smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1ccc([O-])c(NC(=O)c2ccc(NC(=O)[O-])cc2)c1	ZINC000831136730	603949643	/nfs/dbraw/zinc/94/96/43/603949643.db2.gz	IYAYYDXAUFJIID-UHFFFAOYSA-N	-2	0	297.270	2.606	20	30		CFEDRL
O=C(/C=C/c1ccc([O-])c([N+](=O)[O-])c1)c1ccccc1[O-]	ZINC000156597974	622948595	/nfs/dbraw/zinc/94/85/95/622948595.db2.gz	CWPCFVZPCFAWSO-FNORWQNLSA-N	-2	0	285.255	2.902	20	30		CFEDRL
COc1ccc(/C=C\C(=O)c2cc(C(=O)[O-])ccc2[O-])cc1	ZINC000032016844	623861900	/nfs/dbraw/zinc/86/19/00/623861900.db2.gz	BIQQOVRJGZSEIO-YWEYNIOJSA-N	-2	0	298.294	2.995	20	30		CFEDRL
N#Cc1ccc(/C=C\C(=O)c2cc(C(=O)[O-])ccc2[O-])s1	ZINC000757472809	626552629	/nfs/dbraw/zinc/55/26/29/626552629.db2.gz	KQYIGBUGGVXPSN-XQRVVYSFSA-N	-2	0	299.307	2.920	20	30		CFEDRL
CC(=NNc1cccc(C(=O)[O-])c1)c1sccc1[O-]	ZINC000769762139	627472568	/nfs/dbraw/zinc/47/25/68/627472568.db2.gz	FKYMRZFMJYQZRP-UHFFFAOYSA-N	-2	0	276.317	2.988	20	30		CFEDRL
COc1ccc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2[O-])cc1	ZINC000806560345	630812025	/nfs/dbraw/zinc/81/20/25/630812025.db2.gz	LFGLRWFCQZGPOO-WTKPLQERSA-N	-2	0	298.294	2.995	20	30		CFEDRL
O=C([O-])c1cc(C=CC(=O)c2sccc2[O-])ccc1O	ZINC000809158412	631091467	/nfs/dbraw/zinc/09/14/67/631091467.db2.gz	YGBILJLQHCKTPO-RQOWECAXSA-N	-2	0	290.296	2.754	20	30		CFEDRL
C[C@@H]1C(N=Nc2ccccc2C(=O)[O-])CC[C@H]1CC(=O)[O-]	ZINC000814768980	632120901	/nfs/dbraw/zinc/12/09/01/632120901.db2.gz	RCQWCSUEIJEIEG-UWVGGRQHSA-N	-2	0	290.319	2.674	20	30		CFEDRL
CCc1oc(C)c([O-])c1Oc1cc(C(C)=O)ccc1[O-]	ZINC001225998851	775663323	/nfs/dbraw/zinc/66/33/23/775663323.db2.gz	QGAMOPQTJBWVRV-SECBINFHSA-N	-2	0	276.288	2.583	20	30		CFEDRL
Cc1cc(C)c(C#N)c(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)n1	ZINC001242159577	781307821	/nfs/dbraw/zinc/30/78/21/781307821.db2.gz	MZQGSODTKOFVKV-UHFFFAOYSA-N	-2	0	296.282	2.634	20	30		CFEDRL
COc1cccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1C#N	ZINC001242162293	781309951	/nfs/dbraw/zinc/30/99/51/781309951.db2.gz	STLOLKCPUKLMRS-UHFFFAOYSA-N	-2	0	297.266	2.630	20	30		CFEDRL
Cc1cc(C#N)cc(-c2c(C(=O)[O-])cccc2C(=O)[O-])c1	ZINC001242477673	781531568	/nfs/dbraw/zinc/53/15/68/781531568.db2.gz	GNLWWDQYSSUFIN-UHFFFAOYSA-N	-2	0	281.267	2.930	20	30		CFEDRL
Cc1cc(-c2c(C(=O)[O-])cccc2C(=O)[O-])ccc1C#N	ZINC001242767301	781750655	/nfs/dbraw/zinc/75/06/55/781750655.db2.gz	OZFYZXNGFASYKC-UHFFFAOYSA-N	-2	0	281.267	2.930	20	30		CFEDRL
N#Cc1cccc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2[O-])c1	ZINC000806560688	630812152	/nfs/dbraw/zinc/81/21/52/630812152.db2.gz	NWTLJEWSRNUOTR-DAXSKMNVSA-N	-2	0	293.278	2.858	20	30		CFEDRL
N#Cc1cccc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2[O-])c1	ZINC000806560689	630812417	/nfs/dbraw/zinc/81/24/17/630812417.db2.gz	NWTLJEWSRNUOTR-QPJJXVBHSA-N	-2	0	293.278	2.858	20	30		CFEDRL
C[C@H]1C(N=Nc2cccc(C(=O)[O-])c2)CC[C@H]1CC(=O)[O-]	ZINC000814687594	632108649	/nfs/dbraw/zinc/10/86/49/632108649.db2.gz	MTNCLBHVIQBCBG-ZJUUUORDSA-N	-2	0	290.319	2.674	20	30		CFEDRL
O=C(C=Cc1ccc([O-])c([N+](=O)[O-])c1)c1sccc1[O-]	ZINC000588495758	770863939	/nfs/dbraw/zinc/86/39/39/770863939.db2.gz	OJBHKXPEICJOJH-RQOWECAXSA-N	-2	0	291.284	2.964	20	30		CFEDRL
O=C(C=Cc1cc([O-])ccc1[N+](=O)[O-])c1sccc1[O-]	ZINC000588598848	775262877	/nfs/dbraw/zinc/26/28/77/775262877.db2.gz	HTQREVIXLRYIBK-RJRFIUFISA-N	-2	0	291.284	2.964	20	30		CFEDRL
CCC1=C(Oc2cc3[nH]ccc3cc2O)C(=O)[C@H](C)O1	ZINC001228028777	776368551	/nfs/dbraw/zinc/36/85/51/776368551.db2.gz	BVIIAGXCOLSRLY-QMMMGPOBSA-N	-2	0	273.288	2.862	20	30		CFEDRL
CCC1=C(Oc2cc3[nH]ccc3cc2O)C(=O)[C@@H](C)O1	ZINC001228028775	776368577	/nfs/dbraw/zinc/36/85/77/776368577.db2.gz	BVIIAGXCOLSRLY-MRVPVSSYSA-N	-2	0	273.288	2.862	20	30		CFEDRL
C=CC[C@@H](Oc1cc(O)cc([O-])c1[N+](=O)[O-])C(C)C	ZINC001228974219	776674123	/nfs/dbraw/zinc/67/41/23/776674123.db2.gz	RVPDQQKZDBOILK-LLVKDONJSA-N	-2	0	267.281	2.986	20	30		CFEDRL
CCc1oc(C)c([O-])c1Oc1cc([N+](=O)[O-])c(C)cc1[O-]	ZINC001229749948	776885878	/nfs/dbraw/zinc/88/58/78/776885878.db2.gz	ISDOIZGDLHCQOU-MRVPVSSYSA-N	-2	0	293.275	2.597	20	30		CFEDRL
C=C[C@H](CC)Oc1ccc(OP(=O)([O-])[O-])cc1	ZINC001234332828	778209679	/nfs/dbraw/zinc/20/96/79/778209679.db2.gz	SOESLWVMJLUKRI-SECBINFHSA-N	-2	0	258.210	2.502	20	30		CFEDRL
COc1cc(C#N)ccc1-c1c(C(=O)[O-])cccc1C(=O)[O-]	ZINC001241396576	780849267	/nfs/dbraw/zinc/84/92/67/780849267.db2.gz	BYDLFTVDOYDILW-UHFFFAOYSA-N	-2	0	297.266	2.630	20	30		CFEDRL
CC[C@@H](/N=C\c1cc(Cl)cc(Cl)c1[O-])C(=O)[O-]	ZINC000818261360	601498710	/nfs/dbraw/zinc/49/87/10/601498710.db2.gz	HYHSAAMPJNMPRL-YZJXFOOCSA-N	-2	0	276.119	2.981	20	30		CFEDRL
Cc1ccc(C(=O)/C=C\c2c[nH]c(C(=O)[O-])c2)c([O-])c1	ZINC000832911106	601825894	/nfs/dbraw/zinc/82/58/94/601825894.db2.gz	KWLKWRHQYPHDCF-HYXAFXHYSA-N	-2	0	271.272	2.623	20	30		CFEDRL
CC(=NNc1ccccc1C(=O)[O-])c1cccc(C(=O)[O-])c1	ZINC000764665896	605098005	/nfs/dbraw/zinc/09/80/05/605098005.db2.gz	JOGLMZKLIVCCIA-UHFFFAOYSA-N	-2	0	298.298	2.919	20	30		CFEDRL
O=C([O-])c1ccc(/C=C\C(=O)c2cccc(C(=O)[O-])c2)cc1	ZINC000806558353	617714719	/nfs/dbraw/zinc/71/47/19/617714719.db2.gz	AMELJQLBOPQEKU-TWGQIWQCSA-N	-2	0	296.278	2.979	20	30		CFEDRL
O=C([O-])c1ccc(C=NNc2cccc(C(=O)[O-])c2)cc1	ZINC000916255374	624230801	/nfs/dbraw/zinc/23/08/01/624230801.db2.gz	WGQTUGBCDWSXLQ-UHFFFAOYSA-N	-2	0	284.271	2.529	20	30		CFEDRL
O=C([O-])c1csc(/C=C\C(=O)c2ccc(O)cc2[O-])c1	ZINC000782206808	628614468	/nfs/dbraw/zinc/61/44/68/628614468.db2.gz	KHVCYMPWVPLTMP-RQOWECAXSA-N	-2	0	290.296	2.754	20	30		CFEDRL
O=C([O-])c1ccc(C(=O)/C=C/c2ccccc2)c([O-])c1	ZINC000806558395	630810801	/nfs/dbraw/zinc/81/08/01/630810801.db2.gz	BFNVMKVDVXPMSS-RMKNXTFCSA-N	-2	0	268.268	2.987	20	30		CFEDRL
C=CC[C@H](C=C)Oc1ccc(OP(=O)([O-])[O-])cc1	ZINC001234334242	778210899	/nfs/dbraw/zinc/21/08/99/778210899.db2.gz	FKWWIVRCAKJCPY-JTQLQIEISA-N	-2	0	270.221	2.668	20	30		CFEDRL
CC#Cc1cncc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1	ZINC001242162717	781309775	/nfs/dbraw/zinc/30/97/75/781309775.db2.gz	JZCZMDWLGAPECT-UHFFFAOYSA-N	-2	0	281.267	2.516	20	30		CFEDRL
CCCCC[C@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])C(=O)[O-]	ZINC000829312626	601365434	/nfs/dbraw/zinc/36/54/34/601365434.db2.gz	XIKVRJRADXWGRL-DGGAMASNSA-N	-2	0	294.307	2.753	20	30		CFEDRL
Cc1ccc(C(=O)/C=C/c2ccoc2C(=O)[O-])c([O-])c1	ZINC000832911007	601825956	/nfs/dbraw/zinc/82/59/56/601825956.db2.gz	HVYSUCXSAAHUKN-HWKANZROSA-N	-2	0	272.256	2.888	20	30		CFEDRL
C[C@@H](/N=C/c1cc(Cl)cc(Cl)c1[O-])C(=O)[O-]	ZINC000738947322	602096596	/nfs/dbraw/zinc/09/65/96/602096596.db2.gz	VXPOMBJKBXUQKO-PPFPWSOCSA-N	-2	0	262.092	2.591	20	30		CFEDRL
N#Cc1ccc(/C=C/C(=O)c2cc(C(=O)[O-])ccc2[O-])cc1	ZINC000757472557	626553018	/nfs/dbraw/zinc/55/30/18/626553018.db2.gz	KJDHYZVSNWNHOJ-FNORWQNLSA-N	-2	0	293.278	2.858	20	30		CFEDRL
CC(=NNc1nc(C)cc(=O)[nH]1)c1ccc(O)c(Cl)c1	ZINC000768763857	627369226	/nfs/dbraw/zinc/36/92/26/627369226.db2.gz	NEJRUISCNAQFNP-UHFFFAOYSA-N	-2	0	292.726	2.686	20	30		CFEDRL
O=C([O-])c1ccc(C(=O)/C=C/c2cccc(O)c2)c([O-])c1	ZINC000806559897	630812263	/nfs/dbraw/zinc/81/22/63/630812263.db2.gz	GJQFYZFYSQUBJV-QPJJXVBHSA-N	-2	0	284.267	2.692	20	30		CFEDRL
COc1ccccc1/C=C/C(=O)c1ccc(C(=O)[O-])cc1[O-]	ZINC000806558882	630812677	/nfs/dbraw/zinc/81/26/77/630812677.db2.gz	OIXBXLMNCWDEIZ-VQHVLOKHSA-N	-2	0	298.294	2.995	20	30		CFEDRL
O=C([O-])c1ccc(C=NNc2ccccc2C(=O)[O-])cc1	ZINC000812441511	631719251	/nfs/dbraw/zinc/71/92/51/631719251.db2.gz	AWDSNGHTHJIXIJ-UHFFFAOYSA-N	-2	0	284.271	2.529	20	30		CFEDRL
N#Cc1ccc([O-])c([N-]S(=O)(=O)CCC2CCCC2)c1	ZINC000882708713	645425409	/nfs/dbraw/zinc/42/54/09/645425409.db2.gz	QYJORBYMYYRXQU-UHFFFAOYSA-N	-2	0	294.376	2.586	20	30		CFEDRL
O=C([O-])c1ccc(/C=C\C(=O)c2ccc(O)cc2[O-])cc1	ZINC000757471307	601825759	/nfs/dbraw/zinc/82/57/59/601825759.db2.gz	ASDSCINYCFUUIX-BAQGIRSFSA-N	-2	0	284.267	2.692	20	30		CFEDRL
O=C([O-])COc1ccc(/C=C\C(=O)c2ccccc2[O-])cc1	ZINC000757474907	626553262	/nfs/dbraw/zinc/55/32/62/626553262.db2.gz	NHSNAEWLKDJTLJ-YFHOEESVSA-N	-2	0	298.294	2.752	20	30		CFEDRL
CC(=NNc1ccc(C(=O)[O-])cc1)c1sccc1[O-]	ZINC000769766455	627473183	/nfs/dbraw/zinc/47/31/83/627473183.db2.gz	MORYIBHHKLSXNM-UHFFFAOYSA-N	-2	0	276.317	2.988	20	30		CFEDRL
COc1ccc(C(=O)/C=C/c2cccc(C(=O)[O-])c2)c([O-])c1	ZINC000126465741	643234413	/nfs/dbraw/zinc/23/44/13/643234413.db2.gz	UXJRZEHMPBSCTQ-VMPITWQZSA-N	-2	0	298.294	2.995	20	30		CFEDRL
N#Cc1ccc(C(=O)[O-])nc1/C=C/c1cccc(C(=O)[O-])c1	ZINC000358179613	155660685	/nfs/dbraw/zinc/66/06/85/155660685.db2.gz	GLUJAOCSRBDFCY-GQCTYLIASA-N	-2	0	294.266	2.520	20	30		CFEDRL
O=C([O-])c1ccc(/C=C/C(=O)c2cc(F)ccc2[O-])o1	ZINC000833312038	601826072	/nfs/dbraw/zinc/82/60/72/601826072.db2.gz	IDYRQBCZLCWBDY-GORDUTHDSA-N	-2	0	276.219	2.719	20	30		CFEDRL
O=C([O-])c1ccc([O-])c(C(=O)/C=C\c2cccc(O)c2)c1	ZINC000757472553	626553065	/nfs/dbraw/zinc/55/30/65/626553065.db2.gz	KFWLREHDJFTJHC-XQRVVYSFSA-N	-2	0	284.267	2.692	20	30		CFEDRL
COc1ccc(C(=O)/C=C\c2cccc(C(=O)[O-])c2)c([O-])c1	ZINC000774137334	627892573	/nfs/dbraw/zinc/89/25/73/627892573.db2.gz	UXJRZEHMPBSCTQ-YVMONPNESA-N	-2	0	298.294	2.995	20	30		CFEDRL
COc1cccc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2[O-])c1	ZINC000806558977	630811953	/nfs/dbraw/zinc/81/19/53/630811953.db2.gz	RBPHUWBLNHOXPS-VMPITWQZSA-N	-2	0	298.294	2.995	20	30		CFEDRL
O=C(C=Cc1cc([O-])ccc1[N+](=O)[O-])c1sccc1[O-]	ZINC000193147691	650628400	/nfs/dbraw/zinc/62/84/00/650628400.db2.gz	HTQREVIXLRYIBK-DAFODLJHSA-N	-2	0	291.284	2.964	20	30		CFEDRL
N#Cc1ccc(-c2c(C(=O)[O-])cccc2C(=O)[O-])c(F)c1	ZINC001236526522	778861098	/nfs/dbraw/zinc/86/10/98/778861098.db2.gz	VTDWHNDKEVKVOE-UHFFFAOYSA-N	-2	0	285.230	2.761	20	30		CFEDRL
N#CCc1c(F)cccc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC001242163773	781310396	/nfs/dbraw/zinc/31/03/96/781310396.db2.gz	KTDMEETXMCYRQM-UHFFFAOYSA-N	-2	0	299.257	2.955	20	30		CFEDRL
COc1cccc(-c2c(C(=O)[O-])cccc2C(=O)[O-])c1C#N	ZINC001242298868	781378917	/nfs/dbraw/zinc/37/89/17/781378917.db2.gz	DWAVWCVUORBDER-UHFFFAOYSA-N	-2	0	297.266	2.630	20	30		CFEDRL
O=C([O-])c1ccccc1NN=Cc1cc(F)c([O-])c(F)c1	ZINC000749858958	574312893	/nfs/dbraw/zinc/31/28/93/574312893.db2.gz	LXYFOUYQOVPFKP-UHFFFAOYSA-N	-2	0	292.241	2.815	20	30		CFEDRL
CCCCC[C@@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])C(=O)[O-]	ZINC000829312628	601365211	/nfs/dbraw/zinc/36/52/11/601365211.db2.gz	XIKVRJRADXWGRL-KMHUVPDISA-N	-2	0	294.307	2.753	20	30		CFEDRL
O=C([O-])c1ccc(NN=Cc2cccc(C(=O)[O-])c2)cc1	ZINC000814680777	632106691	/nfs/dbraw/zinc/10/66/91/632106691.db2.gz	HLWLRPWPWSCBQW-UHFFFAOYSA-N	-2	0	284.271	2.529	20	30		CFEDRL
CC(CC1(C(=O)[O-])CCC1)N=Nc1ccccc1C(=O)[O-]	ZINC000814768973	632121031	/nfs/dbraw/zinc/12/10/31/632121031.db2.gz	QRZMAYKLTLBRHJ-UHFFFAOYSA-N	-2	0	290.319	2.818	20	30		CFEDRL
O=C(/C=C\c1ccc([O-])c([N+](=O)[O-])c1)c1ccccc1[O-]	ZINC000255324786	770588926	/nfs/dbraw/zinc/58/89/26/770588926.db2.gz	CWPCFVZPCFAWSO-ALCCZGGFSA-N	-2	0	285.255	2.902	20	30		CFEDRL
C=CC[C@@H](C)Oc1ccc(OP(=O)([O-])[O-])cc1	ZINC001234335077	778210763	/nfs/dbraw/zinc/21/07/63/778210763.db2.gz	FPLCARHPOPBRJH-SECBINFHSA-N	-2	0	258.210	2.502	20	30		CFEDRL
Cc1ccc(C#N)cc1-c1c(C(=O)[O-])cccc1C(=O)[O-]	ZINC001242543991	781582451	/nfs/dbraw/zinc/58/24/51/781582451.db2.gz	PNJGWZOWAWZGQN-UHFFFAOYSA-N	-2	0	281.267	2.930	20	30		CFEDRL
O=C([O-])c1ccc(/C=C/C(=O)c2ccccc2[O-])cc1	ZINC000005549049	170112128	/nfs/dbraw/zinc/11/21/28/170112128.db2.gz	JOALTNNELYVHQD-JXMROGBWSA-N	-2	0	268.268	2.987	20	30		CFEDRL
O=C([O-])c1occc1/C=C/C(=O)c1ccc(F)cc1[O-]	ZINC000833094820	601826027	/nfs/dbraw/zinc/82/60/27/601826027.db2.gz	KZEWUAIKIZHIPG-DAFODLJHSA-N	-2	0	276.219	2.719	20	30		CFEDRL
N#Cc1cccc(/C=C/C(=O)c2cc(C(=O)[O-])ccc2[O-])c1	ZINC000757473818	626553155	/nfs/dbraw/zinc/55/31/55/626553155.db2.gz	PYTKRDLQNKOQBT-GQCTYLIASA-N	-2	0	293.278	2.858	20	30		CFEDRL
Cc1noc(C)c1/C=C/C(=O)c1ccc(C(=O)[O-])cc1[O-]	ZINC000806558689	630810905	/nfs/dbraw/zinc/81/09/05/630810905.db2.gz	JEQNJFIKNMIURN-AATRIKPKSA-N	-2	0	287.271	2.591	20	30		CFEDRL
O=C([O-])c1ccc([O-])c(C(=O)/C=C/c2ccccc2)c1	ZINC000004766802	631724585	/nfs/dbraw/zinc/72/45/85/631724585.db2.gz	GIUGEYJJYYXIFU-SOFGYWHQSA-N	-2	0	268.268	2.987	20	30		CFEDRL
CC(CC1(C(=O)[O-])CCC1)N=Nc1ccc(C(=O)[O-])cc1	ZINC000814680761	632107162	/nfs/dbraw/zinc/10/71/62/632107162.db2.gz	HBVZBFJOVHCCPI-UHFFFAOYSA-N	-2	0	290.319	2.818	20	30		CFEDRL
C=C[C@@H](CCC)Oc1ccc(OP(=O)([O-])[O-])cc1	ZINC001234331849	778208923	/nfs/dbraw/zinc/20/89/23/778208923.db2.gz	KHVFEZGDEAYRJZ-JTQLQIEISA-N	-2	0	272.237	2.892	20	30		CFEDRL
O=C([O-])c1ccc(/C=C\C(=O)c2csc(C(=O)[O-])c2)o1	ZINC000739216827	574200938	/nfs/dbraw/zinc/20/09/38/574200938.db2.gz	VOEWRQVZGZAESF-IWQZZHSRSA-N	-2	0	292.268	2.634	20	30		CFEDRL
O=C([O-])c1ccc(C(=O)/C=C\c2ccc(F)nc2)c([O-])c1	ZINC000806558743	617719177	/nfs/dbraw/zinc/71/91/77/617719177.db2.gz	KKAFRCPOOFTJMO-KTAJNNJTSA-N	-2	0	287.246	2.521	20	30		CFEDRL
C=CCCC[C@H](NC(=O)c1ccc([O-])c(Cl)c1)C(=O)[O-]	ZINC000910913969	622486381	/nfs/dbraw/zinc/48/63/81/622486381.db2.gz	AHPPZRBUVYJSGE-NSHDSACASA-N	-2	0	297.738	2.585	20	30		CFEDRL
COc1cccc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2[O-])c1	ZINC000806558978	630812619	/nfs/dbraw/zinc/81/26/19/630812619.db2.gz	RBPHUWBLNHOXPS-YVMONPNESA-N	-2	0	298.294	2.995	20	30		CFEDRL
O=C(C=Cc1ccc([N+](=O)[O-])c([O-])c1)c1sccc1[O-]	ZINC000588577156	775107286	/nfs/dbraw/zinc/10/72/86/775107286.db2.gz	YUPUHOXASJJQOQ-RQOWECAXSA-N	-2	0	291.284	2.964	20	30		CFEDRL
N#CC1CCC(Oc2ccc(OP(=O)([O-])[O-])cc2)CC1	ZINC001234334504	778210098	/nfs/dbraw/zinc/21/00/98/778210098.db2.gz	COOXFNGSWCYCRR-UHFFFAOYSA-N	-2	0	297.247	2.619	20	30		CFEDRL
N=C(Nc1cc([S-])cc([S-])c1)c1nccs1	ZINC001168280892	778387583	/nfs/dbraw/zinc/38/75/83/778387583.db2.gz	VUIYARVWMVFHKS-UHFFFAOYSA-N	-2	0	267.404	2.758	20	30		CFEDRL
Cc1oc(C)c(Oc2c([O-])cc(Cl)cc2F)c1[O-]	ZINC001234448549	779229714	/nfs/dbraw/zinc/22/97/14/779229714.db2.gz	UOUQPRUQAWAYAJ-YFKPBYRVSA-N	-2	0	272.659	2.783	20	30		CFEDRL
N#Cc1c(F)cccc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC001242160782	781308943	/nfs/dbraw/zinc/30/89/43/781308943.db2.gz	LJPWZCRUSWVIFV-UHFFFAOYSA-N	-2	0	285.230	2.761	20	30		CFEDRL
C#Cc1ccc(-c2c(C(=O)[O-])cccc2C(=O)[O-])cc1	ZINC001242293514	781372775	/nfs/dbraw/zinc/37/27/75/781372775.db2.gz	JBKSSRDTYNFVTP-UHFFFAOYSA-N	-2	0	266.252	2.731	20	30		CFEDRL
O=C([O-])c1csc(C=NNc2ccc(C(=O)[O-])cc2)c1	ZINC000755455008	574163163	/nfs/dbraw/zinc/16/31/63/574163163.db2.gz	JQVCIJWFSPMPFL-UHFFFAOYSA-N	-2	0	290.300	2.591	20	30		CFEDRL
CC[C@H](/N=C\c1cc(Cl)cc(Cl)c1[O-])C(=O)[O-]	ZINC000828900562	601498562	/nfs/dbraw/zinc/49/85/62/601498562.db2.gz	HYHSAAMPJNMPRL-HXNQLNRQSA-N	-2	0	276.119	2.981	20	30		CFEDRL
O=C([O-])c1ccc(/C=C/C(=O)c2ccc(F)cc2[O-])o1	ZINC000833312194	601825975	/nfs/dbraw/zinc/82/59/75/601825975.db2.gz	LLDSFIXZRYREJZ-GORDUTHDSA-N	-2	0	276.219	2.719	20	30		CFEDRL
Cc1ccc(C(=O)/C=C/c2ccc(C(=O)[O-])[nH]2)c([O-])c1	ZINC000832911041	601826016	/nfs/dbraw/zinc/82/60/16/601826016.db2.gz	JIFGROQWTMIESL-QPJJXVBHSA-N	-2	0	271.272	2.623	20	30		CFEDRL
O=C([O-])c1ccc(NN=Cc2cc(F)c([O-])c(F)c2)cc1	ZINC000749850326	618442048	/nfs/dbraw/zinc/44/20/48/618442048.db2.gz	KOZTVWFYFFTPIB-UHFFFAOYSA-N	-2	0	292.241	2.815	20	30		CFEDRL
O=C(/C=C/c1ccc([N+](=O)[O-])c([O-])c1)c1ccccc1[O-]	ZINC000156599931	622948006	/nfs/dbraw/zinc/94/80/06/622948006.db2.gz	RCCFEVKSJXABDP-SOFGYWHQSA-N	-2	0	285.255	2.902	20	30		CFEDRL
N#Cc1ccc([O-])c(NC(=O)c2c([O-])cccc2Cl)c1	ZINC000770130999	627503847	/nfs/dbraw/zinc/50/38/47/627503847.db2.gz	ZCRMXCNKFIRXKE-UHFFFAOYSA-N	-2	0	288.690	2.875	20	30		CFEDRL
N#Cc1ccc([O-])c(NC(=O)c2cccc(Cl)c2[O-])c1	ZINC000775793991	628068940	/nfs/dbraw/zinc/06/89/40/628068940.db2.gz	SSDGOUAQSOJVRQ-UHFFFAOYSA-N	-2	0	288.690	2.875	20	30		CFEDRL
CCc1oc(C)c([O-])c1Oc1cc(C(C)=O)ccc1[O-]	ZINC001225998852	775663784	/nfs/dbraw/zinc/66/37/84/775663784.db2.gz	QGAMOPQTJBWVRV-VIFPVBQESA-N	-2	0	276.288	2.583	20	30		CFEDRL
N#CCc1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c(F)c1	ZINC001242161294	781308579	/nfs/dbraw/zinc/30/85/79/781308579.db2.gz	SRNNJKHMIVLOCP-UHFFFAOYSA-N	-2	0	299.257	2.955	20	30		CFEDRL
Cc1cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)nc(C)c1C#N	ZINC001242160028	781308692	/nfs/dbraw/zinc/30/86/92/781308692.db2.gz	BZTTUDZHEBJXLX-UHFFFAOYSA-N	-2	0	296.282	2.634	20	30		CFEDRL
N#CCc1ccc(F)c(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1	ZINC001242162172	781309375	/nfs/dbraw/zinc/30/93/75/781309375.db2.gz	BMTDEUZUBSWZPS-UHFFFAOYSA-N	-2	0	299.257	2.955	20	30		CFEDRL
N#Cc1cc(F)ccc1-c1c(C(=O)[O-])cccc1C(=O)[O-]	ZINC001242582422	781615666	/nfs/dbraw/zinc/61/56/66/781615666.db2.gz	ACIBLXITGFRCKQ-UHFFFAOYSA-N	-2	0	285.230	2.761	20	30		CFEDRL
CC(=NNc1cccc(C(=O)[O-])c1)c1ccc(C(=O)[O-])cc1	ZINC000825808810	604632899	/nfs/dbraw/zinc/63/28/99/604632899.db2.gz	DWPOJONGAIRTLQ-UHFFFAOYSA-N	-2	0	298.298	2.919	20	30		CFEDRL
C=CCCC[C@@H](NC(=O)c1ccc([O-])c(Cl)c1)C(=O)[O-]	ZINC000910913968	622486272	/nfs/dbraw/zinc/48/62/72/622486272.db2.gz	AHPPZRBUVYJSGE-LLVKDONJSA-N	-2	0	297.738	2.585	20	30		CFEDRL
O=C([O-])c1cccc(C=NNc2ccccc2C(=O)[O-])c1	ZINC000814768676	632121058	/nfs/dbraw/zinc/12/10/58/632121058.db2.gz	IGUBSQQUGMFZAQ-UHFFFAOYSA-N	-2	0	284.271	2.529	20	30		CFEDRL
CCC1=C(Oc2cc(F)ccc2O)C(=O)[C@@H](C)O1	ZINC001230291901	776973592	/nfs/dbraw/zinc/97/35/92/776973592.db2.gz	XXGAHCRKKOMDMK-SSDOTTSWSA-N	-2	0	252.241	2.520	20	30		CFEDRL
C=CC[C@@H](C=C)Oc1ccc(OP(=O)([O-])[O-])cc1	ZINC001234334243	778210992	/nfs/dbraw/zinc/21/09/92/778210992.db2.gz	FKWWIVRCAKJCPY-SNVBAGLBSA-N	-2	0	270.221	2.668	20	30		CFEDRL
N#Cc1ccc([O-])c(NC(=O)c2ccc([O-])c(Cl)c2)c1	ZINC000176399231	779123616	/nfs/dbraw/zinc/12/36/16/779123616.db2.gz	PNIGRHVCZUMBHB-UHFFFAOYSA-N	-2	0	288.690	2.875	20	30		CFEDRL
C[C@@H](C/N=C/c1cc(Cl)cc(Cl)c1[O-])C(=O)[O-]	ZINC000736583863	574061610	/nfs/dbraw/zinc/06/16/10/574061610.db2.gz	CLXRTOKNEFGWIT-JHKKWMAKSA-N	-2	0	276.119	2.839	20	30		CFEDRL
O=C([O-])c1occc1/C=C/C(=O)c1ccc([O-])c(F)c1	ZINC000739214625	574376880	/nfs/dbraw/zinc/37/68/80/574376880.db2.gz	FZQXGAHZFDIRNA-HNQUOIGGSA-N	-2	0	276.219	2.719	20	30		CFEDRL
O=C([O-])c1ccc(/C=C/C(=O)c2ccc(O)cc2[O-])cc1	ZINC000757471309	601825351	/nfs/dbraw/zinc/82/53/51/601825351.db2.gz	ASDSCINYCFUUIX-FPYGCLRLSA-N	-2	0	284.267	2.692	20	30		CFEDRL
O=C(/C=C\c1cccc([N+](=O)[O-])c1)c1ccc(O)cc1[O-]	ZINC000225222233	623033508	/nfs/dbraw/zinc/03/35/08/623033508.db2.gz	CNGCIBKBGQELBI-DAXSKMNVSA-N	-2	0	285.255	2.902	20	30		CFEDRL
O=C([O-])c1ccc(N=NC2CCC(C(=O)[O-])CC2)c(F)c1	ZINC000835008070	625954791	/nfs/dbraw/zinc/95/47/91/625954791.db2.gz	DQTXISXGZSPUOM-UHFFFAOYSA-N	-2	0	294.282	2.567	20	30		CFEDRL
O=C([O-])COc1cccc(/C=C\C(=O)c2ccccc2[O-])c1	ZINC000757475229	626553150	/nfs/dbraw/zinc/55/31/50/626553150.db2.gz	QRLOSTCMDHOTRA-HJWRWDBZSA-N	-2	0	298.294	2.752	20	30		CFEDRL
C=CC[C@H](Oc1cc(O)cc([O-])c1[N+](=O)[O-])C(C)C	ZINC001228974220	776674363	/nfs/dbraw/zinc/67/43/63/776674363.db2.gz	RVPDQQKZDBOILK-NSHDSACASA-N	-2	0	267.281	2.986	20	30		CFEDRL
CC1(C)CC(=O)C=C(c2c(C(=O)[O-])cccc2C(=O)[O-])C1	ZINC001242316908	781394569	/nfs/dbraw/zinc/39/45/69/781394569.db2.gz	LGEUYXXSQFCVPQ-UHFFFAOYSA-N	-2	0	288.299	2.856	20	30		CFEDRL
O=C([O-])c1ccc(/C=C/C(=O)c2ccc([O-])c(F)c2)o1	ZINC000739215503	574201006	/nfs/dbraw/zinc/20/10/06/574201006.db2.gz	KBTAWLOCRAZUQP-GORDUTHDSA-N	-2	0	276.219	2.719	20	30		CFEDRL
COc1ccc(C(=O)/C=C/c2ccc(C(=O)[O-])o2)c([O-])c1	ZINC000832157749	601825679	/nfs/dbraw/zinc/82/56/79/601825679.db2.gz	UJKIBXARXHJCFF-ZZXKWVIFSA-N	-2	0	288.255	2.588	20	30		CFEDRL
Cc1ccc(C(=O)/C=C\c2ccc(C(=O)[O-])o2)c([O-])c1	ZINC000832910745	601825981	/nfs/dbraw/zinc/82/59/81/601825981.db2.gz	CXTKSIJGDBGWTO-UTCJRWHESA-N	-2	0	272.256	2.888	20	30		CFEDRL
Cc1ccc(C(=O)/C=C/c2c[nH]c(C(=O)[O-])c2)c([O-])c1	ZINC000832911105	601826102	/nfs/dbraw/zinc/82/61/02/601826102.db2.gz	KWLKWRHQYPHDCF-HWKANZROSA-N	-2	0	271.272	2.623	20	30		CFEDRL
Cc1ncsc1/C=C\C(=O)c1cc(C(=O)[O-])ccc1[O-]	ZINC000757472439	626553042	/nfs/dbraw/zinc/55/30/42/626553042.db2.gz	HNDDXYITQZEVFG-PLNGDYQASA-N	-2	0	289.312	2.751	20	30		CFEDRL
CC(=NNc1ccc(C(=O)[O-])cc1)c1cccc(C(=O)[O-])c1	ZINC000764642026	627079163	/nfs/dbraw/zinc/07/91/63/627079163.db2.gz	VXZANOFTWVOQMV-UHFFFAOYSA-N	-2	0	298.298	2.919	20	30		CFEDRL
O=C([O-])c1ccc([O-])c(C(=O)/C=C/c2ccc(F)nc2)c1	ZINC000777467282	628228855	/nfs/dbraw/zinc/22/88/55/628228855.db2.gz	KIEZHPXVLDYABM-DAFODLJHSA-N	-2	0	287.246	2.521	20	30		CFEDRL
COc1ccccc1/C=C\C(=O)c1ccc(C(=O)[O-])cc1[O-]	ZINC000806558881	630812448	/nfs/dbraw/zinc/81/24/48/630812448.db2.gz	OIXBXLMNCWDEIZ-CLFYSBASSA-N	-2	0	298.294	2.995	20	30		CFEDRL
CCc1oc(C)c([O-])c1Oc1cc([N+](=O)[O-])c(C)cc1[O-]	ZINC001229749952	776886092	/nfs/dbraw/zinc/88/60/92/776886092.db2.gz	ISDOIZGDLHCQOU-QMMMGPOBSA-N	-2	0	293.275	2.597	20	30		CFEDRL
N#CCOc1ccccc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC001242162694	781309549	/nfs/dbraw/zinc/30/95/49/781309549.db2.gz	JOCSVDGYWAIYID-UHFFFAOYSA-N	-2	0	297.266	2.652	20	30		CFEDRL
C[C@H](/N=C\c1cc(Cl)cc(Cl)c1[O-])C(=O)[O-]	ZINC000738217295	574160185	/nfs/dbraw/zinc/16/01/85/574160185.db2.gz	VXPOMBJKBXUQKO-OJUYWVBPSA-N	-2	0	262.092	2.591	20	30		CFEDRL
Cc1ccc(C(=O)/C=C/c2ccc(C(=O)[O-])o2)c([O-])c1	ZINC000832910746	601825960	/nfs/dbraw/zinc/82/59/60/601825960.db2.gz	CXTKSIJGDBGWTO-ZZXKWVIFSA-N	-2	0	272.256	2.888	20	30		CFEDRL
O=C([O-])c1occc1/C=C/C(=O)c1cc(F)ccc1[O-]	ZINC000833093821	601826038	/nfs/dbraw/zinc/82/60/38/601826038.db2.gz	BVOKZNWKJCPAAH-HNQUOIGGSA-N	-2	0	276.219	2.719	20	30		CFEDRL
O=C([O-])c1cc(/C=C/C(=O)c2cc(Cl)ccc2[O-])c[nH]1	ZINC000833298100	601826044	/nfs/dbraw/zinc/82/60/44/601826044.db2.gz	NJBMIGGLQHAJDX-HNQUOIGGSA-N	-2	0	291.690	2.968	20	30		CFEDRL
O=C([O-])c1occc1/C=C\C(=O)c1ccccc1[O-]	ZINC000833095396	601826105	/nfs/dbraw/zinc/82/61/05/601826105.db2.gz	SMZNQHFXUATEMH-WAYWQWQTSA-N	-2	0	258.229	2.580	20	30		CFEDRL
O=C([O-])c1cc(/C=C\C(=O)c2cc(F)cc(F)c2[O-])c[nH]1	ZINC000833297409	601826126	/nfs/dbraw/zinc/82/61/26/601826126.db2.gz	GADRCXBHTGTADY-UPHRSURJSA-N	-2	0	293.225	2.593	20	30		CFEDRL
O=C([O-])c1ccc(C(=O)/C=C/c2ccc(F)nc2)c([O-])c1	ZINC000806558744	617719217	/nfs/dbraw/zinc/71/92/17/617719217.db2.gz	KKAFRCPOOFTJMO-ORCRQEGFSA-N	-2	0	287.246	2.521	20	30		CFEDRL
N#Cc1csc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2[O-])c1	ZINC000806561511	617740045	/nfs/dbraw/zinc/74/00/45/617740045.db2.gz	VOEHQZPCZZKYDS-RQOWECAXSA-N	-2	0	299.307	2.920	20	30		CFEDRL
O=C(/C=C\c1cc([O-])ccc1[N+](=O)[O-])c1ccccc1[O-]	ZINC000255741062	618274607	/nfs/dbraw/zinc/27/46/07/618274607.db2.gz	NRMVAZMTMGFZDD-YVMONPNESA-N	-2	0	285.255	2.902	20	30		CFEDRL
O=C(/C=C/c1cc([O-])ccc1[N+](=O)[O-])c1ccccc1[O-]	ZINC000157320039	623029654	/nfs/dbraw/zinc/02/96/54/623029654.db2.gz	NRMVAZMTMGFZDD-VMPITWQZSA-N	-2	0	285.255	2.902	20	30		CFEDRL
N#Cc1ccc([O-])c(NC(=O)c2ccc(Cl)cc2[O-])c1	ZINC000091696014	626161005	/nfs/dbraw/zinc/16/10/05/626161005.db2.gz	VNNHPJUOFBTJJL-UHFFFAOYSA-N	-2	0	288.690	2.875	20	30		CFEDRL
Cc1noc(C)c1/C=C/C(=O)c1cc(C(=O)[O-])ccc1[O-]	ZINC000757473671	626553259	/nfs/dbraw/zinc/55/32/59/626553259.db2.gz	NULQPNRRZZKEEE-GQCTYLIASA-N	-2	0	287.271	2.591	20	30		CFEDRL
Cc1nc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)ccc1CC#N	ZINC001242160206	781308473	/nfs/dbraw/zinc/30/84/73/781308473.db2.gz	GGPOMEXDUQSGJE-UHFFFAOYSA-N	-2	0	296.282	2.520	20	30		CFEDRL
N#CCc1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1	ZINC001242161343	781308832	/nfs/dbraw/zinc/30/88/32/781308832.db2.gz	UPYGVNVZKSOXCS-UHFFFAOYSA-N	-2	0	281.267	2.816	20	30		CFEDRL
N#CCc1ccc(F)cc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC001242160348	781309008	/nfs/dbraw/zinc/30/90/08/781309008.db2.gz	BOWWODWVPWCCKF-UHFFFAOYSA-N	-2	0	299.257	2.955	20	30		CFEDRL
Cc1ccc(-c2c(C(=O)[O-])cccc2C(=O)[O-])c(C#N)c1	ZINC001242591829	781624250	/nfs/dbraw/zinc/62/42/50/781624250.db2.gz	GRHJWHBIANTBNQ-UHFFFAOYSA-N	-2	0	281.267	2.930	20	30		CFEDRL
C[C@H](C/N=C/c1cc(Cl)cc(Cl)c1[O-])C(=O)[O-]	ZINC000736583860	574061567	/nfs/dbraw/zinc/06/15/67/574061567.db2.gz	CLXRTOKNEFGWIT-DXOCJUPFSA-N	-2	0	276.119	2.839	20	30		CFEDRL
O=C([O-])c1ccc(/C=C/C(=O)c2csc(C(=O)[O-])c2)o1	ZINC000739216824	574200968	/nfs/dbraw/zinc/20/09/68/574200968.db2.gz	VOEWRQVZGZAESF-HNQUOIGGSA-N	-2	0	292.268	2.634	20	30		CFEDRL
O=C([O-])c1cccc(NN=Cc2cc(F)c([O-])c(F)c2)c1	ZINC000749853248	574312654	/nfs/dbraw/zinc/31/26/54/574312654.db2.gz	FZXFWEIMTREOCR-UHFFFAOYSA-N	-2	0	292.241	2.815	20	30		CFEDRL
O=C([O-])c1occc1/C=C/C(=O)c1cc(F)cc(F)c1[O-]	ZINC000833095635	601825972	/nfs/dbraw/zinc/82/59/72/601825972.db2.gz	WHBBRTCNACTKSV-OWOJBTEDSA-N	-2	0	294.209	2.858	20	30		CFEDRL
N#Cc1csc(/C=C\C(=O)c2cc(C(=O)[O-])ccc2[O-])c1	ZINC000757473051	626553048	/nfs/dbraw/zinc/55/30/48/626553048.db2.gz	MNQYSVSYYKIYBS-RQOWECAXSA-N	-2	0	299.307	2.920	20	30		CFEDRL
O=C([O-])COc1ccc(/C=C/C(=O)c2ccccc2[O-])cc1	ZINC000757474906	626553196	/nfs/dbraw/zinc/55/31/96/626553196.db2.gz	NHSNAEWLKDJTLJ-JXMROGBWSA-N	-2	0	298.294	2.752	20	30		CFEDRL
CC(=NNc1ccc(C(=O)[O-])cc1)c1ccc(C(=O)[O-])o1	ZINC000772991808	627765698	/nfs/dbraw/zinc/76/56/98/627765698.db2.gz	WCIWQQDQHRJICN-UHFFFAOYSA-N	-2	0	288.259	2.512	20	30		CFEDRL
O=C([O-])c1csc(/C=C/C(=O)c2ccc(O)cc2[O-])c1	ZINC000782206806	628614432	/nfs/dbraw/zinc/61/44/32/628614432.db2.gz	KHVCYMPWVPLTMP-DUXPYHPUSA-N	-2	0	290.296	2.754	20	30		CFEDRL
N#Cc1ccc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2[O-])cc1	ZINC000806559274	630812392	/nfs/dbraw/zinc/81/23/92/630812392.db2.gz	YKAYQXVFEORNOO-YVMONPNESA-N	-2	0	293.278	2.858	20	30		CFEDRL
N#Cc1ccc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2[O-])cc1	ZINC000806559272	630812739	/nfs/dbraw/zinc/81/27/39/630812739.db2.gz	YKAYQXVFEORNOO-VMPITWQZSA-N	-2	0	293.278	2.858	20	30		CFEDRL
C#C[C@@H](CCCC)Oc1cc(O)cc([O-])c1[N+](=O)[O-]	ZINC001228975324	776673940	/nfs/dbraw/zinc/67/39/40/776673940.db2.gz	ZMLKINMLQFLBSU-JTQLQIEISA-N	-2	0	265.265	2.577	20	30		CFEDRL
N#CCc1cccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1	ZINC001242160388	781308464	/nfs/dbraw/zinc/30/84/64/781308464.db2.gz	CIMIJGOMEKQALI-UHFFFAOYSA-N	-2	0	281.267	2.816	20	30		CFEDRL
N#Cc1cc(O)cc(C(=O)Nc2ccc(Cl)cc2O)c1	ZINC000589195116	348818080	/nfs/dbraw/zinc/81/80/80/348818080.db2.gz	NTULBKBGWXPTFN-UHFFFAOYSA-N	-2	0	288.690	2.875	20	30		CFEDRL
O=C([O-])c1cc(C(=O)/C=C/c2ccoc2C(=O)[O-])cs1	ZINC000739217230	574200969	/nfs/dbraw/zinc/20/09/69/574200969.db2.gz	XTJVXMRKBCDTOJ-OWOJBTEDSA-N	-2	0	292.268	2.634	20	30		CFEDRL
O=C([O-])c1occc1/C=C/C(=O)c1ccccc1[O-]	ZINC000833095394	601826109	/nfs/dbraw/zinc/82/61/09/601826109.db2.gz	SMZNQHFXUATEMH-AATRIKPKSA-N	-2	0	258.229	2.580	20	30		CFEDRL
O=C([O-])c1ccc(/C=C/C(=O)c2cc(F)cc(F)c2[O-])o1	ZINC000833312502	601826400	/nfs/dbraw/zinc/82/64/00/601826400.db2.gz	QCYYYMIPJMFVHX-HNQUOIGGSA-N	-2	0	294.209	2.858	20	30		CFEDRL
N#Cc1cccc(/C=C\C(=O)c2ccc(O)cc2[O-])c1	ZINC000255539495	618096831	/nfs/dbraw/zinc/09/68/31/618096831.db2.gz	VXNQJQWFBQQGDA-DAXSKMNVSA-N	-2	0	265.268	2.866	20	30		CFEDRL
Cc1noc(C)c1/C=C\C(=O)c1cc(C(=O)[O-])ccc1[O-]	ZINC000757473673	626553173	/nfs/dbraw/zinc/55/31/73/626553173.db2.gz	NULQPNRRZZKEEE-XQRVVYSFSA-N	-2	0	287.271	2.591	20	30		CFEDRL
N#CC1(c2ccc(-c3ccc(P(=O)([O-])[O-])cc3)cc2)CC1	ZINC001243423037	782191141	/nfs/dbraw/zinc/19/11/41/782191141.db2.gz	BCBBGTUYHCWPDW-UHFFFAOYSA-N	-2	0	299.266	2.712	20	30		CFEDRL
O=C([O-])c1cc(/C=C\C(=O)c2ccccc2[O-])ccc1O	ZINC000195769582	776168635	/nfs/dbraw/zinc/16/86/35/776168635.db2.gz	XITJTFZQALDITA-ALCCZGGFSA-N	-2	0	284.267	2.692	20	30		CFEDRL
CC#CC[C@H](CC)Oc1ccc(OP(=O)([O-])[O-])cc1	ZINC001234331295	778209255	/nfs/dbraw/zinc/20/92/55/778209255.db2.gz	DQTCZNCJVJJBPJ-NSHDSACASA-N	-2	0	284.248	2.729	20	30		CFEDRL
N#Cc1ccc(C(=O)[O-])nc1/C=C/c1ccc([O-])c(F)c1	ZINC000436528159	383829188	/nfs/dbraw/zinc/82/91/88/383829188.db2.gz	GNLVGARZTOBNHH-DAFODLJHSA-N	-2	0	284.246	2.667	20	30		CFEDRL
N#Cc1ccc(C(=O)[O-])nc1/C=C\c1ccc(C(=O)[O-])cc1	ZINC000356218163	303189041	/nfs/dbraw/zinc/18/90/41/303189041.db2.gz	LHKOQADHHDMQAS-CLTKARDFSA-N	-2	0	294.266	2.520	20	30		CFEDRL
CCCCC[C@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])C(=O)[O-]	ZINC000829312630	601365877	/nfs/dbraw/zinc/36/58/77/601365877.db2.gz	XIKVRJRADXWGRL-ZENNRRHLSA-N	-2	0	294.307	2.753	20	30		CFEDRL
O=C([O-])c1cc(/C=C/C(=O)c2cc(F)cc(F)c2[O-])c[nH]1	ZINC000833297406	601826028	/nfs/dbraw/zinc/82/60/28/601826028.db2.gz	GADRCXBHTGTADY-OWOJBTEDSA-N	-2	0	293.225	2.593	20	30		CFEDRL
N#Cc1ccc([O-])c(NC(=O)c2ccccc2NC(=O)[O-])c1	ZINC000833977597	605538997	/nfs/dbraw/zinc/53/89/97/605538997.db2.gz	QJNJBOVTYLHTLJ-UHFFFAOYSA-N	-2	0	297.270	2.606	20	30		CFEDRL
O=C([O-])c1ccc(N=NC2CCC(C(=O)[O-])CC2)cc1F	ZINC000835009260	625956305	/nfs/dbraw/zinc/95/63/05/625956305.db2.gz	PBJCUNZAJRAVHR-UHFFFAOYSA-N	-2	0	294.282	2.567	20	30		CFEDRL
O=C([O-])c1cccc(/C=C\C(=O)c2ccc(O)cc2[O-])c1	ZINC000774134887	627892997	/nfs/dbraw/zinc/89/29/97/627892997.db2.gz	GWKMAYXVUWXTOY-DAXSKMNVSA-N	-2	0	284.267	2.692	20	30		CFEDRL
O=C([O-])c1cc(C=CC(=O)c2sccc2[O-])ccc1O	ZINC000809158409	631091835	/nfs/dbraw/zinc/09/18/35/631091835.db2.gz	YGBILJLQHCKTPO-DUXPYHPUSA-N	-2	0	290.296	2.754	20	30		CFEDRL
Cc1c(N=NC2CCC(C(=O)[O-])CC2)cccc1C(=O)[O-]	ZINC000844623302	632266797	/nfs/dbraw/zinc/26/67/97/632266797.db2.gz	LMMDUOSAWXKXHF-UHFFFAOYSA-N	-2	0	290.319	2.736	20	30		CFEDRL
C=C[C@H](CCC)Oc1ccc(OP(=O)([O-])[O-])cc1	ZINC001234331850	778209334	/nfs/dbraw/zinc/20/93/34/778209334.db2.gz	KHVFEZGDEAYRJZ-SNVBAGLBSA-N	-2	0	272.237	2.892	20	30		CFEDRL
C#C[C@@H](CCCC)Oc1ccc(OP(=O)([O-])[O-])cc1	ZINC001234333783	778210781	/nfs/dbraw/zinc/21/07/81/778210781.db2.gz	ZFLICYDZYLHBNB-NSHDSACASA-N	-2	0	284.248	2.729	20	30		CFEDRL
Cc1oc(C)c(Oc2c([O-])cc(Cl)cc2F)c1[O-]	ZINC001234448548	779229513	/nfs/dbraw/zinc/22/95/13/779229513.db2.gz	UOUQPRUQAWAYAJ-RXMQYKEDSA-N	-2	0	272.659	2.783	20	30		CFEDRL
Cc1ccc(CC#N)c(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)n1	ZINC001242160816	781308671	/nfs/dbraw/zinc/30/86/71/781308671.db2.gz	QTSLFVRMVQNUOZ-UHFFFAOYSA-N	-2	0	296.282	2.520	20	30		CFEDRL
Cc1ccc(C(=O)/C=C\c2ccoc2C(=O)[O-])c([O-])c1	ZINC000832911009	601826047	/nfs/dbraw/zinc/82/60/47/601826047.db2.gz	HVYSUCXSAAHUKN-HYXAFXHYSA-N	-2	0	272.256	2.888	20	30		CFEDRL
N#Cc1csc(/C=C/C(=O)c2cc(C(=O)[O-])ccc2[O-])c1	ZINC000757473047	626553094	/nfs/dbraw/zinc/55/30/94/626553094.db2.gz	MNQYSVSYYKIYBS-DUXPYHPUSA-N	-2	0	299.307	2.920	20	30		CFEDRL
CC(=NNc1ccccc1C(=O)[O-])c1sccc1[O-]	ZINC000769777547	627473305	/nfs/dbraw/zinc/47/33/05/627473305.db2.gz	LEALLWRNKJETNF-UHFFFAOYSA-N	-2	0	276.317	2.988	20	30		CFEDRL
CCC(C)(C)CCS(=O)(=O)[N-]c1cc(C#N)ccc1[O-]	ZINC000872356924	641765813	/nfs/dbraw/zinc/76/58/13/641765813.db2.gz	IZQFTFLNKLSFBB-UHFFFAOYSA-N	-2	0	296.392	2.832	20	30		CFEDRL
Cc1cc(C#N)ccc1-c1c(C(=O)[O-])cccc1C(=O)[O-]	ZINC001242472894	781527943	/nfs/dbraw/zinc/52/79/43/781527943.db2.gz	MSBCVAOETNKXFY-UHFFFAOYSA-N	-2	0	281.267	2.930	20	30		CFEDRL
COc1ccc(C(=O)/C=C/c2ccoc2C(=O)[O-])c([O-])c1	ZINC000832157831	601825458	/nfs/dbraw/zinc/82/54/58/601825458.db2.gz	ZOTNJMYQKRRFJV-GORDUTHDSA-N	-2	0	288.255	2.588	20	30		CFEDRL
O=C([O-])c1occc1/C=C\C(=O)c1ccc(F)cc1[O-]	ZINC000833094821	601825952	/nfs/dbraw/zinc/82/59/52/601825952.db2.gz	KZEWUAIKIZHIPG-RJRFIUFISA-N	-2	0	276.219	2.719	20	30		CFEDRL
Cc1ncccc1/C=C/C(=O)c1cc(C(=O)[O-])ccc1[O-]	ZINC000757471394	626553032	/nfs/dbraw/zinc/55/30/32/626553032.db2.gz	BODGOLXECCGDLN-GQCTYLIASA-N	-2	0	283.283	2.690	20	30		CFEDRL
O=C([O-])c1ccc([O-])c(C(=O)/C=C\c2ccccc2)c1	ZINC000108113352	633459628	/nfs/dbraw/zinc/45/96/28/633459628.db2.gz	GIUGEYJJYYXIFU-VURMDHGXSA-N	-2	0	268.268	2.987	20	30		CFEDRL
CCC1=C(Oc2cc(F)ccc2O)C(=O)[C@H](C)O1	ZINC001230291902	776974165	/nfs/dbraw/zinc/97/41/65/776974165.db2.gz	XXGAHCRKKOMDMK-ZETCQYMHSA-N	-2	0	252.241	2.520	20	30		CFEDRL
O=C([O-])c1occc1/C=C\C(=O)c1cc(F)ccc1[O-]	ZINC000833093822	601825938	/nfs/dbraw/zinc/82/59/38/601825938.db2.gz	BVOKZNWKJCPAAH-IWQZZHSRSA-N	-2	0	276.219	2.719	20	30		CFEDRL
O=C([O-])c1ccc(/C=C/C(=O)c2cc(F)cc(F)c2[O-])[nH]1	ZINC000833312213	601825943	/nfs/dbraw/zinc/82/59/43/601825943.db2.gz	MHQKGHKIEYVRCC-DUXPYHPUSA-N	-2	0	293.225	2.593	20	30		CFEDRL
O=C1c2ccc([O-])cc2O/C1=C/c1cc([O-])ccc1[N+](=O)[O-]	ZINC000255373052	617688738	/nfs/dbraw/zinc/68/87/38/617688738.db2.gz	TZVLKCKUCXLRTG-MKMNVTDBSA-N	-2	0	299.238	2.622	20	30		CFEDRL
N#Cc1csc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2[O-])c1	ZINC000806561504	617740222	/nfs/dbraw/zinc/74/02/22/617740222.db2.gz	VOEHQZPCZZKYDS-DUXPYHPUSA-N	-2	0	299.307	2.920	20	30		CFEDRL
N#Cc1cccc(/C=C\C(=O)c2cc(C(=O)[O-])ccc2[O-])c1	ZINC000757473820	626553166	/nfs/dbraw/zinc/55/31/66/626553166.db2.gz	PYTKRDLQNKOQBT-XQRVVYSFSA-N	-2	0	293.278	2.858	20	30		CFEDRL
COc1ccc(C#N)cc1-c1c(C(=O)[O-])cccc1C(=O)[O-]	ZINC001236535319	778868317	/nfs/dbraw/zinc/86/83/17/778868317.db2.gz	BHNPWWMPOWUHAL-UHFFFAOYSA-N	-2	0	297.266	2.630	20	30		CFEDRL
C/C(=N\O)c1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1	ZINC001242164548	781310723	/nfs/dbraw/zinc/31/07/23/781310723.db2.gz	MVCALIQMLAIXJZ-RQZCQDPDSA-N	-2	0	299.282	2.948	20	30		CFEDRL
O=C([O-])c1cc(C(=O)/C=C\c2ccoc2C(=O)[O-])cs1	ZINC000739217232	574200996	/nfs/dbraw/zinc/20/09/96/574200996.db2.gz	XTJVXMRKBCDTOJ-UPHRSURJSA-N	-2	0	292.268	2.634	20	30		CFEDRL
Cc1ccc(C(=O)/C=C\c2ccc(C(=O)[O-])[nH]2)c([O-])c1	ZINC000832911040	601826068	/nfs/dbraw/zinc/82/60/68/601826068.db2.gz	JIFGROQWTMIESL-DAXSKMNVSA-N	-2	0	271.272	2.623	20	30		CFEDRL
C[C@@H](/N=C\c1cc(Cl)cc(Cl)c1[O-])C(=O)[O-]	ZINC000738947306	602096564	/nfs/dbraw/zinc/09/65/64/602096564.db2.gz	VXPOMBJKBXUQKO-ILPVMKRFSA-N	-2	0	262.092	2.591	20	30		CFEDRL
CC(=NNc1ccc(C(=O)[O-])cc1)c1ccc(C(=O)[O-])cc1	ZINC000825804614	604632782	/nfs/dbraw/zinc/63/27/82/604632782.db2.gz	OYSNTMKAKMLKGM-UHFFFAOYSA-N	-2	0	298.298	2.919	20	30		CFEDRL
O=C(/C=C/c1cc(F)c([O-])c(F)c1)c1ccc(O)cc1[O-]	ZINC000156637923	622952898	/nfs/dbraw/zinc/95/28/98/622952898.db2.gz	SPSPGYOTOKLILD-DAFODLJHSA-N	-2	0	292.237	2.978	20	30		CFEDRL
Cc1ncsc1/C=C/C(=O)c1cc(C(=O)[O-])ccc1[O-]	ZINC000757472440	626553050	/nfs/dbraw/zinc/55/30/50/626553050.db2.gz	HNDDXYITQZEVFG-SNAWJCMRSA-N	-2	0	289.312	2.751	20	30		CFEDRL
O=C([O-])COc1cccc(/C=C/C(=O)c2ccccc2[O-])c1	ZINC000757475228	626553239	/nfs/dbraw/zinc/55/32/39/626553239.db2.gz	QRLOSTCMDHOTRA-CMDGGOBGSA-N	-2	0	298.294	2.752	20	30		CFEDRL
COc1ccccc1/C=C/C(=O)c1cc(C(=O)[O-])ccc1[O-]	ZINC000757473716	626553244	/nfs/dbraw/zinc/55/32/44/626553244.db2.gz	ODYHKKYNLHNZEP-SOFGYWHQSA-N	-2	0	298.294	2.995	20	30		CFEDRL
CCC[C@H](CC)S(=O)(=O)[N-]c1cc(C#N)ccc1[O-]	ZINC000798247448	630173880	/nfs/dbraw/zinc/17/38/80/630173880.db2.gz	AKAWGYBLJNGLFJ-NSHDSACASA-N	-2	0	282.365	2.584	20	30		CFEDRL
N#CCc1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1F	ZINC001242160767	781309003	/nfs/dbraw/zinc/30/90/03/781309003.db2.gz	KKNDGOCMVNWQAD-UHFFFAOYSA-N	-2	0	299.257	2.955	20	30		CFEDRL
O=C([O-])c1cc(C(=O)[O-])cc(-c2cccc(/C=N/O)c2)c1	ZINC001242163275	781309354	/nfs/dbraw/zinc/30/93/54/781309354.db2.gz	RQPRNAVLVMGHSX-LZYBPNLTSA-N	-2	0	285.255	2.558	20	30		CFEDRL
N#CCc1cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)ccc1F	ZINC001242162932	781309568	/nfs/dbraw/zinc/30/95/68/781309568.db2.gz	NBYYZRMCMQDCOP-UHFFFAOYSA-N	-2	0	299.257	2.955	20	30		CFEDRL
O=C([O-])c1cccc(/C=C\C(=O)c2ccccc2[O-])c1	ZINC000216385120	619084621	/nfs/dbraw/zinc/08/46/21/619084621.db2.gz	GTVBOLIMAPUGAJ-HJWRWDBZSA-N	-2	0	268.268	2.987	20	30		CFEDRL
O=C([O-])c1ccc(C=NNc2ccc(C(=O)[O-])cc2)cc1	ZINC000916240918	624230093	/nfs/dbraw/zinc/23/00/93/624230093.db2.gz	VYZVVYDVNJXZCN-UHFFFAOYSA-N	-2	0	284.271	2.529	20	30		CFEDRL
O=C([O-])c1ccc([O-])c(C(=O)/C=C\c2ccc(F)nc2)c1	ZINC000777467290	628228633	/nfs/dbraw/zinc/22/86/33/628228633.db2.gz	KIEZHPXVLDYABM-RJRFIUFISA-N	-2	0	287.246	2.521	20	30		CFEDRL
O=C([O-])c1ccc(C(=O)/C=C\c2ccccc2)c([O-])c1	ZINC000806558396	630810680	/nfs/dbraw/zinc/81/06/80/630810680.db2.gz	BFNVMKVDVXPMSS-TWGQIWQCSA-N	-2	0	268.268	2.987	20	30		CFEDRL
C[C@H]1C(N=Nc2cccc(C(=O)[O-])c2)CC[C@@H]1CC(=O)[O-]	ZINC000814687591	632109157	/nfs/dbraw/zinc/10/91/57/632109157.db2.gz	MTNCLBHVIQBCBG-NXEZZACHSA-N	-2	0	290.319	2.674	20	30		CFEDRL
C#C[C@H](CCCC)Oc1cc(O)cc([O-])c1[N+](=O)[O-]	ZINC001228975329	776673882	/nfs/dbraw/zinc/67/38/82/776673882.db2.gz	ZMLKINMLQFLBSU-SNVBAGLBSA-N	-2	0	265.265	2.577	20	30		CFEDRL
COc1ccc(C(=O)/C=C\c2ccoc2C(=O)[O-])c([O-])c1	ZINC000832157829	601825665	/nfs/dbraw/zinc/82/56/65/601825665.db2.gz	ZOTNJMYQKRRFJV-DJWKRKHSSA-N	-2	0	288.255	2.588	20	30		CFEDRL
O=C(/C=C\c1ccc([N+](=O)[O-])c([O-])c1)c1ccccc1[O-]	ZINC000255199379	618092216	/nfs/dbraw/zinc/09/22/16/618092216.db2.gz	RCCFEVKSJXABDP-VURMDHGXSA-N	-2	0	285.255	2.902	20	30		CFEDRL
O=C([O-])c1ccc([O-])c(C(=O)/C=C/c2cccc(O)c2)c1	ZINC000757472552	626553130	/nfs/dbraw/zinc/55/31/30/626553130.db2.gz	KFWLREHDJFTJHC-GQCTYLIASA-N	-2	0	284.267	2.692	20	30		CFEDRL
CCC[C@@H](CC)S(=O)(=O)[N-]c1cc(C#N)ccc1[O-]	ZINC000798247447	630174068	/nfs/dbraw/zinc/17/40/68/630174068.db2.gz	AKAWGYBLJNGLFJ-LLVKDONJSA-N	-2	0	282.365	2.584	20	30		CFEDRL
Cc1noc(C)c1/C=C\C(=O)c1ccc(C(=O)[O-])cc1[O-]	ZINC000806558690	630810831	/nfs/dbraw/zinc/81/08/31/630810831.db2.gz	JEQNJFIKNMIURN-WAYWQWQTSA-N	-2	0	287.271	2.591	20	30		CFEDRL
C[C@@H]1C(N=Nc2ccccc2C(=O)[O-])CC[C@@H]1CC(=O)[O-]	ZINC000814768981	632120610	/nfs/dbraw/zinc/12/06/10/632120610.db2.gz	RCQWCSUEIJEIEG-VHSXEESVSA-N	-2	0	290.319	2.674	20	30		CFEDRL
N#CCc1cc(F)cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1	ZINC001242163988	781310735	/nfs/dbraw/zinc/31/07/35/781310735.db2.gz	VWEGGZZVLCDENT-UHFFFAOYSA-N	-2	0	299.257	2.955	20	30		CFEDRL
Cc1cc(=O)[n-]c(N=NC(C)[C@H](C)CCCCC(=O)[O-])n1	ZINC000814681313	604631356	/nfs/dbraw/zinc/63/13/56/604631356.db2.gz	GHNPVBDULDAFOR-SECBINFHSA-N	-2	0	294.355	2.560	20	30		CFEDRL
N#Cc1ccc(/C=C/C(=O)c2cc(C(=O)[O-])ccc2[O-])s1	ZINC000757472802	626553140	/nfs/dbraw/zinc/55/31/40/626553140.db2.gz	KQYIGBUGGVXPSN-GQCTYLIASA-N	-2	0	299.307	2.920	20	30		CFEDRL
COc1ccccc1/C=C\C(=O)c1cc(C(=O)[O-])ccc1[O-]	ZINC000757473727	626553271	/nfs/dbraw/zinc/55/32/71/626553271.db2.gz	ODYHKKYNLHNZEP-VURMDHGXSA-N	-2	0	298.294	2.995	20	30		CFEDRL
C[C@@H]1C(N=Nc2ccc(C(=O)[O-])cc2)CC[C@@H]1CC(=O)[O-]	ZINC000814681073	632107157	/nfs/dbraw/zinc/10/71/57/632107157.db2.gz	VXFOQOKEPDKMKM-GXSJLCMTSA-N	-2	0	290.319	2.674	20	30		CFEDRL
O=C([O-])c1cccc(C=NNc2cccc(C(=O)[O-])c2)c1	ZINC000814687808	632108759	/nfs/dbraw/zinc/10/87/59/632108759.db2.gz	UZONPAFKALZUPU-UHFFFAOYSA-N	-2	0	284.271	2.529	20	30		CFEDRL
O=C([O-])c1cccc(/C=C/C(=O)c2ccc(O)cc2[O-])c1	ZINC000126465990	643234195	/nfs/dbraw/zinc/23/41/95/643234195.db2.gz	GWKMAYXVUWXTOY-QPJJXVBHSA-N	-2	0	284.267	2.692	20	30		CFEDRL
C=C(C)CCc1ccccc1NCCOP(=O)([O-])[O-]	ZINC001168592731	780020202	/nfs/dbraw/zinc/02/02/02/780020202.db2.gz	XEDHWNVCVRQJQP-UHFFFAOYSA-N	-2	0	285.280	2.717	20	30		CFEDRL
Cc1cc(C#N)c(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)nc1C	ZINC001242159441	781308113	/nfs/dbraw/zinc/30/81/13/781308113.db2.gz	KTFAIJGBPVVVSG-UHFFFAOYSA-N	-2	0	296.282	2.634	20	30		CFEDRL
O=C([O-])c1csc(C=NNc2ccccc2C(=O)[O-])c1	ZINC000755600065	574170976	/nfs/dbraw/zinc/17/09/76/574170976.db2.gz	FJHPOTLTQIAUOY-UHFFFAOYSA-N	-2	0	290.300	2.591	20	30		CFEDRL
COc1ccc(C(=O)/C=C\c2ccc(C(=O)[O-])o2)c([O-])c1	ZINC000832157748	601825751	/nfs/dbraw/zinc/82/57/51/601825751.db2.gz	UJKIBXARXHJCFF-UTCJRWHESA-N	-2	0	288.255	2.588	20	30		CFEDRL
C[C@H]1C(N=Nc2ccc(C(=O)[O-])cc2)CC[C@@H]1CC(=O)[O-]	ZINC000814681075	632106827	/nfs/dbraw/zinc/10/68/27/632106827.db2.gz	VXFOQOKEPDKMKM-MWLCHTKSSA-N	-2	0	290.319	2.674	20	30		CFEDRL
C[C@@H]1C(N=Nc2cccc(C(=O)[O-])c2)CC[C@H]1CC(=O)[O-]	ZINC000814687592	632108991	/nfs/dbraw/zinc/10/89/91/632108991.db2.gz	MTNCLBHVIQBCBG-UWVGGRQHSA-N	-2	0	290.319	2.674	20	30		CFEDRL
O=C(C=Cc1ccc([N+](=O)[O-])c([O-])c1)c1sccc1[O-]	ZINC000189431901	650380806	/nfs/dbraw/zinc/38/08/06/650380806.db2.gz	YUPUHOXASJJQOQ-DUXPYHPUSA-N	-2	0	291.284	2.964	20	30		CFEDRL
N#Cc1cc(Nc2ccccc2C(=O)[O-])c([O-])cc1F	ZINC001210968457	770406778	/nfs/dbraw/zinc/40/67/78/770406778.db2.gz	HIKLVRRXBVSTOM-UHFFFAOYSA-N	-2	0	272.235	2.845	20	30		CFEDRL
C=C(C)C(=O)OCCNc1cc([S-])cc([S-])c1	ZINC001168073398	777937309	/nfs/dbraw/zinc/93/73/09/777937309.db2.gz	IEVVLCRRYLWISQ-UHFFFAOYSA-N	-2	0	269.391	2.795	20	30		CFEDRL
CC#CC[C@@H](CC)Oc1ccc(OP(=O)([O-])[O-])cc1	ZINC001234331294	778208740	/nfs/dbraw/zinc/20/87/40/778208740.db2.gz	DQTCZNCJVJJBPJ-LLVKDONJSA-N	-2	0	284.248	2.729	20	30		CFEDRL
C=C[C@@H](CC)Oc1ccc(OP(=O)([O-])[O-])cc1	ZINC001234332830	778209417	/nfs/dbraw/zinc/20/94/17/778209417.db2.gz	SOESLWVMJLUKRI-VIFPVBQESA-N	-2	0	258.210	2.502	20	30		CFEDRL
O=C1c2ccc([O-])cc2O/C1=C\c1cc([O-])ccc1[N+](=O)[O-]	ZINC000176380311	779118738	/nfs/dbraw/zinc/11/87/38/779118738.db2.gz	TZVLKCKUCXLRTG-NSIKDUERSA-N	-2	0	299.238	2.622	20	30		CFEDRL
N#Cc1ccc(C(=O)Nc2cccc(Cl)c2[O-])cc1[O-]	ZINC000188485458	382421903	/nfs/dbraw/zinc/42/19/03/382421903.db2.gz	RQEHURLWJGRMDW-UHFFFAOYSA-N	-2	0	288.690	2.875	20	30		CFEDRL
O=C([O-])c1ccc(/C=C\C(=O)c2ccccc2[O-])o1	ZINC000833311782	601825933	/nfs/dbraw/zinc/82/59/33/601825933.db2.gz	DBSFYEYJXIVUPA-ALCCZGGFSA-N	-2	0	258.229	2.580	20	30		CFEDRL
O=C([O-])c1ccc(C(=O)/C=C\c2cccc(O)c2)c([O-])c1	ZINC000806559893	630812101	/nfs/dbraw/zinc/81/21/01/630812101.db2.gz	GJQFYZFYSQUBJV-DAXSKMNVSA-N	-2	0	284.267	2.692	20	30		CFEDRL
C[C@H]1C(N=Nc2ccccc2C(=O)[O-])CC[C@H]1CC(=O)[O-]	ZINC000814768982	632120746	/nfs/dbraw/zinc/12/07/46/632120746.db2.gz	RCQWCSUEIJEIEG-ZJUUUORDSA-N	-2	0	290.319	2.674	20	30		CFEDRL
C=C(C)C(=O)NCCCNc1cc([S-])cc([S-])c1	ZINC001167670926	775152813	/nfs/dbraw/zinc/15/28/13/775152813.db2.gz	LRNXWNBXZRPJFZ-UHFFFAOYSA-N	-2	0	282.434	2.758	20	30		CFEDRL
N#CCc1cccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1F	ZINC001242160745	781308977	/nfs/dbraw/zinc/30/89/77/781308977.db2.gz	JDKBBMXAAAKDGE-UHFFFAOYSA-N	-2	0	299.257	2.955	20	30		CFEDRL
O=C([O-])c1cc(C(=O)[O-])cc(-c2ccccc2C=NO)c1	ZINC001242163620	781310592	/nfs/dbraw/zinc/31/05/92/781310592.db2.gz	CGGBVDAEQFFLJT-UHFFFAOYSA-N	-2	0	285.255	2.558	20	30		CFEDRL
C[C@H](/N=C/c1cc(Cl)cc(Cl)c1[O-])C(=O)[O-]	ZINC000738217296	574160081	/nfs/dbraw/zinc/16/00/81/574160081.db2.gz	VXPOMBJKBXUQKO-PLXUTZOBSA-N	-2	0	262.092	2.591	20	30		CFEDRL
O=C([O-])c1occc1/C=C\C(=O)c1ccc([O-])c(F)c1	ZINC000739214628	574376885	/nfs/dbraw/zinc/37/68/85/574376885.db2.gz	FZQXGAHZFDIRNA-IWQZZHSRSA-N	-2	0	276.219	2.719	20	30		CFEDRL
COc1ccc(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)c([O-])c1	ZINC000229802055	601825643	/nfs/dbraw/zinc/82/56/43/601825643.db2.gz	XDMXZBNIOIWILE-WTKPLQERSA-N	-2	0	298.294	2.995	20	30		CFEDRL
O=C([O-])c1ccc(/C=C/C(=O)c2cc(Cl)ccc2[O-])[nH]1	ZINC000833312674	601826590	/nfs/dbraw/zinc/82/65/90/601826590.db2.gz	SOMVUQATBCAUCA-ZZXKWVIFSA-N	-2	0	291.690	2.968	20	30		CFEDRL
Cc1cc(=O)[n-]c(N=NC(C)[C@@H](C)CCCCC(=O)[O-])n1	ZINC000814681314	604632195	/nfs/dbraw/zinc/63/21/95/604632195.db2.gz	GHNPVBDULDAFOR-VIFPVBQESA-N	-2	0	294.355	2.560	20	30		CFEDRL
C[C@H]1C(N=Nc2ccc(C(=O)[O-])cc2)CC[C@H]1CC(=O)[O-]	ZINC000814681074	632107016	/nfs/dbraw/zinc/10/70/16/632107016.db2.gz	VXFOQOKEPDKMKM-KOLCDFICSA-N	-2	0	290.319	2.674	20	30		CFEDRL
C[C@H]1C(N=Nc2ccccc2C(=O)[O-])CC[C@@H]1CC(=O)[O-]	ZINC000814768979	632121036	/nfs/dbraw/zinc/12/10/36/632121036.db2.gz	RCQWCSUEIJEIEG-NXEZZACHSA-N	-2	0	290.319	2.674	20	30		CFEDRL
O=C([O-])c1cccc(/C=C/C(=O)c2ccccc2[O-])c1	ZINC000126465513	643234507	/nfs/dbraw/zinc/23/45/07/643234507.db2.gz	GTVBOLIMAPUGAJ-CMDGGOBGSA-N	-2	0	268.268	2.987	20	30		CFEDRL
COc1cccc(/C=C/C(=O)c2cc(C(=O)[O-])ccc2[O-])c1	ZINC000584598976	348685002	/nfs/dbraw/zinc/68/50/02/348685002.db2.gz	QVQNNLOACIRDST-FNORWQNLSA-N	-2	0	298.294	2.995	20	30		CFEDRL
O=C([O-])c1ccc(/C=C\C(=O)c2ccc([O-])c(F)c2)o1	ZINC000739215501	574200944	/nfs/dbraw/zinc/20/09/44/574200944.db2.gz	KBTAWLOCRAZUQP-DJWKRKHSSA-N	-2	0	276.219	2.719	20	30		CFEDRL
O=C([O-])c1ccc(/C=C\C(=O)c2cc(F)ccc2[O-])o1	ZINC000833312037	601825884	/nfs/dbraw/zinc/82/58/84/601825884.db2.gz	IDYRQBCZLCWBDY-DJWKRKHSSA-N	-2	0	276.219	2.719	20	30		CFEDRL
N#Cc1ccc([O-])c(NC(=O)c2cccc(NC(=O)[O-])c2)c1	ZINC000831136598	603739563	/nfs/dbraw/zinc/73/95/63/603739563.db2.gz	FUZCRLMOQBEOTC-UHFFFAOYSA-N	-2	0	297.270	2.606	20	30		CFEDRL
CC(CC1(C(=O)[O-])CCC1)N=Nc1cccc(C(=O)[O-])c1	ZINC000814687871	632108745	/nfs/dbraw/zinc/10/87/45/632108745.db2.gz	WYBRQLNPIMUIKL-UHFFFAOYSA-N	-2	0	290.319	2.818	20	30		CFEDRL
N#CCc1ccccc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC001242161829	781309696	/nfs/dbraw/zinc/30/96/96/781309696.db2.gz	KABQCHSKDXKSFZ-UHFFFAOYSA-N	-2	0	281.267	2.816	20	30		CFEDRL
N#Cc1ccccc1-c1c(C(=O)[O-])cccc1C(=O)[O-]	ZINC001242714377	781715122	/nfs/dbraw/zinc/71/51/22/781715122.db2.gz	HGWOAIJPKDHEQI-UHFFFAOYSA-N	-2	0	267.240	2.622	20	30		CFEDRL
N#Cc1ccc(C(=O)[O-])nc1/C=C\c1cccc(C(=O)[O-])c1	ZINC000358179618	303189182	/nfs/dbraw/zinc/18/91/82/303189182.db2.gz	GLUJAOCSRBDFCY-XQRVVYSFSA-N	-2	0	294.266	2.520	20	30		CFEDRL
O=C([O-])c1ccc(/C=C/C(=O)c2ccccc2[O-])o1	ZINC000833311783	601825898	/nfs/dbraw/zinc/82/58/98/601825898.db2.gz	DBSFYEYJXIVUPA-FNORWQNLSA-N	-2	0	258.229	2.580	20	30		CFEDRL
O=C([O-])c1cc(/C=C/C(=O)c2ccccc2[O-])ccc1O	ZINC000095842918	618221202	/nfs/dbraw/zinc/22/12/02/618221202.db2.gz	XITJTFZQALDITA-FNORWQNLSA-N	-2	0	284.267	2.692	20	30		CFEDRL
O=C(C=Cc1ccc([O-])c([N+](=O)[O-])c1)c1sccc1[O-]	ZINC000184517471	618915723	/nfs/dbraw/zinc/91/57/23/618915723.db2.gz	OJBHKXPEICJOJH-DUXPYHPUSA-N	-2	0	291.284	2.964	20	30		CFEDRL
CC(=NNc1ccccc1C(=O)[O-])c1ccc(C(=O)[O-])o1	ZINC000773027281	627771085	/nfs/dbraw/zinc/77/10/85/627771085.db2.gz	YVUVTYYWWZONPX-UHFFFAOYSA-N	-2	0	288.259	2.512	20	30		CFEDRL
C[C@@H]1C(N=Nc2cccc(C(=O)[O-])c2)CC[C@@H]1CC(=O)[O-]	ZINC000814687593	632108636	/nfs/dbraw/zinc/10/86/36/632108636.db2.gz	MTNCLBHVIQBCBG-VHSXEESVSA-N	-2	0	290.319	2.674	20	30		CFEDRL
C#C[C@H](CC(C)C)Oc1ccc(OP(=O)([O-])[O-])cc1	ZINC001234331278	778209049	/nfs/dbraw/zinc/20/90/49/778209049.db2.gz	CYTZPNFCFDJLTB-LLVKDONJSA-N	-2	0	284.248	2.585	20	30		CFEDRL
C#C[C@@H](CC(C)C)Oc1ccc(OP(=O)([O-])[O-])cc1	ZINC001234331279	778209660	/nfs/dbraw/zinc/20/96/60/778209660.db2.gz	CYTZPNFCFDJLTB-NSHDSACASA-N	-2	0	284.248	2.585	20	30		CFEDRL
CCCCC[C@@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])C(=O)[O-]	ZINC000829312625	601365226	/nfs/dbraw/zinc/36/52/26/601365226.db2.gz	XIKVRJRADXWGRL-CDCQXCROSA-N	-2	0	294.307	2.753	20	30		CFEDRL
CC[C@H](/N=C/c1cc(Cl)cc(Cl)c1[O-])C(=O)[O-]	ZINC000828900567	601498714	/nfs/dbraw/zinc/49/87/14/601498714.db2.gz	HYHSAAMPJNMPRL-QFKBZZQOSA-N	-2	0	276.119	2.981	20	30		CFEDRL
CC(=NNc1ccccc1C(=O)[O-])c1ccc(C(=O)[O-])cc1	ZINC000825809561	605101088	/nfs/dbraw/zinc/10/10/88/605101088.db2.gz	ZOLLMEPMRVDKBZ-UHFFFAOYSA-N	-2	0	298.298	2.919	20	30		CFEDRL
C[C@@H]1C(N=Nc2ccc(C(=O)[O-])cc2)CC[C@H]1CC(=O)[O-]	ZINC000814681076	632106714	/nfs/dbraw/zinc/10/67/14/632106714.db2.gz	VXFOQOKEPDKMKM-ONGXEEELSA-N	-2	0	290.319	2.674	20	30		CFEDRL
C#C[C@H](CCCC)Oc1ccc(OP(=O)([O-])[O-])cc1	ZINC001234333782	778210239	/nfs/dbraw/zinc/21/02/39/778210239.db2.gz	ZFLICYDZYLHBNB-LLVKDONJSA-N	-2	0	284.248	2.729	20	30		CFEDRL
N#Cc1cc(-c2c(C(=O)[O-])cccc2C(=O)[O-])ccc1F	ZINC001235892784	778594178	/nfs/dbraw/zinc/59/41/78/778594178.db2.gz	AIUKUFNFADDAKM-UHFFFAOYSA-N	-2	0	285.230	2.761	20	30		CFEDRL
CC[C@@H](/N=C/c1cc(Cl)cc(Cl)c1[O-])C(=O)[O-]	ZINC000818261359	601498743	/nfs/dbraw/zinc/49/87/43/601498743.db2.gz	HYHSAAMPJNMPRL-SVOHMGGZSA-N	-2	0	276.119	2.981	20	30		CFEDRL
O=C([O-])c1ccc(/C=C\C(=O)c2ccc(F)cc2[O-])o1	ZINC000833312189	601825923	/nfs/dbraw/zinc/82/59/23/601825923.db2.gz	LLDSFIXZRYREJZ-DJWKRKHSSA-N	-2	0	276.219	2.719	20	30		CFEDRL
O=C([O-])c1occc1/C=C\C(=O)c1cc(F)cc(F)c1[O-]	ZINC000833095636	601825941	/nfs/dbraw/zinc/82/59/41/601825941.db2.gz	WHBBRTCNACTKSV-UPHRSURJSA-N	-2	0	294.209	2.858	20	30		CFEDRL
O=C([O-])c1ccc(/C=C\C(=O)c2cc(F)cc(F)c2[O-])o1	ZINC000833312505	601826350	/nfs/dbraw/zinc/82/63/50/601826350.db2.gz	QCYYYMIPJMFVHX-IWQZZHSRSA-N	-2	0	294.209	2.858	20	30		CFEDRL
N#Cc1ccc(/C=C\C(=O)c2cc(C(=O)[O-])ccc2[O-])cc1	ZINC000757472556	626553099	/nfs/dbraw/zinc/55/30/99/626553099.db2.gz	KJDHYZVSNWNHOJ-ALCCZGGFSA-N	-2	0	293.278	2.858	20	30		CFEDRL
COc1cccc(/C=C\C(=O)c2cc(C(=O)[O-])ccc2[O-])c1	ZINC000757473871	626553188	/nfs/dbraw/zinc/55/31/88/626553188.db2.gz	QVQNNLOACIRDST-ALCCZGGFSA-N	-2	0	298.294	2.995	20	30		CFEDRL
COc1ccc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2[O-])cc1	ZINC000806560343	630812472	/nfs/dbraw/zinc/81/24/72/630812472.db2.gz	LFGLRWFCQZGPOO-RUDMXATFSA-N	-2	0	298.294	2.995	20	30		CFEDRL
Cc1cccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1C#N	ZINC001242161627	781309047	/nfs/dbraw/zinc/30/90/47/781309047.db2.gz	FDQCFLBOMJEZOW-UHFFFAOYSA-N	-2	0	281.267	2.930	20	30		CFEDRL
Cn1cccc(N=C([O-])CC/C([O-])=N/C2CCCC2)c1=O	ZINC000328799036	378426926	/nfs/dbraw/zinc/42/69/26/378426926.db2.gz	XHEZERNWOMPCIZ-UHFFFAOYSA-N	-2	0	291.351	2.653	20	30		CFEDRL
C=CCCS(=O)(=O)[N-]c1cc(F)cc(Cl)c1[O-]	ZINC000471950035	383380168	/nfs/dbraw/zinc/38/01/68/383380168.db2.gz	AQGWNXDHDQNYPQ-UHFFFAOYSA-N	-2	0	279.720	2.503	20	30		CFEDRL
Cc1cccc(NN=Cc2cc(C(=O)[O-])ccc2O)c1	ZINC000738736422	574182309	/nfs/dbraw/zinc/18/23/09/574182309.db2.gz	LNDZIGOKMAJPBE-UHFFFAOYSA-N	-2	0	270.288	2.845	20	30		CFEDRL
O=C([O-])c1cc(/C=C\C(=O)c2cc(Cl)ccc2[O-])c[nH]1	ZINC000833298101	601826100	/nfs/dbraw/zinc/82/61/00/601826100.db2.gz	NJBMIGGLQHAJDX-IWQZZHSRSA-N	-2	0	291.690	2.968	20	30		CFEDRL
O=C([O-])c1ccc(/C=C/C(=O)c2cccc(C(=O)[O-])c2)cc1	ZINC000806558352	617712378	/nfs/dbraw/zinc/71/23/78/617712378.db2.gz	AMELJQLBOPQEKU-RMKNXTFCSA-N	-2	0	296.278	2.979	20	30		CFEDRL
O=C(/C=C\c1cc(F)c([O-])c(F)c1)c1ccc(O)cc1[O-]	ZINC000255643901	618250472	/nfs/dbraw/zinc/25/04/72/618250472.db2.gz	SPSPGYOTOKLILD-RJRFIUFISA-N	-2	0	292.237	2.978	20	30		CFEDRL
Cc1ncccc1/C=C\C(=O)c1cc(C(=O)[O-])ccc1[O-]	ZINC000757471395	626553090	/nfs/dbraw/zinc/55/30/90/626553090.db2.gz	BODGOLXECCGDLN-XQRVVYSFSA-N	-2	0	283.283	2.690	20	30		CFEDRL
N#Cc1ccc(-c2c(C(=O)[O-])cccc2C(=O)[O-])cc1F	ZINC001240150419	779972059	/nfs/dbraw/zinc/97/20/59/779972059.db2.gz	XTZIDNSBBODUDA-UHFFFAOYSA-N	-2	0	285.230	2.761	20	30		CFEDRL
N#CCc1cc(F)ccc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC001242162931	781309460	/nfs/dbraw/zinc/30/94/60/781309460.db2.gz	NASFQDBDLGUSQR-UHFFFAOYSA-N	-2	0	299.257	2.955	20	30		CFEDRL