2.447	1	0		EEAFRM
CCC(=Cc1cc(C(=O)[O-])ccc1N1C(=O)CCC1(CO)CO)CC	ZINC000084654130	217627211	/nfs/dbraw/zinc/62/72/11/217627211.db2.gz	BOIJNHMNUWDKGW-UHFFFAOYSA-N	-1	0	347.411	2.438	1	0		EEAFRM
CC(=O)[C@H]1[C@@H](O)C(=O)N(c2ccc(C(=O)[O-])cc2)[C@H]1c1ccccc1	ZINC000102239961	219191883	/nfs/dbraw/zinc/19/18/83/219191883.db2.gz	CBTBGCPAOMXRGA-IXDOHACOSA-N	-1	0	339.347	2.039	1	0		EEAFRM
COc1ccc(S(=O)(=O)Nc2c([O-])c3ccccc3oc2=O)cc1	ZINC000101783654	219164837	/nfs/dbraw/zinc/16/48/37/219164837.db2.gz	COUZTFSBZDNOQU-UHFFFAOYSA-N	-1	0	347.348	2.308	1	0		EEAFRM
CCOc1ccc(OCC)c(NC(=O)[C@@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)[O-])c1	ZINC000004187969	210141942	/nfs/dbraw/zinc/14/19/42/210141942.db2.gz	FYKKYJCPDCPXTN-QXSJWSMHSA-N	-1	0	347.367	2.077	1	0		EEAFRM
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)Nc1ccc(Br)cc1	ZINC000071340273	215763880	/nfs/dbraw/zinc/76/38/80/215763880.db2.gz	DYEOESDSRHAVAX-KXNHARMFSA-N	-1	0	340.173	2.266	1	0		EEAFRM
CCCCNC(=O)[C@H](CCC(=O)[O-])NC(=O)c1cccc(Cl)c1	ZINC000027208766	212549000	/nfs/dbraw/zinc/54/90/00/212549000.db2.gz	PUSOJHCLXKMHFR-ZDUSSCGKSA-N	-1	0	340.807	2.220	1	0		EEAFRM
Cc1nc(N)ncc1-c1cncc([N-]S(=O)(=O)c2ccccc2)c1	ZINC000073167226	216359565	/nfs/dbraw/zinc/35/95/65/216359565.db2.gz	PAADIPLGCFOCOH-UHFFFAOYSA-N	-1	0	341.396	2.230	1	0		EEAFRM
CC(C)CC1C(=O)N=C(SCC(=O)N2CCCCCC2)N=C1[O-]	ZINC000005095311	210388071	/nfs/dbraw/zinc/38/80/71/210388071.db2.gz	PXAMVHRSEUNQMS-UHFFFAOYSA-N	-1	0	339.461	2.169	3	0		EEAFRM
CC[C@H](C)[C@@H](C(=O)[O-])N1C(=O)[C@@H]2Cc3ccccc3CN2C1(C)C	ZINC000066259840	215027804	/nfs/dbraw/zinc/02/78/04/215027804.db2.gz	QOOUYRBZZDYTEG-RCBQFDQVSA-N	-1	0	330.428	2.491	1	0		EEAFRM
O=C([O-])Cc1ccc(OCCN2c3sccc3OCC2=O)cc1	ZINC000012358222	211355484	/nfs/dbraw/zinc/35/54/84/211355484.db2.gz	HRFKXSVUYVADLX-UHFFFAOYSA-N	-1	0	333.365	2.180	1	0		EEAFRM
CCOC(=O)C(C=Nc1ccc(Cl)c(C(=O)[O-])c1)C(=O)OCC	ZINC000101942780	219174710	/nfs/dbraw/zinc/17/47/10/219174710.db2.gz	WGRISAXOGADSPN-UHFFFAOYSA-N	-1	0	341.747	2.460	1	0		EEAFRM
C[C@H]1/C(=C/C(=O)[O-])CC[C@H]2[C@H]1[C@@H](O)C(=O)[C@H]1[C@H](C)[C@@H](O)CC[C@]21C	ZINC000040893986	213398087	/nfs/dbraw/zinc/39/80/87/213398087.db2.gz	YUOAAEKOGSLIOE-XIYXGMEGSA-N	-1	0	336.428	2.017	1	0		EEAFRM
COc1c(C)c2c(c(O)c1C/C=C(\C)C[P@@](=O)([O-])O)C(=O)OC2	ZINC000036338579	213085898	/nfs/dbraw/zinc/08/58/98/213085898.db2.gz	AGGQRAVZPKFXET-XBXARRHUSA-N	-1	0	342.284	2.046	1	0		EEAFRM
CN1C(C(=O)Nc2ccccc2)=C([O-])c2sccc2S1(=O)=O	ZINC000040514819	213330559	/nfs/dbraw/zinc/33/05/59/213330559.db2.gz	JYSXBKQQEZDNIV-UHFFFAOYSA-N	-1	0	336.394	2.248	1	0		EEAFRM
CC(C)C[C@@H](C(=O)[O-])N1C(=O)[C@@H]2Cc3ccccc3CN2C1(C)C	ZINC000066251989	215027104	/nfs/dbraw/zinc/02/71/04/215027104.db2.gz	AEIVNJFOFJNBSV-HOTGVXAUSA-N	-1	0	330.428	2.491	1	0		EEAFRM
O=C([O-])c1ccc2c(c1)nc(-c1ccc3c(c1)OCO3)n2CCO	ZINC000103230336	219272735	/nfs/dbraw/zinc/27/27/35/219272735.db2.gz	GZNFVTVGJBLLMU-UHFFFAOYSA-N	-1	0	326.308	2.123	1	0		EEAFRM
COC(=O)Cc1cc(Br)c([O-])c(Br)c1O	ZINC000040833810	213392094	/nfs/dbraw/zinc/39/20/94/213392094.db2.gz	RMRNQYDAEAONQT-UHFFFAOYSA-N	-1	0	339.967	2.338	1	0		EEAFRM
Cc1c(Cc2ccccc2)n2cccc(NCC(=O)[O-])c2c1C(N)=O	ZINC000027196905	212548864	/nfs/dbraw/zinc/54/88/64/212548864.db2.gz	SGEIYUDGOUMHKL-UHFFFAOYSA-N	-1	0	337.379	2.434	1	0		EEAFRM
CCN1CCN(c2ccc3c(=O)c(C(=O)[O-])cn(C(C)C)c3c2)CC1	ZINC000103282264	219281949	/nfs/dbraw/zinc/28/19/49/219281949.db2.gz	HKRIJDLSYNVNIK-UHFFFAOYSA-N	-1	0	343.427	2.423	1	0		EEAFRM
Cc1ccc(-c2nnc(NC(=O)C[C@H]3SC(=O)[N-]C3=O)s2)cc1	ZINC000103284976	219283815	/nfs/dbraw/zinc/28/38/15/219283815.db2.gz	VZBDMMVHQYNDOB-SECBINFHSA-N	-1	0	348.409	2.194	1	0		EEAFRM
Cc1ccc(C(=O)CN(CCC(=O)[O-])C(=O)c2ccncc2)cc1	ZINC000036387404	213093708	/nfs/dbraw/zinc/09/37/08/213093708.db2.gz	KRYVBZWYWUKCGQ-UHFFFAOYSA-N	-1	0	326.352	2.190	3	0		EEAFRM
COc1cc(OC)nc([S@@](=O)c2cccc(Cl)c2C(=O)[O-])n1	ZINC000103190218	219267394	/nfs/dbraw/zinc/26/73/94/219267394.db2.gz	WSPVSMQGRPVQRY-JOCHJYFZSA-N	-1	0	342.760	2.012	1	0		EEAFRM
CCn1c2scnc2c([O-])c(C(=O)NCc2ccc(F)cc2)c1=O	ZINC000035010317	213003468	/nfs/dbraw/zinc/00/34/68/213003468.db2.gz	ITUWCZMJNMOGDN-UHFFFAOYSA-N	-1	0	347.371	2.253	1	0		EEAFRM
O=C([O-])c1cc(=O)c2cccc(S(=O)(=O)c3ccccc3)c2[nH]1	ZINC000169314530	534542011	/nfs/dbraw/zinc/54/20/11/534542011.db2.gz	FCBOMRWZLHCYSY-UHFFFAOYSA-N	-1	0	329.333	2.059	1	0		EEAFRM
COc1c(O)cc(-c2oc3cc([O-])cc(O)c3c(=O)c2OC)cc1O	ZINC000014727364	560225099	/nfs/dbraw/zinc/22/50/99/560225099.db2.gz	MVJHAGLBHWPKLS-UHFFFAOYSA-N	-1	0	346.291	2.300	1	0	in-vitro	EEAFRM
CCN1CCN(c2ccc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2)CC1	ZINC000103284753	219282813	/nfs/dbraw/zinc/28/28/13/219282813.db2.gz	SAGMQAFQBYWUPS-UHFFFAOYSA-N	-1	0	341.411	2.177	1	0		EEAFRM
O=C([O-])[C@@H]1[C@@H]2C=C[C@@]3(CN(c4cccc(C(F)(F)F)c4)C(=O)[C@@H]13)O2	ZINC000095495812	304156040	/nfs/dbraw/zinc/15/60/40/304156040.db2.gz	LAAHNNVDJMNWOR-YFCNSXCBSA-N	-1	0	339.269	2.076	1	0		EEAFRM
COC(=O)C1=C(C)N(CCCC(=O)[O-])C(=O)N[C@@H]1c1cccs1	ZINC000008829532	211009752	/nfs/dbraw/zinc/00/97/52/211009752.db2.gz	AFGQSDLHBNSGKG-CYBMUJFWSA-N	-1	0	338.385	2.126	3	0		EEAFRM
CCOC(=O)c1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@H](C3)[C@@H]2C(=O)[O-])cc1	ZINC000013136916	285964210	/nfs/dbraw/zinc/96/42/10/285964210.db2.gz	FPDLFUOECYLQDS-MXYBEHONSA-N	-1	0	329.352	2.325	1	0		EEAFRM
COc1ccc(CN(Cc2ccncc2)C(=O)CCC(=O)[O-])cc1	ZINC000004083222	210114281	/nfs/dbraw/zinc/11/42/81/210114281.db2.gz	ATPVWAQTGXDKDD-UHFFFAOYSA-N	-1	0	328.368	2.484	3	0		EEAFRM
O=C([O-])C1=C(NC(=O)CCc2ccc3cc(O)ccc3c2)CCOC1	ZINC000034853743	212992823	/nfs/dbraw/zinc/99/28/23/212992823.db2.gz	YJZURINMMFXQKU-UHFFFAOYSA-N	-1	0	341.363	2.353	1	0		EEAFRM
Cc1ccc(N2CCC(C(=O)[O-])(n3ccc(C(C)C)n3)CC2)nn1	ZINC000072408003	216200090	/nfs/dbraw/zinc/20/00/90/216200090.db2.gz	JLZJYAOMUZKZSY-UHFFFAOYSA-N	-1	0	329.404	2.185	1	0		EEAFRM
COc1ccc(-c2oc3cc([O-])cc(O)c3c(=O)c2O)c(OC)c1O	ZINC000059766671	560082208	/nfs/dbraw/zinc/08/22/08/560082208.db2.gz	LYWHJXVFIUKXLE-UHFFFAOYSA-N	-1	0	346.291	2.300	1	0	biogenic,in-vitro	EEAFRM
O=C([O-])[C@@H](Cc1ccc(O)cc1)OC(=O)/C=C/c1ccc(O)cc1	ZINC000013526436	560218621	/nfs/dbraw/zinc/21/86/21/560218621.db2.gz	LVPGCTXCBGXZHO-ZWIJEDICSA-N	-1	0	328.320	2.350	1	0	in-vitro	EEAFRM
N[S@@](=O)Oc1cc(C(=O)[O-])c(NCc2ccco2)cc1Cl	ZINC000004689153	210247746	/nfs/dbraw/zinc/24/77/46/210247746.db2.gz	PJALBCRHHXTHAF-OAQYLSRUSA-N	-1	0	330.749	2.160	1	0		EEAFRM
C/C(=C\C(=O)[O-])C(=O)N(C)c1ccccc1I	ZINC000001654050	209775372	/nfs/dbraw/zinc/77/53/72/209775372.db2.gz	ZVHBWGUTGJPJDS-BQYQJAHWSA-N	-1	0	345.136	2.285	1	0		EEAFRM
COc1ccccc1[N-]S(=O)(=O)c1ccc(N2CCNC2=O)cc1	ZINC000073387254	216382498	/nfs/dbraw/zinc/38/24/98/216382498.db2.gz	SSVQOJYLVBBGGS-UHFFFAOYSA-N	-1	0	347.396	2.026	1	0		EEAFRM
CCOC(=O)c1cc(-c2ccc(NC(=O)CCC(=O)[O-])cc2)[nH]n1	ZINC000072126934	216018037	/nfs/dbraw/zinc/01/80/37/216018037.db2.gz	BYETUEXKCBQKFC-UHFFFAOYSA-N	-1	0	331.328	2.057	1	0		EEAFRM