smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])CSc1cccc(SCC(=O)[O-])c1	ZINC000000193083	304072836	/nfs/dbraw/zinc/07/28/36/304072836.db2.gz	YDCSKCWDNOCSRA-UHFFFAOYSA-N	-2	0	258.320	2.040	50	0		CEAARL
O=C([O-])c1ccccc1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-]	ZINC000000243758	304270609	/nfs/dbraw/zinc/27/06/09/304270609.db2.gz	MOCBXALUGVMLMU-VHSXEESVSA-N	-2	0	291.303	2.214	50	0		CEAARL
Cc1ccccc1COc1ccccc1P(=O)([O-])[O-]	ZINC000009420331	170376517	/nfs/dbraw/zinc/37/65/17/170376517.db2.gz	UDMYMZVOUPPKLM-UHFFFAOYSA-N	-2	0	278.244	2.377	50	0		CEAARL
O=c1cc([O-])c2ccc3c([O-])cc(=O)c4ccc1c2c34	ZINC000000288842	304620273	/nfs/dbraw/zinc/62/02/73/304620273.db2.gz	XRVXSWZJTJOYCE-UHFFFAOYSA-N	-2	0	264.236	2.378	50	0		CEAARL
CCCCCOc1ccc(S(=O)(=O)[O-])c(C(=O)[O-])c1	ZINC000004543472	361321117	/nfs/dbraw/zinc/32/11/17/361321117.db2.gz	NHRFYAIHXVYZLT-UHFFFAOYSA-N	-2	0	288.321	2.201	50	0		CEAARL
O=C([O-])Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1	ZINC000012521105	361387084	/nfs/dbraw/zinc/38/70/84/361387084.db2.gz	INFQXBZUDAGSHX-UHFFFAOYSA-N	-2	0	297.357	2.176	50	0		CEAARL
CC1(C)[C@](C)(C(=O)[O-])CC[C@]1(Br)C(=O)[O-]	ZINC000004023370	394454326	/nfs/dbraw/zinc/45/43/26/394454326.db2.gz	MSIQRDVANPFESF-UWVGGRQHSA-N	-2	0	279.130	2.116	50	0		CEAARL
O=C([O-])CSc1c(F)c(F)c(C(=O)[O-])c(F)c1F	ZINC000013693382	361436986	/nfs/dbraw/zinc/43/69/86/361436986.db2.gz	BLPNGAHHZKBPOG-UHFFFAOYSA-N	-2	0	284.186	2.118	50	0		CEAARL
O=C([O-])C[C@H](SC/C=C\c1ccccc1)C(=O)[O-]	ZINC000096288974	394678701	/nfs/dbraw/zinc/67/87/01/394678701.db2.gz	PUTYATWQWDWQLA-IBHLPDHGSA-N	-2	0	266.318	2.361	50	0		CEAARL
O=C([O-])c1cc(NC(=O)Cc2ccccc2)cc(C(=O)[O-])c1	ZINC000004822603	170023882	/nfs/dbraw/zinc/02/38/82/170023882.db2.gz	ULSUWEMSGVMQSC-UHFFFAOYSA-N	-2	0	299.282	2.264	50	0		CEAARL
CC(C)C[C@H](NC(=O)Nc1ccc(C(=O)[O-])cc1)C(=O)[O-]	ZINC000004060912	528567164	/nfs/dbraw/zinc/56/71/64/528567164.db2.gz	SYTNFDHAAVNKLN-NSHDSACASA-N	-2	0	294.307	2.006	50	0		CEAARL
O=P([O-])([O-])c1c(Cl)c(Cl)nc(Cl)c1Cl	ZINC000002306281	361231969	/nfs/dbraw/zinc/23/19/69/361231969.db2.gz	QSPMUNXPVQNJEV-UHFFFAOYSA-N	-2	0	296.861	2.498	50	0		CEAARL
O=C([O-])c1ccccc1[N-]S(=O)(=O)c1cccs1	ZINC000003186061	361266947	/nfs/dbraw/zinc/26/69/47/361266947.db2.gz	GKUFUBQLKZGNBO-UHFFFAOYSA-N	-2	0	283.330	2.247	50	0		CEAARL
CCc1ccc([C@@H](CC(=O)[O-])[N-]C(=O)C(F)(F)F)cc1	ZINC000004085614	361299333	/nfs/dbraw/zinc/29/93/33/361299333.db2.gz	XYKUJXKRUCGXBX-SNVBAGLBSA-N	-2	0	289.253	2.443	50	0		CEAARL
O=C([O-])c1ccccc1NC(=O)c1ccccc1C(=O)[O-]	ZINC000000392301	169628171	/nfs/dbraw/zinc/62/81/71/169628171.db2.gz	HZSXOMSYRGNSJA-UHFFFAOYSA-N	-2	0	285.255	2.335	50	0		CEAARL
CC[C@H](C)[C@H](NC(=O)Nc1cccc(C(=O)[O-])c1)C(=O)[O-]	ZINC000008197806	170324183	/nfs/dbraw/zinc/32/41/83/170324183.db2.gz	MTEYIMMMGHLDNK-KWQFWETISA-N	-2	0	294.307	2.006	50	0		CEAARL
Cc1ccc(COc2ccccc2P(=O)([O-])[O-])cc1	ZINC000009050152	170362082	/nfs/dbraw/zinc/36/20/82/170362082.db2.gz	WKOPWJARHHXRIO-UHFFFAOYSA-N	-2	0	278.244	2.377	50	0		CEAARL
O=C([O-])C[C@@H](C(=O)[O-])c1ccc(Br)cc1	ZINC000012957195	170523071	/nfs/dbraw/zinc/52/30/71/170523071.db2.gz	OVOOMMVRUQGTIQ-MRVPVSSYSA-N	-2	0	273.082	2.092	50	0		CEAARL
CC[C@@H](C)[C@H](NC(=O)Nc1cccc(C(=O)[O-])c1)C(=O)[O-]	ZINC000004062001	529419694	/nfs/dbraw/zinc/41/96/94/529419694.db2.gz	MTEYIMMMGHLDNK-KCJUWKMLSA-N	-2	0	294.307	2.006	50	0		CEAARL
O=C([O-])C[C@H]([N-]C(=O)C(F)(F)F)c1cccc(F)c1	ZINC000002505770	361236784	/nfs/dbraw/zinc/23/67/84/361236784.db2.gz	SVRYOEPAUNPIMZ-QMMMGPOBSA-N	-2	0	279.189	2.020	50	0		CEAARL
O=C([O-])c1cccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])c1	ZINC000000233245	304262647	/nfs/dbraw/zinc/26/26/47/304262647.db2.gz	LHZDDILKQAJPCN-VXGBXAGGSA-N	-2	0	291.303	2.214	50	0		CEAARL
O=C([O-])c1cc(-c2c([O-])c(F)c(F)c(F)c2F)[nH]n1	ZINC000110065651	631677196	/nfs/dbraw/zinc/67/71/96/631677196.db2.gz	YQACZAHLSNWRRR-UHFFFAOYSA-N	-2	0	276.145	2.037	50	0		CEAARL
Cc1cccc([C@@H](CC(=O)[O-])[N-]C(=O)C(F)(F)F)c1	ZINC000004072838	230368586	/nfs/dbraw/zinc/36/85/86/230368586.db2.gz	MLBPCEJDOPFPJU-SECBINFHSA-N	-2	0	275.226	2.189	50	0		CEAARL
CN(C)c1ccc(C(=O)c2ccccc2C(=O)[O-])c([O-])c1	ZINC000000267019	361154572	/nfs/dbraw/zinc/15/45/72/361154572.db2.gz	GLELQLHCSRTFFD-UHFFFAOYSA-N	-2	0	285.299	2.387	50	0		CEAARL
CCn1cc([C@@H](CC(=O)[O-])C(=O)[O-])c2ccccc21	ZINC000000818799	361193343	/nfs/dbraw/zinc/19/33/43/361193343.db2.gz	SNMNMVFPEMUKPS-SNVBAGLBSA-N	-2	0	261.277	2.304	50	0		CEAARL
CC(=C/C(=O)[O-])/C(=C/c1ccc(Cl)o1)C(=O)[O-]	ZINC000000356953	361164638	/nfs/dbraw/zinc/16/46/38/361164638.db2.gz	PSLIGPIKOFZLBJ-VXWIUBPCSA-N	-2	0	256.641	2.432	50	0		CEAARL
CC[C@H](CCC(=O)Nc1ccccc1C(=O)[O-])C(=O)[O-]	ZINC000004042761	287839406	/nfs/dbraw/zinc/83/94/06/287839406.db2.gz	ILSAJUYHQUYCCT-SECBINFHSA-N	-2	0	279.292	2.214	50	0		CEAARL
O=C([O-])CC[C@@H]1CCCCN1C(=O)c1cccc(F)c1[O-]	ZINC000221355342	304059637	/nfs/dbraw/zinc/05/96/37/304059637.db2.gz	DCERRFXHVBLSOU-JTQLQIEISA-N	-2	0	295.310	2.391	50	0		CEAARL
O=C([O-])C[C@H](Cc1ccc(Br)cc1)C(=O)[O-]	ZINC000004771458	304081418	/nfs/dbraw/zinc/08/14/18/304081418.db2.gz	YEFKUOATBCIQGW-QMMMGPOBSA-N	-2	0	287.109	2.167	50	0		CEAARL
O=C([O-])[C@@H]1[C@@H](C(=O)[O-])C1(c1ccccc1)c1ccccc1	ZINC000004700947	304155358	/nfs/dbraw/zinc/15/53/58/304155358.db2.gz	ZRZIECPVJOBCAO-KBPBESRZSA-N	-2	0	282.295	2.388	50	0		CEAARL
O=C([O-])c1cccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])c1	ZINC000000233246	304263144	/nfs/dbraw/zinc/26/31/44/304263144.db2.gz	LHZDDILKQAJPCN-RYUDHWBXSA-N	-2	0	291.303	2.214	50	0		CEAARL
O=C([O-])CSC(SCC(=O)[O-])c1cccs1	ZINC000002148852	169777270	/nfs/dbraw/zinc/77/72/70/169777270.db2.gz	OOHRNZKFCMVLGS-UHFFFAOYSA-N	-2	0	278.376	2.382	50	0		CEAARL
O=C([O-])c1cc(Cc2ccc(O)c(C(=O)[O-])c2)ccc1O	ZINC000003589671	169899296	/nfs/dbraw/zinc/89/92/96/169899296.db2.gz	JWQFKVGACKJIAV-UHFFFAOYSA-N	-2	0	288.255	2.085	50	0	in-man	CEAARL
O=C([O-])c1cc(Cl)c(Cl)c([S@@](=O)[O-])c1	ZINC000080028013	539277713	/nfs/dbraw/zinc/27/77/13/539277713.db2.gz	ATIOJDIEBXKFNI-UHFFFAOYSA-N	-2	0	255.078	2.272	50	0		CEAARL
O=C([O-])c1ccc(-c2ccc(C(=O)[O-])c(O)c2)cc1	ZINC000065350653	362810699	/nfs/dbraw/zinc/81/06/99/362810699.db2.gz	YDDSATUGVGWNIH-UHFFFAOYSA-N	-2	0	258.229	2.456	50	0		CEAARL
O=C([O-])c1ccc(C(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cc1	ZINC000020096059	304239775	/nfs/dbraw/zinc/23/97/75/304239775.db2.gz	ANSHSDQNKMUOPJ-NWDGAFQWSA-N	-2	0	276.288	2.459	50	0		CEAARL
O=C([O-])c1ccc(C(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1	ZINC000020096064	304240000	/nfs/dbraw/zinc/24/00/00/304240000.db2.gz	ANSHSDQNKMUOPJ-NEPJUHHUSA-N	-2	0	276.288	2.459	50	0		CEAARL
O=C([O-])CCCCC(=O)c1ccc(CC(=O)[O-])s1	ZINC000022591007	171393011	/nfs/dbraw/zinc/39/30/11/171393011.db2.gz	IFJOAJZWERORJA-UHFFFAOYSA-N	-2	0	270.306	2.203	50	0		CEAARL
COc1ccc(/C=C(C(=O)[O-])\C(C)=C\C(=O)[O-])c(OC)c1	ZINC000005380755	295052448	/nfs/dbraw/zinc/05/24/48/295052448.db2.gz	DDCHAXVNNPMCHJ-QBXHZEQXSA-N	-2	0	292.287	2.203	50	0		CEAARL
O=C([O-])C(=O)C1=C([O-])c2ccc3ccccc3c2CC1	ZINC000048523802	343530923	/nfs/dbraw/zinc/53/09/23/343530923.db2.gz	BKKXZYPLANBZME-ZDUSSCGKSA-N	-2	0	268.268	2.239	50	0		CEAARL
O=C([O-])CCNc1ccc(Br)cc1C(=O)[O-]	ZINC000000049973	361121205	/nfs/dbraw/zinc/12/12/05/361121205.db2.gz	UCDRJLNZRICNMJ-UHFFFAOYSA-N	-2	0	288.097	2.034	50	0		CEAARL
O=C([O-])CCCCCOc1ccc(CC(=O)[O-])cc1	ZINC000095097524	364340604	/nfs/dbraw/zinc/34/06/04/364340604.db2.gz	OPWNVBXVBFPQKL-UHFFFAOYSA-N	-2	0	266.293	2.338	50	0		CEAARL
CC(=C\C(=O)[O-])/C(=C\c1ccc(F)cc1)C(=O)[O-]	ZINC000004772810	277928399	/nfs/dbraw/zinc/92/83/99/277928399.db2.gz	FIYZRSQBQZIZMF-JMFBPXTISA-N	-2	0	250.225	2.325	50	0		CEAARL
O=C([O-])c1ccccc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-]	ZINC000000243765	304270301	/nfs/dbraw/zinc/27/03/01/304270301.db2.gz	MOCBXALUGVMLMU-ZJUUUORDSA-N	-2	0	291.303	2.214	50	0		CEAARL
O=C([O-])c1ccc(C(=O)c2ccc(F)cc2)c(C(=O)[O-])c1	ZINC000022059381	171351700	/nfs/dbraw/zinc/35/17/00/171351700.db2.gz	JVUHTPARUDQETP-UHFFFAOYSA-N	-2	0	288.230	2.453	50	0	in-vitro	CEAARL
O=C([O-])c1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1	ZINC000042784435	174879156	/nfs/dbraw/zinc/87/91/56/174879156.db2.gz	LQEZHWGJSWHXPJ-UHFFFAOYSA-N	-3	0	286.239	2.448	50	0		CEAARL
CCc1nc(C(C)(C)C)cc(C(=O)[O-])c1C(=O)[O-]	ZINC000000343338	361164058	/nfs/dbraw/zinc/16/40/58/361164058.db2.gz	LFIAGOQGOGKRGE-UHFFFAOYSA-N	-2	0	251.282	2.338	50	0		CEAARL
O=C([O-])c1ccc(Br)cc1C1(C(=O)[O-])CC1	ZINC000238854672	400314744	/nfs/dbraw/zinc/31/47/44/400314744.db2.gz	OUGUCALZSNJCTK-UHFFFAOYSA-N	-2	0	285.093	2.264	50	0		CEAARL
O=C([O-])Cc1c2cc(Cl)ccc2[nH]c1C(=O)[O-]	ZINC000000013231	361116969	/nfs/dbraw/zinc/11/69/69/361116969.db2.gz	LRXDFQDRJSDXHF-UHFFFAOYSA-N	-2	0	253.641	2.147	50	0		CEAARL
Cc1oc2ccc(O[C@H](C)C(=O)[O-])cc2c1C(=O)[O-]	ZINC000000407146	361170824	/nfs/dbraw/zinc/17/08/24/361170824.db2.gz	BDJZAKFLBOEMNK-SSDOTTSWSA-N	-2	0	264.233	2.291	50	0		CEAARL
CC1(C)[C@@](C)(C(=O)[O-])CC[C@@]1(Br)C(=O)[O-]	ZINC000000517430	361182556	/nfs/dbraw/zinc/18/25/56/361182556.db2.gz	MSIQRDVANPFESF-NXEZZACHSA-N	-2	0	279.130	2.116	50	0		CEAARL
CC1(C)[C@@](Br)(C(=O)[O-])CC[C@]1(C)C(=O)[O-]	ZINC000005500123	361333440	/nfs/dbraw/zinc/33/34/40/361333440.db2.gz	MSIQRDVANPFESF-ZJUUUORDSA-N	-2	0	279.130	2.116	50	0		CEAARL
CCCCc1ccc(-n2c(O)cc(=O)[nH]c2=S)cc1	ZINC000005951821	361334865	/nfs/dbraw/zinc/33/48/65/361334865.db2.gz	DFHJAQOEGCFDBV-UHFFFAOYSA-N	-2	0	276.361	2.167	50	0		CEAARL
CC(C)(C)C(=O)Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000000196899	278294149	/nfs/dbraw/zinc/29/41/49/278294149.db2.gz	YARNUSSCRCMUME-UHFFFAOYSA-N	-2	0	265.265	2.068	50	0		CEAARL
Cc1cc(C)cc(C[C@H](C(=O)[O-])[C@H](C)C(=O)[O-])c1	ZINC000000249060	301223372	/nfs/dbraw/zinc/22/33/72/301223372.db2.gz	LOVSULDAFPYWMB-JQWIXIFHSA-N	-2	0	250.294	2.267	50	0		CEAARL
O=C([O-])c1csc(Cc2ccc(C(=O)[O-])cc2)n1	ZINC000057903565	362601150	/nfs/dbraw/zinc/60/11/50/362601150.db2.gz	KMYGKCMFBRKZKM-UHFFFAOYSA-N	-2	0	263.274	2.130	50	0		CEAARL
O=C([O-])c1cccc(NC(=O)c2ccccc2C(=O)[O-])c1	ZINC000000190721	361142727	/nfs/dbraw/zinc/14/27/27/361142727.db2.gz	DAIJYESEGBNTJK-UHFFFAOYSA-N	-2	0	285.255	2.335	50	0		CEAARL
CC(C)(C)c1ccc(CC(C(=O)[O-])C(=O)[O-])cc1	ZINC000002505338	361237113	/nfs/dbraw/zinc/23/71/13/361237113.db2.gz	RFJKUWQEUIWDBD-UHFFFAOYSA-N	-2	0	250.294	2.312	50	0		CEAARL
Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])o1	ZINC000358552793	371113146	/nfs/dbraw/zinc/11/31/46/371113146.db2.gz	BGDFAIHAVPDVAM-UHFFFAOYSA-N	-2	0	299.279	2.226	50	0		CEAARL
O=C([O-])c1ccc(C(=O)[O-])c(C(=O)c2ccccc2)c1	ZINC000000225934	304239752	/nfs/dbraw/zinc/23/97/52/304239752.db2.gz	QPWPGTPJKLLPGE-UHFFFAOYSA-N	-2	0	270.240	2.314	50	0		CEAARL
O=C([O-])CSC12C[C@@H]3C[C@H](C1)CC(C(=O)[O-])(C3)C2	ZINC000000186828	304071733	/nfs/dbraw/zinc/07/17/33/304071733.db2.gz	KNHDQMKPMIGZCN-RFZWMSCOSA-N	-2	0	270.350	2.228	50	0		CEAARL
CCCC[C@](CCC(=O)[O-])(C(=O)[O-])c1csc(N)n1	ZINC000013944031	361444973	/nfs/dbraw/zinc/44/49/73/361444973.db2.gz	PUIZLRKYQAHWFA-GFCCVEGCSA-N	-2	0	286.353	2.103	50	0		CEAARL
O=C([O-])CCSC(=S)[N-]c1ccc(O)cc1	ZINC000002578610	184528130	/nfs/dbraw/zinc/52/81/30/184528130.db2.gz	RWCGIMYYVZOCTN-UHFFFAOYSA-N	-2	0	257.336	2.297	50	0		CEAARL
O=C([O-])C[C@H](C(=O)[O-])c1ncc(C(F)(F)F)cc1Cl	ZINC000005753708	170137024	/nfs/dbraw/zinc/13/70/24/170137024.db2.gz	UHAJPTDLZZUMRN-YFKPBYRVSA-N	-2	0	297.616	2.397	50	0		CEAARL
Nc1cc(C(=O)[O-])ccc1/C=C/c1ccc(C(=O)[O-])cc1N	ZINC000071773543	363112912	/nfs/dbraw/zinc/11/29/12/363112912.db2.gz	QEDSDXRFNGAJKN-OWOJBTEDSA-N	-2	0	298.298	2.418	50	0		CEAARL
O=C([O-])CCn1c(=O)c2[nH]c3ccccc3c2[n-]c1=S	ZINC000100020727	304064763	/nfs/dbraw/zinc/06/47/63/304064763.db2.gz	AHAQRBIYLAEAGY-UHFFFAOYSA-N	-2	0	289.316	2.015	50	0		CEAARL
O=C([O-])[C@@H]1[C@H](C(=O)[O-])C1(c1ccccc1)c1ccccc1	ZINC000004700945	304159960	/nfs/dbraw/zinc/15/99/60/304159960.db2.gz	ZRZIECPVJOBCAO-OKILXGFUSA-N	-2	0	282.295	2.388	50	0		CEAARL
O=C([O-])C[C@@H](SC/C=C\c1ccccc1)C(=O)[O-]	ZINC000096288975	256775144	/nfs/dbraw/zinc/77/51/44/256775144.db2.gz	PUTYATWQWDWQLA-MEQVVJDKSA-N	-2	0	266.318	2.361	50	0		CEAARL
O=C([O-])c1ccoc1COc1ccc(C(=O)[O-])cc1	ZINC000000342043	330224442	/nfs/dbraw/zinc/22/44/42/330224442.db2.gz	JUSFUBIIWYZUNN-UHFFFAOYSA-N	-2	0	262.217	2.255	50	0		CEAARL
O=C([O-])C[C@@H](SC/C=C/c1ccccc1)C(=O)[O-]	ZINC000070005344	363019268	/nfs/dbraw/zinc/01/92/68/363019268.db2.gz	PUTYATWQWDWQLA-TZOMUSMUSA-N	-2	0	266.318	2.361	50	0		CEAARL
Nc1cc(CCCC(=O)[O-])sc1CCCC(=O)[O-]	ZINC000000251213	361152132	/nfs/dbraw/zinc/15/21/32/361152132.db2.gz	CEEXYAKTSAABMO-UHFFFAOYSA-N	-2	0	271.338	2.145	50	0		CEAARL
Cc1ccccc1[C@H](CC(=O)[O-])[N-]C(=O)C(F)(F)F	ZINC000002505771	361236939	/nfs/dbraw/zinc/23/69/39/361236939.db2.gz	ZLCQGUINOMPKMH-VIFPVBQESA-N	-2	0	275.226	2.189	50	0		CEAARL
O=C([O-])C[C@@H]([N-]C(=O)C(F)(F)F)c1ccccc1F	ZINC000004085646	361299074	/nfs/dbraw/zinc/29/90/74/361299074.db2.gz	XFPHYTYJDGHYPV-MRVPVSSYSA-N	-2	0	279.189	2.020	50	0		CEAARL
O=C([O-])c1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])cc1	ZINC000000293027	304247309	/nfs/dbraw/zinc/24/73/09/304247309.db2.gz	ULAUXEJKVWFIPU-VXGBXAGGSA-N	-2	0	291.303	2.214	50	0		CEAARL
CCc1ccc([C@H](CC(=O)[O-])[N-]C(=O)C(F)(F)F)cc1	ZINC000002505769	361236648	/nfs/dbraw/zinc/23/66/48/361236648.db2.gz	XYKUJXKRUCGXBX-JTQLQIEISA-N	-2	0	289.253	2.443	50	0		CEAARL
O=C([O-])C(=Cc1ccccc1C(F)(F)F)C(=O)[O-]	ZINC000004237746	361306863	/nfs/dbraw/zinc/30/68/63/361306863.db2.gz	MEGXESUAOFCVJX-UHFFFAOYSA-N	-2	0	260.167	2.258	50	0		CEAARL
O=C([O-])c1cc(Br)c([O-])c(Br)n1	ZINC000065337584	304220875	/nfs/dbraw/zinc/22/08/75/304220875.db2.gz	KAQSHVQNOSITQB-UHFFFAOYSA-N	-2	0	296.902	2.010	50	0		CEAARL
O=C([O-])C[C@H]([N-]C(=O)C(F)(F)F)c1ccccc1F	ZINC000002505772	361236959	/nfs/dbraw/zinc/23/69/59/361236959.db2.gz	XFPHYTYJDGHYPV-QMMMGPOBSA-N	-2	0	279.189	2.020	50	0		CEAARL
Cc1nc(SCC(=O)[O-])[n-]c(=O)c1Oc1ccccc1	ZINC000009691993	170384509	/nfs/dbraw/zinc/38/45/09/170384509.db2.gz	GPUYBURCZBGWDS-UHFFFAOYSA-N	-2	0	292.316	2.460	50	0		CEAARL
O=C([O-])c1ccc(Cc2ccc(C(=O)[O-])s2)o1	ZINC000000185109	361142846	/nfs/dbraw/zinc/14/28/46/361142846.db2.gz	HGVUZSITQDYLLE-UHFFFAOYSA-N	-2	0	252.247	2.328	50	0		CEAARL
COc1ccc(C(=O)c2ccccc2C(=O)[O-])c([O-])c1	ZINC000000394736	361169130	/nfs/dbraw/zinc/16/91/30/361169130.db2.gz	JLZIIHMTTRXXIN-UHFFFAOYSA-N	-2	0	272.256	2.330	50	0		CEAARL
Cc1[n-]n2c(ncc(C(=O)[O-])c2=O)c1-c1ccccc1	ZINC000102840203	364613002	/nfs/dbraw/zinc/61/30/02/364613002.db2.gz	GJAFBVCBIAREMM-UHFFFAOYSA-N	-2	0	269.260	2.109	50	0		CEAARL
O=C([O-])c1c(Cl)ncc(C(F)(F)F)c1C(=O)[O-]	ZINC000002386450	304217095	/nfs/dbraw/zinc/21/70/95/304217095.db2.gz	RPVDIEAEQRAQRW-UHFFFAOYSA-N	-2	0	269.562	2.150	50	0		CEAARL
CC(C)(C)c1nnc(Nc2ccccc2C(=O)[O-])[n-]c1=O	ZINC000005154643	394458303	/nfs/dbraw/zinc/45/83/03/394458303.db2.gz	PBWUCEHOFGQASO-UHFFFAOYSA-N	-2	0	288.307	2.317	50	0		CEAARL
CC(C)(C)OC(=O)Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000002582904	169814055	/nfs/dbraw/zinc/81/40/55/169814055.db2.gz	SRUMAAHZHIHIQB-UHFFFAOYSA-N	-2	0	281.264	2.430	50	0		CEAARL
CC[C@@H](CCC(=O)Nc1cccc(C(=O)[O-])c1)C(=O)[O-]	ZINC000000207531	361146136	/nfs/dbraw/zinc/14/61/36/361146136.db2.gz	YTWWJFHXEWQKLX-VIFPVBQESA-N	-2	0	279.292	2.214	50	0		CEAARL
O=C([O-])c1ccc(C(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])cc1	ZINC000020096060	361579274	/nfs/dbraw/zinc/57/92/74/361579274.db2.gz	ANSHSDQNKMUOPJ-RYUDHWBXSA-N	-2	0	276.288	2.459	50	0		CEAARL
COC(C)(C)CS(=O)(=O)[N-]c1cccc(Cl)c1[O-]	ZINC000253426650	371521604	/nfs/dbraw/zinc/52/16/04/371521604.db2.gz	IBNFJJMMUFBVPN-UHFFFAOYSA-N	-2	0	293.772	2.212	50	0		CEAARL
O=C([O-])c1cc(C(=O)[O-])c2cc(Br)ccc2n1	ZINC000004834761	304223434	/nfs/dbraw/zinc/22/34/34/304223434.db2.gz	DEAWSKJTMZXPBZ-UHFFFAOYSA-N	-2	0	296.076	2.394	50	0		CEAARL
O=C([O-])c1ccc2c(c1)C(=O)N(c1ccc([S-])cc1)C2=O	ZINC000004641454	304251848	/nfs/dbraw/zinc/25/18/48/304251848.db2.gz	NUXCZVSGXYONCO-UHFFFAOYSA-N	-2	0	299.307	2.474	50	0		CEAARL
O=C([O-])CCN(CCC(=O)[O-])c1ccc(Cl)cc1	ZINC000041405107	362033789	/nfs/dbraw/zinc/03/37/89/362033789.db2.gz	QUQYIBIHOGJOKK-UHFFFAOYSA-N	-2	0	271.700	2.096	50	0		CEAARL
CC(CCCOc1ccccc1)(C(=O)[O-])C(=O)[O-]	ZINC000071771797	363112152	/nfs/dbraw/zinc/11/21/52/363112152.db2.gz	JXCXFFJXJLRCBR-UHFFFAOYSA-N	-2	0	252.266	2.021	50	0		CEAARL
O=C([O-])c1cc(Br)c(C(=O)[O-])cc1Cl	ZINC000001715147	304220789	/nfs/dbraw/zinc/22/07/89/304220789.db2.gz	BMIBLGHQDGAWJD-UHFFFAOYSA-N	-2	0	279.473	2.499	50	0		CEAARL
O=C([O-])CCNc1cc2ccccc2cc1C(=O)[O-]	ZINC000000244567	169585377	/nfs/dbraw/zinc/58/53/77/169585377.db2.gz	JPFQBHCHCFWVDF-UHFFFAOYSA-N	-2	0	259.261	2.425	50	0		CEAARL
O=C([O-])C[C@@H](C(=O)[O-])c1ncc(C(F)(F)F)cc1Cl	ZINC000005753705	170137106	/nfs/dbraw/zinc/13/71/06/170137106.db2.gz	UHAJPTDLZZUMRN-RXMQYKEDSA-N	-2	0	297.616	2.397	50	0		CEAARL
O=C([O-])C[C@@H](C(=O)[O-])c1ccccc1Br	ZINC000071610028	176231430	/nfs/dbraw/zinc/23/14/30/176231430.db2.gz	ZYVUHPNGZXZEFZ-SSDOTTSWSA-N	-2	0	273.082	2.092	50	0		CEAARL
O=C([O-])C(=O)C1=C([O-])c2ccc3ccccc3c2CC1	ZINC000048523804	343530896	/nfs/dbraw/zinc/53/08/96/343530896.db2.gz	BKKXZYPLANBZME-CYBMUJFWSA-N	-2	0	268.268	2.239	50	0		CEAARL
O=C([O-])CC[C@@H](Cc1ccc(Cl)cc1)C(=O)[O-]	ZINC000057958413	362602294	/nfs/dbraw/zinc/60/22/94/362602294.db2.gz	WRYLMBSIVXCOPU-VIFPVBQESA-N	-2	0	256.685	2.448	50	0		CEAARL
O=C([O-])C[C@H](SC/C=C/c1ccccc1)C(=O)[O-]	ZINC000070005341	363018829	/nfs/dbraw/zinc/01/88/29/363018829.db2.gz	PUTYATWQWDWQLA-ZPMKCOPCSA-N	-2	0	266.318	2.361	50	0		CEAARL
O=C(Nc1nc(-c2ccccc2)cs1)NP(=O)([O-])[O-]	ZINC000001778912	361221859	/nfs/dbraw/zinc/22/18/59/361221859.db2.gz	LDPKMMUMRYBNEH-UHFFFAOYSA-N	-2	0	299.248	2.024	50	0		CEAARL
O=C([O-])C[C@@H]([N-]C(=O)C(F)(F)F)c1ccc(F)cc1	ZINC000003883818	361293503	/nfs/dbraw/zinc/29/35/03/361293503.db2.gz	NPQRPZRZZQVZIJ-MRVPVSSYSA-N	-2	0	279.189	2.020	50	0		CEAARL
CC(=C\C(=O)[O-])/C(=C\c1ccc(Cl)o1)C(=O)[O-]	ZINC000004656460	361325893	/nfs/dbraw/zinc/32/58/93/361325893.db2.gz	PSLIGPIKOFZLBJ-HLQBBKRNSA-N	-2	0	256.641	2.432	50	0		CEAARL
O=C([O-])c1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])cc1	ZINC000000293029	304247907	/nfs/dbraw/zinc/24/79/07/304247907.db2.gz	ULAUXEJKVWFIPU-RYUDHWBXSA-N	-2	0	291.303	2.214	50	0		CEAARL
CCn1c(C(=O)[O-])cc(C(=O)[O-])c1-c1ccccc1O	ZINC000021147262	171298617	/nfs/dbraw/zinc/29/86/17/171298617.db2.gz	NFWATEREWISEBU-UHFFFAOYSA-N	-2	0	275.260	2.277	50	0		CEAARL
COc1ccc(Cl)c(C[C@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000044122615	175143174	/nfs/dbraw/zinc/14/31/74/175143174.db2.gz	DGIHPCWUYKWDQZ-MRVPVSSYSA-N	-2	0	272.684	2.067	50	0		CEAARL
CCOc1ccc(C(CC(=O)[O-])CC(=O)[O-])cc1	ZINC000000330249	361161075	/nfs/dbraw/zinc/16/10/75/361161075.db2.gz	HNLCQAHAJKLECC-UHFFFAOYSA-N	-2	0	252.266	2.118	50	0		CEAARL
CC(C)COc1ccc([C@@H](CC(=O)[O-])C(=O)[O-])cc1	ZINC000000206935	361145203	/nfs/dbraw/zinc/14/52/03/361145203.db2.gz	CDYRCTNSYGHPTR-GFCCVEGCSA-N	-2	0	266.293	2.364	50	0		CEAARL
Nc1nc(-c2ccccc2[O-])nc(-c2ccccc2[O-])n1	ZINC000000268676	361154543	/nfs/dbraw/zinc/15/45/43/361154543.db2.gz	VDGCVEJODDABLM-UHFFFAOYSA-N	-2	0	280.287	2.199	50	0		CEAARL
C/C=C/C=C/C(=O)Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000003156132	361265838	/nfs/dbraw/zinc/26/58/38/361265838.db2.gz	RBJKJZIIJYCRQH-MQQKCMAXSA-N	-2	0	275.260	2.154	50	0		CEAARL
O=C([O-])c1ccc(Oc2ccc(S(=O)(=O)[O-])cc2)cc1	ZINC000004582466	361322810	/nfs/dbraw/zinc/32/28/10/361322810.db2.gz	VDPFZQAAWYABAH-UHFFFAOYSA-N	-2	0	294.284	2.424	50	0		CEAARL
O=Nc1cc(S(=O)(=O)[O-])c2ccccc2c1[O-]	ZINC000012359031	361379112	/nfs/dbraw/zinc/37/91/12/361379112.db2.gz	GASPSNIEUBWWJU-UHFFFAOYSA-N	-2	0	253.235	2.190	50	0		CEAARL
CCSc1nc2ccccc2n1[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000005042100	170059515	/nfs/dbraw/zinc/05/95/15/170059515.db2.gz	VJFVQMGXIMUXEX-SNVBAGLBSA-N	-2	0	294.332	2.249	50	0		CEAARL
O=C([O-])CCCC(=O)Nc1cc(C(=O)[O-])ccc1Cl	ZINC000005050492	170061283	/nfs/dbraw/zinc/06/12/83/170061283.db2.gz	MIVADGIALGVXOS-UHFFFAOYSA-N	-2	0	285.683	2.232	50	0		CEAARL
COc1ccc(Cl)c(C[C@@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000044122611	175143323	/nfs/dbraw/zinc/14/33/23/175143323.db2.gz	DGIHPCWUYKWDQZ-QMMMGPOBSA-N	-2	0	272.684	2.067	50	0		CEAARL
Nc1cccc(Oc2ccc(C(=O)[O-])c(C(=O)[O-])c2)c1	ZINC000000258698	361152831	/nfs/dbraw/zinc/15/28/31/361152831.db2.gz	PGTIVCAWCSTAPB-UHFFFAOYSA-N	-2	0	273.244	2.458	50	0		CEAARL
O=C([O-])c1cccc(C(=O)c2cccc(C(=O)[O-])c2)c1	ZINC000000207916	361146244	/nfs/dbraw/zinc/14/62/44/361146244.db2.gz	HVEAQFIZKONJJG-UHFFFAOYSA-N	-2	0	270.240	2.314	50	0		CEAARL
O=P([O-])([O-])Oc1c[nH]c2ccc(Br)cc12	ZINC000002585442	361242103	/nfs/dbraw/zinc/24/21/03/361242103.db2.gz	FEJAVBVYHMPNES-UHFFFAOYSA-N	-2	0	292.025	2.402	50	0	in-vitro	CEAARL
O=C([O-])c1c2n(c(-c3ccccc3)c1C(=O)[O-])CCC2	ZINC000004041222	304218518	/nfs/dbraw/zinc/21/85/18/304218518.db2.gz	PZHWPPSJDKFPNA-UHFFFAOYSA-N	-2	0	271.272	2.498	50	0		CEAARL
O=C([O-])c1ccc(F)c(C(F)(F)F)c1C(=O)[O-]	ZINC000005426596	304245181	/nfs/dbraw/zinc/24/51/81/304245181.db2.gz	DFHZUFZXENRHCB-UHFFFAOYSA-N	-2	0	252.119	2.241	50	0		CEAARL
O=C([O-])c1ccc2c(c1)C(=O)c1cc(C(=O)[O-])ccc1-2	ZINC000000266972	304252378	/nfs/dbraw/zinc/25/23/78/304252378.db2.gz	XMIFYVJZYNTBTI-UHFFFAOYSA-N	-2	0	268.224	2.294	50	0		CEAARL
CCCn1cc(CC(C(=O)[O-])C(=O)[O-])c2ccccc21	ZINC000004708793	170003140	/nfs/dbraw/zinc/00/31/40/170003140.db2.gz	AOPGZVZFNQNKLN-UHFFFAOYSA-N	-2	0	275.304	2.379	50	0		CEAARL
Cc1[n-]n(-c2ccccc2Cl)c(=O)c1CC(=O)[O-]	ZINC000006678536	170225791	/nfs/dbraw/zinc/22/57/91/170225791.db2.gz	ALZANAUCJFHNRG-UHFFFAOYSA-N	-2	0	266.684	2.167	50	0		CEAARL
O=C([O-])COc1c(Cl)cc(C(=O)[O-])cc1Cl	ZINC000007604127	304070398	/nfs/dbraw/zinc/07/03/98/304070398.db2.gz	USFSGBHXNHIYCX-UHFFFAOYSA-N	-2	0	265.048	2.155	50	0		CEAARL
CCCOc1ccc(C[C@@H](CC(=O)[O-])C(=O)[O-])cc1	ZINC000002252032	361231472	/nfs/dbraw/zinc/23/14/72/361231472.db2.gz	IMIDATNRMBXSHL-NSHDSACASA-N	-2	0	266.293	2.193	50	0		CEAARL
Nc1ccc(-c2ccc(C(=O)[O-])c(C(=O)[O-])c2)cc1	ZINC000096246550	364415920	/nfs/dbraw/zinc/41/59/20/364415920.db2.gz	PWVAGZXFNVKGOU-UHFFFAOYSA-N	-2	0	257.245	2.332	50	0		CEAARL
Cc1cccc(COc2ccccc2P(=O)([O-])[O-])c1	ZINC000009485681	170378761	/nfs/dbraw/zinc/37/87/61/170378761.db2.gz	MLJCNQCDFMLRSZ-UHFFFAOYSA-N	-2	0	278.244	2.377	50	0		CEAARL
O=C([O-])CC(CC(=O)[O-])c1ccc(Br)cc1	ZINC000022000147	171348246	/nfs/dbraw/zinc/34/82/46/171348246.db2.gz	ZSYRDSTUBZGDKI-UHFFFAOYSA-N	-2	0	287.109	2.482	50	0		CEAARL
CC(C)(CC(=O)[O-])CC(=O)Nc1cccc(C(=O)[O-])c1	ZINC000000151379	278598313	/nfs/dbraw/zinc/59/83/13/278598313.db2.gz	VSOCRPVZFVSEJD-UHFFFAOYSA-N	-2	0	279.292	2.214	50	0		CEAARL
CC(C)c1nc(=N[C@H](Cc2ccccc2)C(=O)[O-])s[n-]1	ZINC000573091294	314139448	/nfs/dbraw/zinc/13/94/48/314139448.db2.gz	CUMRZILOEKHAIK-LLVKDONJSA-N	-2	0	291.376	2.191	50	0		CEAARL
Cc1ccc([C@@H]2CCCN(C(=O)[O-])[C@@H]2C(=O)[O-])cc1	ZINC000601012955	346731773	/nfs/dbraw/zinc/73/17/73/346731773.db2.gz	PUEGNEWCTLNNHR-RYUDHWBXSA-N	-2	0	263.293	2.306	50	0		CEAARL
CC[C@@H](CCC(=O)Nc1ccccc1C(=O)[O-])C(=O)[O-]	ZINC000004042757	286830538	/nfs/dbraw/zinc/83/05/38/286830538.db2.gz	ILSAJUYHQUYCCT-VIFPVBQESA-N	-2	0	279.292	2.214	50	0		CEAARL
Cc1c(C(=O)[O-])sc(-n2cccc2C=O)c1C(=O)[O-]	ZINC000032918601	361766527	/nfs/dbraw/zinc/76/65/27/361766527.db2.gz	NSDQIIAOPRGICE-UHFFFAOYSA-N	-2	0	279.273	2.056	50	0		CEAARL
CCCCOC(=O)c1cc(C(=O)[O-])ccc1C(=O)[O-]	ZINC000002024019	361226721	/nfs/dbraw/zinc/22/67/21/361226721.db2.gz	PFPQJCSNMYNKQJ-UHFFFAOYSA-N	-2	0	266.249	2.040	50	0		CEAARL
CCCOc1ccc(C[C@H](CC(=O)[O-])C(=O)[O-])cc1	ZINC000002252033	361231344	/nfs/dbraw/zinc/23/13/44/361231344.db2.gz	IMIDATNRMBXSHL-LLVKDONJSA-N	-2	0	266.293	2.193	50	0		CEAARL
Cc1cccc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)c1	ZINC000003208029	361268140	/nfs/dbraw/zinc/26/81/40/361268140.db2.gz	SBCGIAAHIVKYKK-UHFFFAOYSA-N	-2	0	291.328	2.494	50	0		CEAARL
O=C([O-])c1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1	ZINC000000293030	304247361	/nfs/dbraw/zinc/24/73/61/304247361.db2.gz	ULAUXEJKVWFIPU-NEPJUHHUSA-N	-2	0	291.303	2.214	50	0		CEAARL
Cc1cc(C)cc(C[C@@H](C(=O)[O-])[C@@H](C)C(=O)[O-])c1	ZINC000000249058	301223281	/nfs/dbraw/zinc/22/32/81/301223281.db2.gz	LOVSULDAFPYWMB-ZYHUDNBSSA-N	-2	0	250.294	2.267	50	0		CEAARL
O=C([O-])c1ccc(CNC(=O)c2ccccc2C(=O)[O-])cc1	ZINC000000123847	361131807	/nfs/dbraw/zinc/13/18/07/361131807.db2.gz	VQCMZVYKLCGFDA-UHFFFAOYSA-N	-2	0	299.282	2.013	50	0		CEAARL
COc1ccc(-c2occ(C(=O)[O-])c2C(=O)[O-])cc1	ZINC000002939574	361259200	/nfs/dbraw/zinc/25/92/00/361259200.db2.gz	QPGWVRKHYHUXOV-UHFFFAOYSA-N	-2	0	262.217	2.352	50	0		CEAARL
O=C([O-])[C@@H]1[C@H]2C[C@H](c3ccccc3)[C@H](C2)[C@@H]1C(=O)[O-]	ZINC000008473741	170336814	/nfs/dbraw/zinc/33/68/14/170336814.db2.gz	FVOPGJHWZNSVSQ-OFTGVCEQSA-N	-2	0	260.289	2.212	50	0		CEAARL
O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccccc2)c1	ZINC000000079178	326789400	/nfs/dbraw/zinc/78/94/00/326789400.db2.gz	VWGNPEOFEQFHDH-UHFFFAOYSA-N	-2	0	295.291	2.325	50	0		CEAARL
CCC[C@@H]1CN(c2nc(C)ccc2C(=O)[O-])C[C@H]1C(=O)[O-]	ZINC000092066733	180316080	/nfs/dbraw/zinc/31/60/80/180316080.db2.gz	AQKNMNXMTMYKDK-ZYHUDNBSSA-N	-2	0	292.335	2.025	50	0		CEAARL
O=C([O-])c1ccc(C(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])cc1	ZINC000020096062	361578778	/nfs/dbraw/zinc/57/87/78/361578778.db2.gz	ANSHSDQNKMUOPJ-VXGBXAGGSA-N	-2	0	276.288	2.459	50	0		CEAARL
CCCC(C)(SCC(=O)[O-])SCC(=O)[O-]	ZINC000002160632	282601607	/nfs/dbraw/zinc/60/16/07/282601607.db2.gz	CWAPEAHYJDCOPM-UHFFFAOYSA-N	-2	0	252.357	2.138	50	0		CEAARL
O=C([O-])c1cc([S@](=O)[O-])cc(Cl)c1Cl	ZINC000675060668	540080757	/nfs/dbraw/zinc/08/07/57/540080757.db2.gz	GQKXBVULVFAYLS-UHFFFAOYSA-N	-2	0	255.078	2.272	50	0		CEAARL
Cc1ccc([C@H](CC(=O)[O-])[N-]C(=O)C(F)(F)F)cc1	ZINC000002581750	538745499	/nfs/dbraw/zinc/74/54/99/538745499.db2.gz	JWJQZMWJJAIQBA-VIFPVBQESA-N	-2	0	275.226	2.189	50	0		CEAARL
O=C([O-])c1ccc(COc2ccc(C(=O)[O-])cc2)o1	ZINC000004040422	361297021	/nfs/dbraw/zinc/29/70/21/361297021.db2.gz	LFTLWROQIOSFLO-UHFFFAOYSA-N	-2	0	262.217	2.255	50	0		CEAARL
Cc1[n-]n(-c2cc(C)nc(-c3ccccc3[O-])n2)c(=O)c1C	ZINC000013127328	361420001	/nfs/dbraw/zinc/42/00/01/361420001.db2.gz	OXTSPOIPCTXDDI-UHFFFAOYSA-N	-2	0	296.330	2.253	50	0		CEAARL
O=C([O-])[C@@H]1[C@H]2C[C@@H](c3ccccc3)[C@H](C2)[C@@H]1C(=O)[O-]	ZINC000008473737	304162224	/nfs/dbraw/zinc/16/22/24/304162224.db2.gz	FVOPGJHWZNSVSQ-NWBUJAPZSA-N	-2	0	260.289	2.212	50	0		CEAARL
O=C([O-])c1ccc(C(=O)c2ccccc2)c(C(=O)[O-])c1	ZINC000001578779	304239737	/nfs/dbraw/zinc/23/97/37/304239737.db2.gz	IPRJQOGCIFOIBA-UHFFFAOYSA-N	-2	0	270.240	2.314	50	0	in-vitro	CEAARL
O=C([O-])c1occc1COc1ccc(C(=O)[O-])cc1	ZINC000005074088	304285722	/nfs/dbraw/zinc/28/57/22/304285722.db2.gz	ZFKAFOGXVZJFHY-UHFFFAOYSA-N	-2	0	262.217	2.255	50	0		CEAARL
O=P([O-])([O-])c1ccccc1OCCc1ccccc1	ZINC000009547128	170381259	/nfs/dbraw/zinc/38/12/59/170381259.db2.gz	IZKXXAUZIXWQOT-UHFFFAOYSA-N	-2	0	278.244	2.111	50	0		CEAARL
O=C([O-])CC(CC(=O)[O-])c1cccc(Br)c1	ZINC000057598212	362588005	/nfs/dbraw/zinc/58/80/05/362588005.db2.gz	ZGHDLIGAQHLMOD-UHFFFAOYSA-N	-2	0	287.109	2.482	50	0		CEAARL
O=P([O-])([O-])c1ccccc1OCc1ccccc1F	ZINC000013653671	361435836	/nfs/dbraw/zinc/43/58/36/361435836.db2.gz	PHLLBCPAIAFWGW-UHFFFAOYSA-N	-2	0	282.207	2.208	50	0		CEAARL
CC[C@@H](CCC(=O)Nc1ccc(C(=O)[O-])cc1)C(=O)[O-]	ZINC000004029767	184529556	/nfs/dbraw/zinc/52/95/56/184529556.db2.gz	DSBVWZKRZSRPKZ-VIFPVBQESA-N	-2	0	279.292	2.214	50	0		CEAARL
O=C([O-])c1cccc([N-]S(=O)(=O)c2cccs2)c1	ZINC000000306484	169603537	/nfs/dbraw/zinc/60/35/37/169603537.db2.gz	HGLIUHOTRGFJQZ-UHFFFAOYSA-N	-2	0	283.330	2.247	50	0		CEAARL
O=C([O-])c1ccc(C[C@H]2SC(=O)[N-]C2=O)cc1	ZINC000009014282	304244474	/nfs/dbraw/zinc/24/44/74/304244474.db2.gz	FRBRUKMTQQUPMD-MRVPVSSYSA-N	-2	0	251.263	2.119	50	0		CEAARL
O=C([O-])c1cccc(-n2[n-]c(C(F)(F)F)cc2=O)c1	ZINC000100001599	304255512	/nfs/dbraw/zinc/25/55/12/304255512.db2.gz	MVQFSHMCHSWYFH-UHFFFAOYSA-N	-2	0	272.182	2.295	50	0		CEAARL
Cc1ccc(-c2cc(C(=O)[O-])n3ncc(C(=O)[O-])c3n2)cc1	ZINC000020605052	301467268	/nfs/dbraw/zinc/46/72/68/301467268.db2.gz	LJEDJYWPFQUUQP-UHFFFAOYSA-N	-2	0	297.270	2.101	50	0		CEAARL
O=C([O-])[C@H]1[C@H](C(=O)[O-])C1(c1ccccc1)c1ccccc1	ZINC000004700946	304210652	/nfs/dbraw/zinc/21/06/52/304210652.db2.gz	ZRZIECPVJOBCAO-ZIAGYGMSSA-N	-2	0	282.295	2.388	50	0		CEAARL
O=C([O-])CCn1c2ccccc2n(CCC(=O)[O-])c1=S	ZINC000000040984	169514379	/nfs/dbraw/zinc/51/43/79/169514379.db2.gz	MZZWYKPKOLXPHO-UHFFFAOYSA-N	-2	0	294.332	2.122	50	0		CEAARL
CC[C@@H](C)C(=O)Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000002868684	169838948	/nfs/dbraw/zinc/83/89/48/169838948.db2.gz	IYHOKCLDHXCRKN-SSDOTTSWSA-N	-2	0	265.265	2.068	50	0		CEAARL
O=C([O-])C[C@@H](Sc1nc2ccccc2s1)C(=O)[O-]	ZINC000021303185	171301741	/nfs/dbraw/zinc/30/17/41/171301741.db2.gz	KRDSXENYLDIORL-MRVPVSSYSA-N	-2	0	283.330	2.316	50	0		CEAARL
O=C([O-])c1ccc(NC(=O)Cc2ccccc2C(=O)[O-])cc1	ZINC000038440019	174142206	/nfs/dbraw/zinc/14/22/06/174142206.db2.gz	NUNCBUFSOBKLBE-UHFFFAOYSA-N	-2	0	299.282	2.264	50	0		CEAARL
Cc1cc(=O)n(-c2cc(C)nc(-c3ccccc3[O-])n2)[n-]1	ZINC000000752112	628782621	/nfs/dbraw/zinc/78/26/21/628782621.db2.gz	YMQOWWWXZMMZQI-UHFFFAOYSA-N	-2	0	282.303	2.270	50	0		CEAARL
CCSC(=S)[N-][C@@H](C(=O)[O-])c1ccccc1	ZINC000005908865	343355221	/nfs/dbraw/zinc/35/52/21/343355221.db2.gz	WKVRVEHQWVUECN-SECBINFHSA-N	-2	0	255.364	2.440	50	0		CEAARL
Cc1ccc([C@H]2CCCN(C(=O)[O-])[C@H]2C(=O)[O-])cc1	ZINC000601012956	346731687	/nfs/dbraw/zinc/73/16/87/346731687.db2.gz	PUEGNEWCTLNNHR-VXGBXAGGSA-N	-2	0	263.293	2.306	50	0		CEAARL
O=C([O-])C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)[O-]	ZINC000004110385	361299924	/nfs/dbraw/zinc/29/99/24/361299924.db2.gz	PBVQNDADUSEQRL-QMMMGPOBSA-N	-2	0	279.075	2.300	50	0		CEAARL
O=C([O-])c1ccc(-n2cccc2C=C2NC(=O)[N-]C2=O)cc1	ZINC000013749892	361440987	/nfs/dbraw/zinc/44/09/87/361440987.db2.gz	WMOKBKUDIRNAKD-XYOKQWHBSA-N	-2	0	297.270	2.196	50	0		CEAARL
O=C([O-])c1cc([S@@](=O)[O-])c(Cl)cc1Cl	ZINC000196760586	542367754	/nfs/dbraw/zinc/36/77/54/542367754.db2.gz	RWQFBWJWNXASDU-UHFFFAOYSA-N	-2	0	255.078	2.272	50	0		CEAARL
O=C([O-])c1ccc(NC(=O)c2ccccc2)cc1C(=O)[O-]	ZINC000013954992	623623193	/nfs/dbraw/zinc/62/31/93/623623193.db2.gz	ZKZLELTZEMENKS-UHFFFAOYSA-N	-2	0	285.255	2.335	50	0		CEAARL
O=[P@]([O-])(C[P@](=O)([O-])c1ccccc1)c1ccccc1	ZINC000000295906	361158159	/nfs/dbraw/zinc/15/81/59/361158159.db2.gz	QVCFQPVQMAWGRW-UHFFFAOYSA-N	-2	0	296.199	2.136	50	0		CEAARL
O=C([O-])c1ccccc1C(=O)c1ccc(O)cc1[O-]	ZINC000000439984	361174890	/nfs/dbraw/zinc/17/48/90/361174890.db2.gz	KIEFFPFIBREPIX-UHFFFAOYSA-N	-2	0	258.229	2.027	50	0	in-vitro	CEAARL
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)cs1	ZINC000004618752	361324106	/nfs/dbraw/zinc/32/41/06/361324106.db2.gz	YHDXLCCQMXTNLQ-UHFFFAOYSA-N	-2	0	283.330	2.247	50	0		CEAARL
CC(C)[C@@H](CCC(=O)Nc1ccccc1C(=O)[O-])C(=O)[O-]	ZINC000004751913	361327290	/nfs/dbraw/zinc/32/72/90/361327290.db2.gz	METYWCKWXLPOQJ-SNVBAGLBSA-N	-2	0	293.319	2.460	50	0		CEAARL
O=C([O-])CSC1(SCC(=O)[O-])CCCCC1	ZINC000000067364	304071729	/nfs/dbraw/zinc/07/17/29/304071729.db2.gz	MRWHVJXFUVTCHJ-UHFFFAOYSA-N	-2	0	264.368	2.282	50	0		CEAARL
O=C([O-])C[C@@H](Sc1ccc(Cl)cc1)C(=O)[O-]	ZINC000000107324	361129280	/nfs/dbraw/zinc/12/92/80/361129280.db2.gz	PVXOUDJOKQCGHV-MRVPVSSYSA-N	-2	0	260.698	2.360	50	0		CEAARL
CC1(C)[C@](C)(C(=O)[O-])CC[C@@]1(Br)C(=O)[O-]	ZINC000004023371	281543730	/nfs/dbraw/zinc/54/37/30/281543730.db2.gz	MSIQRDVANPFESF-VHSXEESVSA-N	-2	0	279.130	2.116	50	0		CEAARL
O=C([O-])C[C@@H](Cc1ccc(Br)cc1)C(=O)[O-]	ZINC000004771468	304073707	/nfs/dbraw/zinc/07/37/07/304073707.db2.gz	YEFKUOATBCIQGW-MRVPVSSYSA-N	-2	0	287.109	2.167	50	0		CEAARL
CCCOc1ccc([C@](C)(CC(=O)[O-])C(=O)[O-])cc1	ZINC000002750068	361248173	/nfs/dbraw/zinc/24/81/73/361248173.db2.gz	BFONTILBNIWFDK-AWEZNQCLSA-N	-2	0	266.293	2.292	50	0		CEAARL
O=C([O-])C[C@H](C(=O)[O-])c1cccc(Br)c1	ZINC000014628812	361458937	/nfs/dbraw/zinc/45/89/37/361458937.db2.gz	JRITXMRVPIRIAY-QMMMGPOBSA-N	-2	0	273.082	2.092	50	0		CEAARL
O=C([O-])C[C@H](Sc1ccc(Cl)cc1)C(=O)[O-]	ZINC000000107321	169538501	/nfs/dbraw/zinc/53/85/01/169538501.db2.gz	PVXOUDJOKQCGHV-QMMMGPOBSA-N	-2	0	260.698	2.360	50	0		CEAARL
O=C([O-])c1sccc1[N-]S(=O)(=O)c1ccccc1	ZINC000038137743	174133515	/nfs/dbraw/zinc/13/35/15/174133515.db2.gz	BFPYDKRUFUMDTD-UHFFFAOYSA-N	-2	0	283.330	2.247	50	0		CEAARL
Cc1nc(C)c(C(=O)[O-])c(-c2ccco2)c1C(=O)[O-]	ZINC000000050723	302571952	/nfs/dbraw/zinc/57/19/52/302571952.db2.gz	XZHCNKVDZPHPQA-UHFFFAOYSA-N	-2	0	261.233	2.355	50	0		CEAARL
CCSC(=S)[N-][C@H](C(=O)[O-])c1ccccc1	ZINC000005908853	343355383	/nfs/dbraw/zinc/35/53/83/343355383.db2.gz	WKVRVEHQWVUECN-VIFPVBQESA-N	-2	0	255.364	2.440	50	0		CEAARL
CC[C@](NC(=O)c1ccc(C(=O)[O-])cc1)(C(=O)[O-])C(C)C	ZINC000585139438	345007689	/nfs/dbraw/zinc/00/76/89/345007689.db2.gz	QKKPFNWNXWVPFR-OAHLLOKOSA-N	-2	0	293.319	2.004	50	0		CEAARL
CC(C)(C)OC(=O)Nc1cccc(C(=O)[O-])c1C(=O)[O-]	ZINC000002582902	538746248	/nfs/dbraw/zinc/74/62/48/538746248.db2.gz	PZTGKHDIUBIWHZ-UHFFFAOYSA-N	-2	0	281.264	2.430	50	0		CEAARL
COc1ccc(C(=O)c2ccc(OC)cc2[O-])c([O-])c1	ZINC000000155181	361137230	/nfs/dbraw/zinc/13/72/30/361137230.db2.gz	SODJJEXAWOSSON-UHFFFAOYSA-N	-2	0	274.272	2.346	50	0	in-vitro	CEAARL
O=C([O-])c1ccccc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-]	ZINC000000243763	304270740	/nfs/dbraw/zinc/27/07/40/304270740.db2.gz	MOCBXALUGVMLMU-UWVGGRQHSA-N	-2	0	291.303	2.214	50	0		CEAARL
O=C([O-])c1cn(C2CC2)c2c([O-])c(F)c(F)cc2c1=O	ZINC000038236336	304274256	/nfs/dbraw/zinc/27/42/56/304274256.db2.gz	NTWOKQCCNHKEIU-UHFFFAOYSA-N	-2	0	281.214	2.018	50	0	in-vitro	CEAARL
O=C([O-])c1ccccc1[N-]S(=O)(=O)c1ccccc1F	ZINC000000074635	361123983	/nfs/dbraw/zinc/12/39/83/361123983.db2.gz	SXVCIYIFEXWSNE-UHFFFAOYSA-N	-2	0	295.291	2.325	50	0		CEAARL
O=C([O-])c1ccc([N-]S(=O)(=O)c2cccs2)cc1	ZINC000000440741	361175038	/nfs/dbraw/zinc/17/50/38/361175038.db2.gz	VWLSKCBAWSAIAM-UHFFFAOYSA-N	-2	0	283.330	2.247	50	0		CEAARL
CCCC[C@@](CCC(=O)[O-])(C(=O)[O-])c1csc(N)n1	ZINC000013944029	361444815	/nfs/dbraw/zinc/44/48/15/361444815.db2.gz	PUIZLRKYQAHWFA-LBPRGKRZSA-N	-2	0	286.353	2.103	50	0		CEAARL
O=C([O-])c1ccccc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-]	ZINC000000243760	304270242	/nfs/dbraw/zinc/27/02/42/304270242.db2.gz	MOCBXALUGVMLMU-NXEZZACHSA-N	-2	0	291.303	2.214	50	0		CEAARL
Cc1cc(C)cc(C[C@H](C(=O)[O-])[C@@H](C)C(=O)[O-])c1	ZINC000000249054	301223239	/nfs/dbraw/zinc/22/32/39/301223239.db2.gz	LOVSULDAFPYWMB-PWSUYJOCSA-N	-2	0	250.294	2.267	50	0		CEAARL
O=C([O-])CSC(SCC(=O)[O-])c1ccc(O)cc1	ZINC000003145514	304071917	/nfs/dbraw/zinc/07/19/17/304071917.db2.gz	NGQAHVGADDXGIQ-UHFFFAOYSA-N	-2	0	288.346	2.026	50	0		CEAARL
O=C([O-])Cc1c2cc(Br)ccc2[nH]c1C(=O)[O-]	ZINC000000013232	304087863	/nfs/dbraw/zinc/08/78/63/304087863.db2.gz	QMJWLTUBMZFFKP-UHFFFAOYSA-N	-2	0	298.092	2.256	50	0		CEAARL
Cc1ccc([C@@H](CC(=O)[O-])[N-]C(=O)C(F)(F)F)cc1	ZINC000004050712	361298511	/nfs/dbraw/zinc/29/85/11/361298511.db2.gz	JWJQZMWJJAIQBA-SECBINFHSA-N	-2	0	275.226	2.189	50	0		CEAARL
O=C([O-])C[C@@H](C(=O)[O-])c1cccc(Br)c1	ZINC000014628810	361459310	/nfs/dbraw/zinc/45/93/10/361459310.db2.gz	JRITXMRVPIRIAY-MRVPVSSYSA-N	-2	0	273.082	2.092	50	0		CEAARL
Cc1ccc([C@@H]2CCCN(C(=O)[O-])[C@H]2C(=O)[O-])cc1	ZINC000601012954	346731647	/nfs/dbraw/zinc/73/16/47/346731647.db2.gz	PUEGNEWCTLNNHR-NWDGAFQWSA-N	-2	0	263.293	2.306	50	0		CEAARL
O=C([O-])CCCOc1ccc([S@](=O)[O-])cc1Cl	ZINC000675062074	540082146	/nfs/dbraw/zinc/08/21/46/540082146.db2.gz	CIHKWQCLFCAUGO-UHFFFAOYSA-N	-2	0	278.713	2.164	50	0		CEAARL
CCn1cc([C@H](CC(=O)[O-])C(=O)[O-])c2ccccc21	ZINC000000818800	361193404	/nfs/dbraw/zinc/19/34/04/361193404.db2.gz	SNMNMVFPEMUKPS-JTQLQIEISA-N	-2	0	261.277	2.304	50	0		CEAARL
Cc1cc(=O)n(-c2cc(C)nc(-c3ccccc3[O-])n2)[n-]1	ZINC000103804532	364669465	/nfs/dbraw/zinc/66/94/65/364669465.db2.gz	SRZOLSXFTPEARE-UHFFFAOYSA-N	-2	0	282.303	2.357	50	0		CEAARL
Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1CC(=O)[O-]	ZINC000004999816	170052548	/nfs/dbraw/zinc/05/25/48/170052548.db2.gz	AHUSXBQUAIXSFN-UHFFFAOYSA-N	-2	0	266.684	2.167	50	0		CEAARL
O=C([O-])CCCCn1c(=O)c2sccc2[n-]c1=S	ZINC000002925489	361258561	/nfs/dbraw/zinc/25/85/61/361258561.db2.gz	OTVIBJCNPDCHNX-UHFFFAOYSA-N	-2	0	284.362	2.375	50	0		CEAARL
O=C([O-])c1cccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c1	ZINC000000233248	304262925	/nfs/dbraw/zinc/26/29/25/304262925.db2.gz	LHZDDILKQAJPCN-NEPJUHHUSA-N	-2	0	291.303	2.214	50	0		CEAARL
O=Cc1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)o1	ZINC000004833426	170026144	/nfs/dbraw/zinc/02/61/44/170026144.db2.gz	HWERSVSIMNIHRY-UHFFFAOYSA-N	-2	0	260.201	2.156	50	0		CEAARL
Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C)c1	ZINC000055311054	362549074	/nfs/dbraw/zinc/54/90/74/362549074.db2.gz	MTMIJQXWZOKKMA-UHFFFAOYSA-N	-2	0	295.316	2.395	50	0		CEAARL
CCCOc1ccc([C@@](C)(CC(=O)[O-])C(=O)[O-])cc1	ZINC000002750067	361247898	/nfs/dbraw/zinc/24/78/98/361247898.db2.gz	BFONTILBNIWFDK-CQSZACIVSA-N	-2	0	266.293	2.292	50	0		CEAARL
CC(C)(Cc1c(C(=O)[O-])cnn1-c1ccccc1)C(=O)[O-]	ZINC000003172027	361267260	/nfs/dbraw/zinc/26/72/60/361267260.db2.gz	CFJHPBCHQHDBHO-UHFFFAOYSA-N	-2	0	288.303	2.224	50	0		CEAARL
CC(C)CC(C)(SCC(=O)[O-])SCC(=O)[O-]	ZINC000002160637	278725617	/nfs/dbraw/zinc/72/56/17/278725617.db2.gz	JQAVTQJLNGYHBY-UHFFFAOYSA-N	-2	0	266.384	2.384	50	0		CEAARL
CC[C@@](NC(=O)c1ccc(C(=O)[O-])cc1)(C(=O)[O-])C(C)C	ZINC000585139437	345007734	/nfs/dbraw/zinc/00/77/34/345007734.db2.gz	QKKPFNWNXWVPFR-HNNXBMFYSA-N	-2	0	293.319	2.004	50	0		CEAARL
CC(C)(C)OC(=O)Nc1cc(C(=O)[O-])ccc1C(=O)[O-]	ZINC000002582900	538745774	/nfs/dbraw/zinc/74/57/74/538745774.db2.gz	DREUUSIJRIKGPQ-UHFFFAOYSA-N	-2	0	281.264	2.430	50	0		CEAARL
CC[C@H](CCC(=O)Nc1cccc(C(=O)[O-])c1)C(=O)[O-]	ZINC000000207533	361146324	/nfs/dbraw/zinc/14/63/24/361146324.db2.gz	YTWWJFHXEWQKLX-SECBINFHSA-N	-2	0	279.292	2.214	50	0		CEAARL
CC[C@H](C)C(=O)Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000002868685	361256834	/nfs/dbraw/zinc/25/68/34/361256834.db2.gz	IYHOKCLDHXCRKN-ZETCQYMHSA-N	-2	0	265.265	2.068	50	0		CEAARL
O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(O)cc2)c1	ZINC000065340137	304223776	/nfs/dbraw/zinc/22/37/76/304223776.db2.gz	PUEJCTNHESKEDO-UHFFFAOYSA-N	-2	0	258.229	2.456	50	0		CEAARL
CCSc1nc2ccccc2n1[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000005042099	170059603	/nfs/dbraw/zinc/05/96/03/170059603.db2.gz	VJFVQMGXIMUXEX-JTQLQIEISA-N	-2	0	294.332	2.249	50	0		CEAARL
CC(C)Oc1ccc([C@@H](CC(=O)[O-])C(=O)[O-])cc1	ZINC000000255482	361152612	/nfs/dbraw/zinc/15/26/12/361152612.db2.gz	FPHZIGCDKMMMHF-LLVKDONJSA-N	-2	0	252.266	2.117	50	0		CEAARL
Cc1c2cc(Cl)c([O-])cc2oc(=O)c1CCC(=O)[O-]	ZINC000004749028	170011107	/nfs/dbraw/zinc/01/11/07/170011107.db2.gz	XWLAZIUBADTDSF-UHFFFAOYSA-N	-2	0	282.679	2.478	50	0		CEAARL
O=C([O-])C[C@@H]([N-]C(=O)C(F)(F)F)c1cccc(F)c1	ZINC000004085619	361299182	/nfs/dbraw/zinc/29/91/82/361299182.db2.gz	SVRYOEPAUNPIMZ-MRVPVSSYSA-N	-2	0	279.189	2.020	50	0		CEAARL
Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)[O-]	ZINC000100489077	364546727	/nfs/dbraw/zinc/54/67/27/364546727.db2.gz	CTLSYMXLMGGLIB-NSHDSACASA-N	-2	0	264.256	2.029	50	0		CEAARL
CC(C)C[C@H](NC(=O)Nc1cccc(C(=O)[O-])c1)C(=O)[O-]	ZINC000004064083	528566930	/nfs/dbraw/zinc/56/69/30/528566930.db2.gz	IEPIXDVUIZVCGF-NSHDSACASA-N	-2	0	294.307	2.006	50	0		CEAARL
O=C([O-])c1cc(NC(=O)c2cccs2)cc(C(=O)[O-])c1	ZINC000000264129	361154675	/nfs/dbraw/zinc/15/46/75/361154675.db2.gz	VHEOKXJRJUKRCE-UHFFFAOYSA-N	-2	0	291.284	2.397	50	0		CEAARL
O=C([O-])C(=O)C=C([O-])c1ccc(Cl)cc1Cl	ZINC000022113519	171353085	/nfs/dbraw/zinc/35/30/85/171353085.db2.gz	RKFICNZDWSKKRL-UHFFFAOYSA-N	-2	0	261.060	2.220	50	0		CEAARL
O=P([O-])([O-])c1ccccc1OCc1ccccc1	ZINC000001870285	361223187	/nfs/dbraw/zinc/22/31/87/361223187.db2.gz	HCGRZKQJKAPKMJ-UHFFFAOYSA-N	-2	0	264.217	2.069	50	0		CEAARL
Cc1nc2c(-c3ccccc3)c[n-]n2c(=O)c1CCC(=O)[O-]	ZINC000010383731	361350473	/nfs/dbraw/zinc/35/04/73/361350473.db2.gz	YBDMIOVFJOYBLD-UHFFFAOYSA-N	-2	0	297.314	2.015	50	0		CEAARL
O=C([O-])c1ccc(-n2[n-]c(C(F)(F)F)cc2=O)cc1	ZINC000100782198	304231062	/nfs/dbraw/zinc/23/10/62/304231062.db2.gz	FDDPJBXONFOGBQ-UHFFFAOYSA-N	-2	0	272.182	2.295	50	0		CEAARL
O=C([O-])CCn1c(=O)c2oc3ccccc3c2[n-]c1=S	ZINC000101389083	304064843	/nfs/dbraw/zinc/06/48/43/304064843.db2.gz	WEXCKJAGXYRKFJ-UHFFFAOYSA-N	-2	0	290.300	2.280	50	0		CEAARL
Cc1[n-]n2c(nc(C(=O)[O-])cc2=O)c1-c1ccccc1	ZINC000102738797	364606990	/nfs/dbraw/zinc/60/69/90/364606990.db2.gz	DEZWJSOZGDDPFX-UHFFFAOYSA-N	-2	0	269.260	2.109	50	0		CEAARL
O=C([O-])c1ccc(C(=O)c2ccccc2C(=O)[O-])cc1	ZINC000000394370	361169035	/nfs/dbraw/zinc/16/90/35/361169035.db2.gz	RWHRIIMYBNGFEV-UHFFFAOYSA-N	-2	0	270.240	2.314	50	0		CEAARL
Cc1cccc([C@H](CC(=O)[O-])[N-]C(=O)C(F)(F)F)c1	ZINC000002505765	361236381	/nfs/dbraw/zinc/23/63/81/361236381.db2.gz	MLBPCEJDOPFPJU-VIFPVBQESA-N	-2	0	275.226	2.189	50	0		CEAARL
O=C([O-])C[C@H](C(=O)[O-])c1ccc(Br)cc1	ZINC000012957199	361411637	/nfs/dbraw/zinc/41/16/37/361411637.db2.gz	OVOOMMVRUQGTIQ-QMMMGPOBSA-N	-2	0	273.082	2.092	50	0		CEAARL
O=C([O-])c1ccc(C(=O)c2ccccc2)cc1C(=O)[O-]	ZINC000000188358	304239769	/nfs/dbraw/zinc/23/97/69/304239769.db2.gz	ZZVNHEZUTFXFHU-UHFFFAOYSA-N	-2	0	270.240	2.314	50	0		CEAARL
O=C([O-])c1ccc2c(c1)C(=O)N(c1ccccc1[S-])C2=O	ZINC000013857692	304252269	/nfs/dbraw/zinc/25/22/69/304252269.db2.gz	KUDCLYVMYXFRHR-UHFFFAOYSA-N	-2	0	299.307	2.474	50	0		CEAARL
Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)[O-]	ZINC000012504960	170491231	/nfs/dbraw/zinc/49/12/31/170491231.db2.gz	CTLSYMXLMGGLIB-LLVKDONJSA-N	-2	0	264.256	2.029	50	0		CEAARL
O=C([O-])c1ccc(C(O)c2ccc(C(=O)[O-])cc2)cc1	ZINC000032189977	171720515	/nfs/dbraw/zinc/72/05/15/171720515.db2.gz	NMAYQOHIMPTMGC-UHFFFAOYSA-N	-2	0	272.256	2.165	50	0		CEAARL
Cc1cc(C)cc(C[C@@H](C(=O)[O-])[C@H](C)C(=O)[O-])c1	ZINC000000249061	301223155	/nfs/dbraw/zinc/22/31/55/301223155.db2.gz	LOVSULDAFPYWMB-CMPLNLGQSA-N	-2	0	250.294	2.267	50	0		CEAARL
Cc1cc([N-]S(=O)(=O)c2ccco2)cc(C(=O)[O-])c1	ZINC000390834690	344838862	/nfs/dbraw/zinc/83/88/62/344838862.db2.gz	PLWXTVFUPWORGC-UHFFFAOYSA-N	-2	0	281.289	2.087	50	0		CEAARL
CC(C)Oc1ccc([C@H](CC(=O)[O-])C(=O)[O-])cc1	ZINC000000255486	361152345	/nfs/dbraw/zinc/15/23/45/361152345.db2.gz	FPHZIGCDKMMMHF-NSHDSACASA-N	-2	0	252.266	2.117	50	0		CEAARL
O=C([O-])c1cc(C(=O)[O-])c(COc2ccccc2)o1	ZINC000003157997	304223466	/nfs/dbraw/zinc/22/34/66/304223466.db2.gz	WYRKUEGVMUEVTL-UHFFFAOYSA-N	-2	0	262.217	2.255	50	0		CEAARL
O=C([O-])c1cccc(-n2c(-c3cnccn3)n[n-]c2=S)c1	ZINC000005804434	170141776	/nfs/dbraw/zinc/14/17/76/170141776.db2.gz	CKGYBILOKMZKOF-UHFFFAOYSA-N	-2	0	299.315	2.085	50	0		CEAARL
S=C([S-])NCC1CCC(CNC(=S)[S-])CC1	ZINC000005839834	170146238	/nfs/dbraw/zinc/14/62/38/170146238.db2.gz	ATCZBIMOYXCLNQ-UHFFFAOYSA-N	-2	0	294.536	2.401	50	0		CEAARL
C[C@@H](O)c1cccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)n1	ZINC000534646594	328329888	/nfs/dbraw/zinc/32/98/88/328329888.db2.gz	CZLQTTRAGVGUAZ-MRVPVSSYSA-N	-2	0	287.271	2.198	50	0		CEAARL
O=Nc1ccc2cc(S(=O)(=O)[O-])ccc2c1[O-]	ZINC000034173956	361787085	/nfs/dbraw/zinc/78/70/85/361787085.db2.gz	QUJXMJLDSGGGSM-UHFFFAOYSA-N	-2	0	253.235	2.190	50	0		CEAARL
Nc1ccc(Nc2ccc(O)c(C(=O)[O-])c2)c(C(=O)[O-])c1	ZINC000504677273	379073944	/nfs/dbraw/zinc/07/39/44/379073944.db2.gz	FNKYNYBONZATNB-UHFFFAOYSA-N	-2	0	288.259	2.114	50	0		CEAARL
CC(C)[C@H](CCC(=O)Nc1ccccc1C(=O)[O-])C(=O)[O-]	ZINC000004751915	280231015	/nfs/dbraw/zinc/23/10/15/280231015.db2.gz	METYWCKWXLPOQJ-JTQLQIEISA-N	-2	0	293.319	2.460	50	0		CEAARL
O=C([O-])c1cc(-c2ccc(O)c(C(=O)[O-])c2)ccc1O	ZINC000034572642	361792004	/nfs/dbraw/zinc/79/20/04/361792004.db2.gz	UISWLBIMLGAHMF-UHFFFAOYSA-N	-2	0	274.228	2.161	50	0		CEAARL
O=C([O-])CC[C@H]1CCCCN1C(=O)c1cccc(F)c1[O-]	ZINC000221355297	304062718	/nfs/dbraw/zinc/06/27/18/304062718.db2.gz	DCERRFXHVBLSOU-SNVBAGLBSA-N	-2	0	295.310	2.391	50	0		CEAARL
O=C([O-])c1ccc(C(=O)c2ccc(O)cc2)cc1C(=O)[O-]	ZINC000000284514	361156774	/nfs/dbraw/zinc/15/67/74/361156774.db2.gz	QBNQZYSYEDBAIE-UHFFFAOYSA-N	-2	0	286.239	2.020	50	0		CEAARL
CCCCc1c(C(=O)[O-])cc(OC)cc1C(=O)[O-]	ZINC000002124520	361227844	/nfs/dbraw/zinc/22/78/44/361227844.db2.gz	YCCVZHXWYIJORH-UHFFFAOYSA-N	-2	0	252.266	2.434	50	0		CEAARL
O=C([O-])/C=C\c1cn(CCC(=O)[O-])nc1-c1ccccc1	ZINC000006454259	170202580	/nfs/dbraw/zinc/20/25/80/170202580.db2.gz	NIXJSFZJLGUIGZ-SREVYHEPSA-N	-2	0	286.287	2.123	50	0		CEAARL
CC(=C/C(=O)[O-])/C(=C\c1ccc(Cl)o1)C(=O)[O-]	ZINC000005822910	277928524	/nfs/dbraw/zinc/92/85/24/277928524.db2.gz	PSLIGPIKOFZLBJ-QXMOYCCXSA-N	-2	0	256.641	2.432	50	0		CEAARL
O=C([O-])c1csc(S(=O)(=O)[N-]c2ccccc2)c1	ZINC000013299871	326838849	/nfs/dbraw/zinc/83/88/49/326838849.db2.gz	QWMJCTNHMGIMOP-UHFFFAOYSA-N	-2	0	283.330	2.247	50	0		CEAARL
Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1CC(=O)[O-]	ZINC000006678050	302725630	/nfs/dbraw/zinc/72/56/30/302725630.db2.gz	INHRDDJCARVXIJ-UHFFFAOYSA-N	-2	0	266.684	2.167	50	0		CEAARL
CC(SCC(=O)[O-])(SCC(=O)[O-])c1ccccc1	ZINC000002160621	361229232	/nfs/dbraw/zinc/22/92/32/361229232.db2.gz	BPPUSEANDYGIEX-UHFFFAOYSA-N	-2	0	286.374	2.495	50	0		CEAARL
CCCCC(=O)Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000003005151	361261354	/nfs/dbraw/zinc/26/13/54/361261354.db2.gz	JSSDFVIUELNZQN-UHFFFAOYSA-N	-2	0	265.265	2.212	50	0		CEAARL
O=C([O-])c1ccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cc1	ZINC000000293026	304247921	/nfs/dbraw/zinc/24/79/21/304247921.db2.gz	ULAUXEJKVWFIPU-NWDGAFQWSA-N	-2	0	291.303	2.214	50	0		CEAARL
Cc1ccc([C@H]2CCCN(C(=O)[O-])[C@@H]2C(=O)[O-])cc1	ZINC000601012953	346731776	/nfs/dbraw/zinc/73/17/76/346731776.db2.gz	PUEGNEWCTLNNHR-NEPJUHHUSA-N	-2	0	263.293	2.306	50	0		CEAARL
O=C([O-])C[C@H](Sc1nc2ccccc2s1)C(=O)[O-]	ZINC000002504744	361236606	/nfs/dbraw/zinc/23/66/06/361236606.db2.gz	KRDSXENYLDIORL-QMMMGPOBSA-N	-2	0	283.330	2.316	50	0		CEAARL
O=C([O-])c1ccc(-c2ccc(S(=O)(=O)[O-])cc2)cc1	ZINC000003172886	361267221	/nfs/dbraw/zinc/26/72/21/361267221.db2.gz	PWULGFUNKQJPNG-UHFFFAOYSA-N	-2	0	278.285	2.299	50	0		CEAARL
O=C([O-])/C=C/c1cn(CCC(=O)[O-])nc1-c1ccccc1	ZINC000003272949	361270912	/nfs/dbraw/zinc/27/09/12/361270912.db2.gz	NIXJSFZJLGUIGZ-VOTSOKGWSA-N	-2	0	286.287	2.123	50	0		CEAARL
Cc1ccccc1[C@@H](CC(=O)[O-])[N-]C(=O)C(F)(F)F	ZINC000004085622	361299030	/nfs/dbraw/zinc/29/90/30/361299030.db2.gz	ZLCQGUINOMPKMH-SECBINFHSA-N	-2	0	275.226	2.189	50	0		CEAARL
CC[C@H](CCC(=O)Nc1ccc(C(=O)[O-])cc1)C(=O)[O-]	ZINC000004029768	361297924	/nfs/dbraw/zinc/29/79/24/361297924.db2.gz	DSBVWZKRZSRPKZ-SECBINFHSA-N	-2	0	279.292	2.214	50	0		CEAARL
O=C([O-])c1ccc(C(=O)c2ccc(C(=O)[O-])cc2)cc1	ZINC000002146859	304239922	/nfs/dbraw/zinc/23/99/22/304239922.db2.gz	LFEWXDOYPCWFHR-UHFFFAOYSA-N	-2	0	270.240	2.314	50	0		CEAARL
O=C([O-])c1ccc(C(=O)NCc2ccccc2)c(C(=O)[O-])c1	ZINC000005610683	170119585	/nfs/dbraw/zinc/11/95/85/170119585.db2.gz	INDDPGIEZUYXMI-UHFFFAOYSA-N	-2	0	299.282	2.013	50	0		CEAARL
CC(C)Cn1c(=O)c2ccc(C(=O)[O-])cc2[n-]c1=S	ZINC000005827608	279251608	/nfs/dbraw/zinc/25/16/08/279251608.db2.gz	KARRMKIQVJGJSZ-UHFFFAOYSA-N	-2	0	278.333	2.413	50	0		CEAARL
O=C([O-])c1ccc(-c2cccc(S(=O)(=O)[O-])c2)cc1	ZINC000585137530	813699378	/nfs/dbraw/zinc/69/93/78/813699378.db2.gz	DGLLJLGHZJSSJE-UHFFFAOYSA-N	-2	0	278.285	2.299	50	0		CEAARL
CC(C)CC(=O)Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000004695731	170000212	/nfs/dbraw/zinc/00/02/12/170000212.db2.gz	VQCLDAPPPUUUQC-UHFFFAOYSA-N	-2	0	265.265	2.068	50	0		CEAARL
O=C([O-])c1cc(NC(=O)c2ccccc2)cc(C(=O)[O-])c1	ZINC000004713401	170003381	/nfs/dbraw/zinc/00/33/81/170003381.db2.gz	AFRFDEPXCLSYCP-UHFFFAOYSA-N	-2	0	285.255	2.335	50	0		CEAARL
O=C([O-])c1ccccc1CC(=O)Nc1ccccc1C(=O)[O-]	ZINC000038982206	174161041	/nfs/dbraw/zinc/16/10/41/174161041.db2.gz	BXSSNADJEBJSLM-UHFFFAOYSA-N	-2	0	299.282	2.264	50	0		CEAARL
C[C@H](O)c1cccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)n1	ZINC000534646595	328330015	/nfs/dbraw/zinc/33/00/15/328330015.db2.gz	CZLQTTRAGVGUAZ-QMMMGPOBSA-N	-2	0	287.271	2.198	50	0		CEAARL
S=C([S-])NCCCCCCNC(=S)[S-]	ZINC000001628301	361212562	/nfs/dbraw/zinc/21/25/62/361212562.db2.gz	OIRYQVNBUOYUHW-UHFFFAOYSA-N	-2	0	268.498	2.155	50	0		CEAARL
O=C([O-])C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)[O-]	ZINC000004110386	361299912	/nfs/dbraw/zinc/29/99/12/361299912.db2.gz	PBVQNDADUSEQRL-MRVPVSSYSA-N	-2	0	279.075	2.300	50	0		CEAARL
O=C([O-])c1ccc(-n2[n-]c(C(F)(F)F)cc2=O)cc1	ZINC000004778748	304247260	/nfs/dbraw/zinc/24/72/60/304247260.db2.gz	YZDQDFGZHALOHA-UHFFFAOYSA-N	-2	0	272.182	2.040	50	0		CEAARL
O=C([O-])c1cncc(-c2ccc(C(=O)[O-])c(F)c2)c1	ZINC000065348411	304279517	/nfs/dbraw/zinc/27/95/17/304279517.db2.gz	HODASSBFEUUHHM-UHFFFAOYSA-N	-2	0	261.208	2.284	50	0		CEAARL
Cc1c2cc(Cl)c([O-])cc2oc(=O)c1CC(=O)[O-]	ZINC000008733317	170351868	/nfs/dbraw/zinc/35/18/68/170351868.db2.gz	KQHAKVVKZMVIQM-UHFFFAOYSA-N	-2	0	268.652	2.088	50	0		CEAARL
O=C([O-])C[C@H](C(=O)[O-])c1ccccc1Br	ZINC000071610032	176231465	/nfs/dbraw/zinc/23/14/65/176231465.db2.gz	ZYVUHPNGZXZEFZ-ZETCQYMHSA-N	-2	0	273.082	2.092	50	0		CEAARL
O=C([O-])CC(CC(=O)[O-])c1ccccc1Br	ZINC000071643489	176239725	/nfs/dbraw/zinc/23/97/25/176239725.db2.gz	ZVIDNIAPUGGGFR-UHFFFAOYSA-N	-2	0	287.109	2.482	50	0		CEAARL
O=C([O-])c1ccc([N-]S(=O)(=O)c2ccccc2F)cc1	ZINC000000074641	361123790	/nfs/dbraw/zinc/12/37/90/361123790.db2.gz	HADUKEXPXYPMIY-UHFFFAOYSA-N	-2	0	295.291	2.325	50	0		CEAARL
O=C([O-])c1cc(C(=O)[O-])c(-c2ccccc2)c(C(=O)[O-])c1	ZINC000000285251	304223375	/nfs/dbraw/zinc/22/33/75/304223375.db2.gz	SOBWEZVBQVVHFF-UHFFFAOYSA-N	-3	0	286.239	2.448	50	0		CEAARL
CC(C)COc1ccc([C@H](CC(=O)[O-])C(=O)[O-])cc1	ZINC000000206936	169574783	/nfs/dbraw/zinc/57/47/83/169574783.db2.gz	CDYRCTNSYGHPTR-LBPRGKRZSA-N	-2	0	266.293	2.364	50	0		CEAARL
O=C([O-])c1cccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])c1	ZINC000000233244	304263066	/nfs/dbraw/zinc/26/30/66/304263066.db2.gz	LHZDDILKQAJPCN-NWDGAFQWSA-N	-2	0	291.303	2.214	50	0		CEAARL
O=C([O-])c1ccc(-n2c(-c3cnccn3)n[n-]c2=S)cc1	ZINC000005927135	170156562	/nfs/dbraw/zinc/15/65/62/170156562.db2.gz	JLSYTBJCWRCOBP-UHFFFAOYSA-N	-2	0	299.315	2.085	50	0		CEAARL
O=C([O-])c1cccc([N-]S(=O)(=O)c2ccccc2F)c1	ZINC000035600825	172288849	/nfs/dbraw/zinc/28/88/49/172288849.db2.gz	DVRJXOUAZDPBSW-UHFFFAOYSA-N	-2	0	295.291	2.325	50	0		CEAARL
O=C([O-])CC[C@H](Cc1ccc(Cl)cc1)C(=O)[O-]	ZINC000057958410	175603694	/nfs/dbraw/zinc/60/36/94/175603694.db2.gz	WRYLMBSIVXCOPU-SECBINFHSA-N	-2	0	256.685	2.448	50	0		CEAARL
O=C([O-])c1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1	ZINC000000190179	361142748	/nfs/dbraw/zinc/14/27/48/361142748.db2.gz	DGZLMOPIPKVXCI-UHFFFAOYSA-N	-2	0	285.255	2.335	50	0		CEAARL
O=P([O-])([O-])c1ccccc1OCc1ccc(F)cc1	ZINC000013655520	361436122	/nfs/dbraw/zinc/43/61/22/361436122.db2.gz	WROFZOZGARSHFJ-UHFFFAOYSA-N	-2	0	282.207	2.208	50	0		CEAARL
COc1cccc(/C=C(/CCC(=O)[O-])C(=O)[O-])c1	ZINC000025540439	361628238	/nfs/dbraw/zinc/62/82/38/361628238.db2.gz	SQXCGCZWOLVRGM-YFHOEESVSA-N	-2	0	250.250	2.028	50	0		CEAARL
O=C([O-])c1cc(Cl)c(C(=O)[O-])c(C(=O)[O-])c1Cl	ZINC000034769231	304224259	/nfs/dbraw/zinc/22/42/59/304224259.db2.gz	WFLALXNBVTWGKP-UHFFFAOYSA-N	-3	0	279.031	2.088	50	0		CEAARL
Cc1oc2ccc(O[C@@H](C)C(=O)[O-])cc2c1C(=O)[O-]	ZINC000000407145	361170548	/nfs/dbraw/zinc/17/05/48/361170548.db2.gz	BDJZAKFLBOEMNK-ZETCQYMHSA-N	-2	0	264.233	2.291	50	0		CEAARL
Cc1cc(CCC(=O)[O-])c(C)cc1CCC(=O)[O-]	ZINC000004338255	361312161	/nfs/dbraw/zinc/31/21/61/361312161.db2.gz	VHASQTZEUDZMIX-UHFFFAOYSA-N	-2	0	250.294	2.338	50	0		CEAARL
CC(=C\C(=O)[O-])/C(=C/c1ccc(Cl)o1)C(=O)[O-]	ZINC000012342762	170477284	/nfs/dbraw/zinc/47/72/84/170477284.db2.gz	PSLIGPIKOFZLBJ-NDWVUGOJSA-N	-2	0	256.641	2.432	50	0		CEAARL