smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1c([O-])nc(-c2ccc(F)cc2Cl)[n-]c1=O	ZINC000110619713	186305426	/nfs/dbraw/zinc/30/54/26/186305426.db2.gz	JUHZGEMEJOVTNW-UHFFFAOYSA-N	-2	1	268.675	2.497	10	0		CEAEML
Cc1nc(-c2ccccc2Cl)[n-]c(=O)c1CC(=O)[O-]	ZINC000050438879	526606592	/nfs/dbraw/zinc/60/65/92/526606592.db2.gz	FSBDDPXZWMHZJY-UHFFFAOYSA-N	-2	1	278.695	2.026	10	0		CEAEML
CCCc1cc(=O)[n-]c(SCCCCC(=O)[O-])n1	ZINC000020474284	171218661	/nfs/dbraw/zinc/21/86/61/171218661.db2.gz	NSLGESREOWIPSP-UHFFFAOYSA-N	-2	1	270.354	2.069	10	0		CEAEML
O=C([O-])c1sccc1NC(=O)c1ccccc1[O-]	ZINC000022149710	171358056	/nfs/dbraw/zinc/35/80/56/171358056.db2.gz	QDEMEYWTGPSVRG-UHFFFAOYSA-N	-2	1	263.274	2.404	10	0		CEAEML
O=c1cc([O-])nc(-c2cccc(Cl)c2Cl)[n-]1	ZINC000082480536	178050474	/nfs/dbraw/zinc/05/04/74/178050474.db2.gz	AAUUVPDZFJYHPI-UHFFFAOYSA-N	-2	1	257.076	2.449	10	0		CEAEML
CC(C)n1cc([N-]c2nnc(SCC(=O)[O-])s2)cn1	ZINC000061683786	519967695	/nfs/dbraw/zinc/96/76/95/519967695.db2.gz	QFCDRPOEIOBTKJ-UHFFFAOYSA-N	-2	1	299.381	2.236	10	0		CEAEML
O=C([O-])[C@H]1CCC[C@@H]1NC(=O)c1ccc(Cl)cc1[O-]	ZINC000085321242	179015149	/nfs/dbraw/zinc/01/51/49/179015149.db2.gz	NADABRNKJGZHAR-WPRPVWTQSA-N	-2	1	283.711	2.029	10	0		CEAEML
C[C@H](SCc1cc(=O)oc2cc([O-])ccc12)C(=O)[O-]	ZINC000037405461	173181171	/nfs/dbraw/zinc/18/11/71/173181171.db2.gz	OHQXKFCFVGZVAN-ZETCQYMHSA-N	-2	1	280.301	2.205	10	0		CEAEML
O=C([O-])c1ccc(NC(=O)c2cncc([O-])c2)c(Cl)c1	ZINC000071392567	176149248	/nfs/dbraw/zinc/14/92/48/176149248.db2.gz	IFUANYIBVISWJK-UHFFFAOYSA-N	-2	1	292.678	2.391	10	0		CEAEML
Cc1cc(=O)[n-]c(Sc2ccc(C(=O)[O-])cc2F)n1	ZINC000054553968	525344976	/nfs/dbraw/zinc/34/49/76/525344976.db2.gz	KMDXNSQAGMBADG-UHFFFAOYSA-N	-2	1	280.280	2.479	10	0		CEAEML
O=C([O-])C[C@@H](Sc1nccc(=O)[n-]1)c1ccccc1	ZINC000062765706	527625511	/nfs/dbraw/zinc/62/55/11/527625511.db2.gz	WNXLSILPCSWMRB-SNVBAGLBSA-N	-2	1	276.317	2.078	10	0		CEAEML
O=C([O-])C(Cc1cc2ccccc2s1)C(=O)[O-]	ZINC000002505332	343351885	/nfs/dbraw/zinc/35/18/85/343351885.db2.gz	ZDSLDRJVBRTSNH-UHFFFAOYSA-N	-2	1	250.275	2.229	10	0		CEAEML
O=C([O-])Cc1ccc2c(c1)CCc1cc([O-])ccc1C2=O	ZINC000026393101	361639000	/nfs/dbraw/zinc/63/90/00/361639000.db2.gz	PMYWSIVSGUUPHH-UHFFFAOYSA-N	-2	1	282.295	2.349	10	0		CEAEML
Cc1cc(=O)[n-]c(SCc2ccc(C(=O)[O-])cc2)n1	ZINC000020394403	171180784	/nfs/dbraw/zinc/18/07/84/171180784.db2.gz	HSSUPLIKKISJMY-UHFFFAOYSA-N	-2	1	276.317	2.069	10	0		CEAEML
CC[C@@H](NC(=O)c1ccc2ccccc2c1[O-])C(=O)[O-]	ZINC000035409750	172180511	/nfs/dbraw/zinc/18/05/11/172180511.db2.gz	OYVJHSQEUVOCDD-GFCCVEGCSA-N	-2	1	273.288	2.138	10	0		CEAEML
CC(C)[C@@H](C(=O)[O-])[C@H](O)c1ccc([O-])c(Cl)c1	ZINC000052265226	519789736	/nfs/dbraw/zinc/78/97/36/519789736.db2.gz	UDEPUKIZLNBXSD-GHMZBOCLSA-N	-2	1	258.701	2.436	10	0		CEAEML
CCN(C(=O)c1cc(Cl)ccc1[O-])[C@@H](C)CC(=O)[O-]	ZINC000061178583	520068201	/nfs/dbraw/zinc/06/82/01/520068201.db2.gz	SSWICHUIEUWKBV-QMMMGPOBSA-N	-2	1	285.727	2.371	10	0		CEAEML
Cc1cc(=O)[n-]c(SCc2ccc(C(=O)[O-])cc2F)n1	ZINC000062765332	526120277	/nfs/dbraw/zinc/12/02/77/526120277.db2.gz	QZCJCBLAHSGKEA-UHFFFAOYSA-N	-2	1	294.307	2.208	10	0		CEAEML
O=C([O-])c1ccc(NC(=O)c2ccc(O)cc2[O-])cc1	ZINC000022169885	171367527	/nfs/dbraw/zinc/36/75/27/171367527.db2.gz	BCSDEQBONWKQSP-UHFFFAOYSA-N	-2	1	273.244	2.048	10	0		CEAEML
CCN(C(=O)c1ccc(Cl)cc1[O-])[C@@H](C)CC(=O)[O-]	ZINC000061178410	520084815	/nfs/dbraw/zinc/08/48/15/520084815.db2.gz	XZOCQWDMPSXKSE-QMMMGPOBSA-N	-2	1	285.727	2.371	10	0		CEAEML
CCCc1cc(=O)[n-]c(S[C@@H]2CCC[C@@H]2C(=O)[O-])n1	ZINC000062765085	521344612	/nfs/dbraw/zinc/34/46/12/521344612.db2.gz	VZMDIPYXYFYKFR-VHSXEESVSA-N	-2	1	282.365	2.068	10	0		CEAEML
Cc1cc(=O)[n-]c(SCc2ccsc2C(=O)[O-])n1	ZINC000110953089	186336661	/nfs/dbraw/zinc/33/66/61/186336661.db2.gz	BVBCKVAOWPOCMB-UHFFFAOYSA-N	-2	1	282.346	2.130	10	0		CEAEML
CCCc1cc(=O)[n-]c(Sc2ccc(C(=O)[O-])o2)n1	ZINC000050909601	521348337	/nfs/dbraw/zinc/34/83/37/521348337.db2.gz	CLWFYMOLTDHYJD-UHFFFAOYSA-N	-2	1	280.305	2.165	10	0		CEAEML
CC(=O)N([C@H](C(=O)[O-])c1ccc([O-])c(Cl)c1)C1CC1	ZINC000111061159	186349660	/nfs/dbraw/zinc/34/96/60/186349660.db2.gz	CUCFNQJXIZKHQK-LBPRGKRZSA-N	-2	1	283.711	2.182	10	0		CEAEML
CCN(C(=O)c1cc(Cl)ccc1[O-])C(C)(C)C(=O)[O-]	ZINC000061149150	520068992	/nfs/dbraw/zinc/06/89/92/520068992.db2.gz	NDCSXPCHZJCXPT-UHFFFAOYSA-N	-2	1	285.727	2.371	10	0		CEAEML
CC(C)CN(CC(=O)[O-])C(=O)c1ccc(Cl)cc1[O-]	ZINC000062742044	519711514	/nfs/dbraw/zinc/71/15/14/519711514.db2.gz	PJIQFHLMBKLENE-UHFFFAOYSA-N	-2	1	285.727	2.228	10	0		CEAEML
O=c1cc([O-])nc(-c2nc(C(F)(F)F)cs2)[n-]1	ZINC000114134461	344279298	/nfs/dbraw/zinc/27/92/98/344279298.db2.gz	GCHBFFNUHTUQPI-UHFFFAOYSA-N	-2	1	263.200	2.030	10	0		CEAEML
O=C([O-])c1ccsc1NC(=O)c1ccccc1[O-]	ZINC000022150364	171358192	/nfs/dbraw/zinc/35/81/92/171358192.db2.gz	SPTKSABBAHNDGJ-UHFFFAOYSA-N	-2	1	263.274	2.404	10	0		CEAEML
O=C([O-])c1c[n-]n(-c2ccccc2Br)c1=O	ZINC000071632919	176237333	/nfs/dbraw/zinc/23/73/33/176237333.db2.gz	XOOYBJGMKPCWFU-UHFFFAOYSA-N	-2	1	283.081	2.039	10	0		CEAEML
CC(C)[C@H](C(=O)[O-])[C@H](O)c1ccc([O-])c(Cl)c1	ZINC000052265223	519810171	/nfs/dbraw/zinc/81/01/71/519810171.db2.gz	UDEPUKIZLNBXSD-WDEREUQCSA-N	-2	1	258.701	2.436	10	0		CEAEML
CCCc1cc(=O)[n-]c(S[C@H](C)CCC(=O)[O-])n1	ZINC000050955672	521349320	/nfs/dbraw/zinc/34/93/20/521349320.db2.gz	VGVBICKDZNBJIG-MRVPVSSYSA-N	-2	1	270.354	2.068	10	0		CEAEML
O=C([O-])CC1(C[N-]C(=O)C(F)(F)F)CCCCC1	ZINC000043413390	175037604	/nfs/dbraw/zinc/03/76/04/175037604.db2.gz	WURKCOORLURYNK-UHFFFAOYSA-N	-2	1	267.247	2.090	10	0		CEAEML
Cc1cc(C)c(C(=O)[O-])c(Sc2nc(C)cc(=O)[n-]2)n1	ZINC000037978173	301173133	/nfs/dbraw/zinc/17/31/33/301173133.db2.gz	SJZXFXFLQXDJAC-UHFFFAOYSA-N	-2	1	291.332	2.352	10	0		CEAEML
O=C([O-])[C@H]1CCC[C@H]1NC(=O)c1cc(Cl)ccc1[O-]	ZINC000085321605	179014969	/nfs/dbraw/zinc/01/49/69/179014969.db2.gz	PHMZJCDEQFWNIQ-WCBMZHEXSA-N	-2	1	283.711	2.029	10	0		CEAEML
O=C([O-])c1cccnc1[N-]S(=O)(=O)CC1CCCCC1	ZINC000110992052	186340411	/nfs/dbraw/zinc/34/04/11/186340411.db2.gz	PAMSLWYBKBTXFO-UHFFFAOYSA-N	-2	1	298.364	2.102	10	0		CEAEML
CCCN(C=O)[C@H](C(=O)[O-])c1ccc([O-])c(Cl)c1	ZINC000111068783	186350440	/nfs/dbraw/zinc/35/04/40/186350440.db2.gz	BQTFXHGKWQMTHL-NSHDSACASA-N	-2	1	271.700	2.040	10	0		CEAEML
O=C([O-])c1ccc2ccc(Br)c([O-])c2n1	ZINC000034018096	304254215	/nfs/dbraw/zinc/25/42/15/304254215.db2.gz	YHLBONUSECMGEC-UHFFFAOYSA-N	-2	1	268.066	2.401	10	0		CEAEML
CCCc1cc(=O)[n-]c(S[C@@H](CC)CC(=O)[O-])n1	ZINC000062765081	521344467	/nfs/dbraw/zinc/34/44/67/521344467.db2.gz	HYHCLXSHAHONPU-VIFPVBQESA-N	-2	1	270.354	2.068	10	0		CEAEML
C[C@](NC(=O)c1cc(Cl)ccc1[O-])(C(=O)[O-])C1CC1	ZINC000037366065	173155213	/nfs/dbraw/zinc/15/52/13/173155213.db2.gz	OSEOFISDZWRCHM-CYBMUJFWSA-N	-2	1	283.711	2.029	10	0		CEAEML
CCN(C(=O)c1ccc(Cl)cc1[O-])[C@H](C)CC(=O)[O-]	ZINC000061178411	520085376	/nfs/dbraw/zinc/08/53/76/520085376.db2.gz	XZOCQWDMPSXKSE-MRVPVSSYSA-N	-2	1	285.727	2.371	10	0		CEAEML
Cc1ccc(NC(=O)c2cncc([O-])c2)cc1C(=O)[O-]	ZINC000111684755	186442151	/nfs/dbraw/zinc/44/21/51/186442151.db2.gz	YPSLVIUANVUQSP-UHFFFAOYSA-N	-2	1	272.260	2.046	10	0		CEAEML
CCCc1cc(=O)[n-]c(S[C@H]2CCCC[C@@H]2C(=O)[O-])n1	ZINC000062765090	521345556	/nfs/dbraw/zinc/34/55/56/521345556.db2.gz	XLWNNVJJZPEMQU-QWRGUYRKSA-N	-2	1	296.392	2.458	10	0		CEAEML
Cc1ccc(C(=O)[O-])c(Sc2nc(C)cc(=O)[n-]2)n1	ZINC000054553971	526234602	/nfs/dbraw/zinc/23/46/02/526234602.db2.gz	FALAMOJTTSKMPC-UHFFFAOYSA-N	-2	1	277.305	2.043	10	0		CEAEML
Cc1nc(-c2ccccc2Cl)[n-]c(=O)c1CCC(=O)[O-]	ZINC000050438880	526605619	/nfs/dbraw/zinc/60/56/19/526605619.db2.gz	CZPJDVQYMJIJDQ-UHFFFAOYSA-N	-2	1	292.722	2.416	10	0		CEAEML
O=C([O-])c1sccc1CSc1nccc(=O)[n-]1	ZINC000110953160	186336319	/nfs/dbraw/zinc/33/63/19/186336319.db2.gz	CTGGTBPOHKTMMY-UHFFFAOYSA-N	-2	1	268.319	2.234	10	0		CEAEML
CCCc1cc(=O)[n-]c(S[C@H]2CCC[C@@H]2C(=O)[O-])n1	ZINC000062765086	521346527	/nfs/dbraw/zinc/34/65/27/521346527.db2.gz	VZMDIPYXYFYKFR-UWVGGRQHSA-N	-2	1	282.365	2.068	10	0		CEAEML
Cc1cc(=O)[n-]c(S[C@@H](CC(=O)[O-])c2ccccc2)n1	ZINC000062765334	526122219	/nfs/dbraw/zinc/12/22/19/526122219.db2.gz	WRSFWDSHYUAGJE-NSHDSACASA-N	-2	1	290.344	2.386	10	0		CEAEML
Cc1nc(-c2ccccc2Cl)[n-]c(=O)c1C(=O)[O-]	ZINC000019517948	170823834	/nfs/dbraw/zinc/82/38/34/170823834.db2.gz	YMPQQEWYPHDSPY-UHFFFAOYSA-N	-2	1	264.668	2.097	10	0		CEAEML
CC[C@H]1CC[C@@H](C(=O)[O-])[C@H](Sc2nc(C)cc(=O)[n-]2)C1	ZINC000062765359	523180002	/nfs/dbraw/zinc/18/00/02/523180002.db2.gz	LOYCEBPAHDDXNB-HBNTYKKESA-N	-2	1	296.392	2.450	10	0		CEAEML
CC[C@@H]1CC[C@@H](C(=O)[O-])[C@H](Sc2nccc(=O)[n-]2)C1	ZINC000062765733	523348245	/nfs/dbraw/zinc/34/82/45/523348245.db2.gz	RWYPZWSIMSHWFT-OPRDCNLKSA-N	-2	1	282.365	2.142	10	0		CEAEML
C[C@]1(C(=O)[O-])CCCN(C(=O)c2cc(Cl)ccc2[O-])C1	ZINC000062868418	525225920	/nfs/dbraw/zinc/22/59/20/525225920.db2.gz	MCNIEEQVTRUSRN-AWEZNQCLSA-N	-2	1	297.738	2.373	10	0		CEAEML
Cc1cc(=O)[n-]c(S[C@@H](C)c2ccc(C(=O)[O-])o2)n1	ZINC000091779049	180251964	/nfs/dbraw/zinc/25/19/64/180251964.db2.gz	AYIJBKNISUOUOE-ZETCQYMHSA-N	-2	1	280.305	2.223	10	0		CEAEML
COc1ccc(-c2nc([O-])c(C)c(=O)[n-]2)c(Cl)c1OC	ZINC000110828035	186327318	/nfs/dbraw/zinc/32/73/18/186327318.db2.gz	VUVKNNZOCOJSET-UHFFFAOYSA-N	-2	1	296.710	2.122	10	0		CEAEML
CCN(C[C@@H](C)C(=O)[O-])C(=O)c1cc(Cl)ccc1[O-]	ZINC000061215232	521196763	/nfs/dbraw/zinc/19/67/63/521196763.db2.gz	JUJBFDIRXINAPN-MRVPVSSYSA-N	-2	1	285.727	2.228	10	0		CEAEML
Cc1cc(=O)[n-]c(SCc2cc(C(=O)[O-])ccc2F)n1	ZINC000062765333	526119136	/nfs/dbraw/zinc/11/91/36/526119136.db2.gz	RHYBPJAYILIPNI-UHFFFAOYSA-N	-2	1	294.307	2.208	10	0		CEAEML
O=C([O-])[C@H]1CCC[C@@H]1NC(=O)c1cc(Cl)ccc1[O-]	ZINC000085321606	179014890	/nfs/dbraw/zinc/01/48/90/179014890.db2.gz	PHMZJCDEQFWNIQ-WPRPVWTQSA-N	-2	1	283.711	2.029	10	0		CEAEML
O=C([O-])c1ccc2oc3cc([O-])ccc3c(=O)c2c1	ZINC000014513440	361458173	/nfs/dbraw/zinc/45/81/73/361458173.db2.gz	SWZUHGBAZOYCLX-UHFFFAOYSA-N	-2	1	256.213	2.350	10	0		CEAEML
O=C([O-])c1ccc(NC(=O)c2ccccc2[O-])s1	ZINC000035426651	172193938	/nfs/dbraw/zinc/19/39/38/172193938.db2.gz	CIYUCVGKIXCOQS-UHFFFAOYSA-N	-2	1	263.274	2.404	10	0		CEAEML
O=C([O-])c1c[n-]n(-c2cccc(Br)c2)c1=O	ZINC000071632921	176237297	/nfs/dbraw/zinc/23/72/97/176237297.db2.gz	XDQWTVVJCGYSPE-UHFFFAOYSA-N	-2	1	283.081	2.039	10	0		CEAEML
Cc1nc(-c2cc3ccccc3o2)[n-]c(=O)c1CC(=O)[O-]	ZINC000062798015	526563425	/nfs/dbraw/zinc/56/34/25/526563425.db2.gz	IMEDVEDAVVGUAJ-UHFFFAOYSA-N	-2	1	284.271	2.119	10	0		CEAEML
CC(=O)N(C(C)C)[C@@H](C(=O)[O-])c1ccc([O-])c(Cl)c1	ZINC000111065146	186350241	/nfs/dbraw/zinc/35/02/41/186350241.db2.gz	XPLIJFPAWFNPSD-GFCCVEGCSA-N	-2	1	285.727	2.428	10	0		CEAEML
Cc1cc(=O)[n-]c(S[C@@H]2C[C@@H](C)CC[C@@H]2C(=O)[O-])n1	ZINC000062765354	526121747	/nfs/dbraw/zinc/12/17/47/526121747.db2.gz	XFKPBLYLAGMAPQ-UJNFCWOMSA-N	-2	1	282.365	2.060	10	0		CEAEML
Cc1cc(=O)[n-]c(S[C@H](C)c2ccc(C(=O)[O-])o2)n1	ZINC000091779052	180251979	/nfs/dbraw/zinc/25/19/79/180251979.db2.gz	AYIJBKNISUOUOE-SSDOTTSWSA-N	-2	1	280.305	2.223	10	0		CEAEML
CCCN(C(C)=O)[C@@H](C(=O)[O-])c1ccc([O-])c(Cl)c1	ZINC000111062138	186349151	/nfs/dbraw/zinc/34/91/51/186349151.db2.gz	QHKUMKFHROYQNG-GFCCVEGCSA-N	-2	1	285.727	2.430	10	0		CEAEML
O=C([O-])[C@@H]1CCC[C@H]1CNC(=O)c1ccc(Cl)cc1[O-]	ZINC000089403947	179782617	/nfs/dbraw/zinc/78/26/17/179782617.db2.gz	DTKSJDNVUQSJNQ-WCBMZHEXSA-N	-2	1	297.738	2.276	10	0		CEAEML
O=C([O-])c1ccc(-n2[n-]c3c(c2=O)CCCC3)cc1	ZINC000104931119	186033506	/nfs/dbraw/zinc/03/35/06/186033506.db2.gz	BYLZGHMCNFRSDL-LLVKDONJSA-N	-2	1	258.277	2.278	10	0		CEAEML
CCCN(C(C)=O)[C@H](C(=O)[O-])c1ccc([O-])c(Cl)c1	ZINC000111062136	186348835	/nfs/dbraw/zinc/34/88/35/186348835.db2.gz	QHKUMKFHROYQNG-LBPRGKRZSA-N	-2	1	285.727	2.430	10	0		CEAEML
O=C([O-])[C@@H]1CCC[C@H]1NC(=O)c1cc(Cl)ccc1[O-]	ZINC000085321607	179014796	/nfs/dbraw/zinc/01/47/96/179014796.db2.gz	PHMZJCDEQFWNIQ-PSASIEDQSA-N	-2	1	283.711	2.029	10	0		CEAEML
CCN(C(C)=O)[C@@H](C(=O)[O-])c1ccc([O-])c(Cl)c1	ZINC000111064079	186349874	/nfs/dbraw/zinc/34/98/74/186349874.db2.gz	ARCPECWLVXJNAD-LLVKDONJSA-N	-2	1	271.700	2.040	10	0		CEAEML
COc1cc(C=O)cc(CSCCCC(=O)[O-])c1[O-]	ZINC000218900340	400309367	/nfs/dbraw/zinc/30/93/67/400309367.db2.gz	RWEMBRXCDYJSGZ-UHFFFAOYSA-N	-2	1	284.333	2.311	10	0		CEAEML
CC[C@H](NC(=O)c1ccc2ccccc2c1[O-])C(=O)[O-]	ZINC000035409749	172180738	/nfs/dbraw/zinc/18/07/38/172180738.db2.gz	OYVJHSQEUVOCDD-LBPRGKRZSA-N	-2	1	273.288	2.138	10	0		CEAEML
O=C([O-])[C@@H]1CCC[C@@H](NC(=O)c2ccc(Cl)cc2[O-])C1	ZINC000070554154	175983147	/nfs/dbraw/zinc/98/31/47/175983147.db2.gz	UUOJHEJGEYYQLN-PSASIEDQSA-N	-2	1	297.738	2.419	10	0		CEAEML
O=C([O-])c1cccc([N-]S(=O)(=O)CC2CCCCC2)n1	ZINC000110935372	186334871	/nfs/dbraw/zinc/33/48/71/186334871.db2.gz	JGQHPVMXJRFUNJ-UHFFFAOYSA-N	-2	1	298.364	2.102	10	0		CEAEML
CCCC[C@H](NC(=O)c1ccc(Cl)cc1[O-])C(=O)[O-]	ZINC000035410487	172181901	/nfs/dbraw/zinc/18/19/01/172181901.db2.gz	NHNFIJGJYVIICU-JTQLQIEISA-N	-2	1	285.727	2.419	10	0		CEAEML
CCN(C[C@H](C)C(=O)[O-])C(=O)c1cc(Cl)ccc1[O-]	ZINC000061215233	521244257	/nfs/dbraw/zinc/24/42/57/521244257.db2.gz	JUJBFDIRXINAPN-QMMMGPOBSA-N	-2	1	285.727	2.228	10	0		CEAEML
CCN(C(C)=O)[C@H](C(=O)[O-])c1ccc([O-])c(Cl)c1	ZINC000111064076	186349893	/nfs/dbraw/zinc/34/98/93/186349893.db2.gz	ARCPECWLVXJNAD-NSHDSACASA-N	-2	1	271.700	2.040	10	0		CEAEML
O=C([O-])c1cc(Br)cc2c1=C([O-])CN=2	ZINC000014985762	304221143	/nfs/dbraw/zinc/22/11/43/304221143.db2.gz	ZTRXQIUJUBGNOD-UHFFFAOYSA-N	-2	1	256.055	2.334	10	0		CEAEML
COc1ccc(C(=O)[O-])c(NC(=O)c2ccccc2[O-])c1	ZINC000006018018	170168489	/nfs/dbraw/zinc/16/84/89/170168489.db2.gz	CMFFISYKULRPFB-UHFFFAOYSA-N	-2	1	287.271	2.351	10	0		CEAEML
O=c1cc([O-])nc(-c2ccc(Cl)cc2Cl)[n-]1	ZINC000082480534	178050116	/nfs/dbraw/zinc/05/01/16/178050116.db2.gz	QFBFPTUOQYMOKW-UHFFFAOYSA-N	-2	1	257.076	2.449	10	0		CEAEML
Cc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(O)cc1[O-]	ZINC000022173937	171369133	/nfs/dbraw/zinc/36/91/33/171369133.db2.gz	TUZRSQSUEDYXNW-UHFFFAOYSA-N	-2	1	287.271	2.357	10	0		CEAEML
CC(C)[C@H](C(=O)[O-])[C@@H](O)c1ccc([O-])c(Cl)c1	ZINC000052265228	519810131	/nfs/dbraw/zinc/81/01/31/519810131.db2.gz	UDEPUKIZLNBXSD-QWRGUYRKSA-N	-2	1	258.701	2.436	10	0		CEAEML
CCN(C(=O)c1ccc(Cl)cc1[O-])C(C)(C)C(=O)[O-]	ZINC000061149109	520084606	/nfs/dbraw/zinc/08/46/06/520084606.db2.gz	SBUDQJRRWOJZAR-UHFFFAOYSA-N	-2	1	285.727	2.371	10	0		CEAEML
CCN(C[C@H](C)C(=O)[O-])C(=O)c1ccc(Cl)cc1[O-]	ZINC000061215155	521244806	/nfs/dbraw/zinc/24/48/06/521244806.db2.gz	VUVNTTXYNUWBSH-QMMMGPOBSA-N	-2	1	285.727	2.228	10	0		CEAEML
CCCc1cc(=O)[n-]c(S[C@@H]2CCC[C@H]2C(=O)[O-])n1	ZINC000062765087	521344449	/nfs/dbraw/zinc/34/44/49/521344449.db2.gz	VZMDIPYXYFYKFR-NXEZZACHSA-N	-2	1	282.365	2.068	10	0		CEAEML
O=C([O-])c1cc2c(Nc3ccc4n[nH]cc4c3)nc[nH]c-2n1	ZINC000584648020	344972911	/nfs/dbraw/zinc/97/29/11/344972911.db2.gz	UPNSVMKTIWWAJR-UHFFFAOYSA-N	-2	1	294.274	2.276	10	0		CEAEML
CCN(C(=O)c1cc(Cl)ccc1[O-])[C@H](C)CC(=O)[O-]	ZINC000061178584	520068734	/nfs/dbraw/zinc/06/87/34/520068734.db2.gz	SSWICHUIEUWKBV-MRVPVSSYSA-N	-2	1	285.727	2.371	10	0		CEAEML
CCCc1cc(=O)[n-]c(S[C@@H](C)CCC(=O)[O-])n1	ZINC000050955670	521348927	/nfs/dbraw/zinc/34/89/27/521348927.db2.gz	VGVBICKDZNBJIG-QMMMGPOBSA-N	-2	1	270.354	2.068	10	0		CEAEML
Cc1cc(C(=O)[O-])ccc1Sc1nccc(=O)[n-]1	ZINC000054554056	524194643	/nfs/dbraw/zinc/19/46/43/524194643.db2.gz	MVWBHOWOGZIGGM-UHFFFAOYSA-N	-2	1	262.290	2.340	10	0		CEAEML
Cc1cc(=O)[n-]c(S[C@@H]2C[C@H](C)CC[C@@H]2C(=O)[O-])n1	ZINC000062765352	526122240	/nfs/dbraw/zinc/12/22/40/526122240.db2.gz	XFKPBLYLAGMAPQ-FKTZTGRPSA-N	-2	1	282.365	2.060	10	0		CEAEML
O=C([O-])Cc1ccc(NC(=O)c2ccccc2[O-])cc1	ZINC000011639198	361361271	/nfs/dbraw/zinc/36/12/71/361361271.db2.gz	ILYRIYLUHFDIJM-UHFFFAOYSA-N	-2	1	271.272	2.272	10	0		CEAEML
O=C([O-])c1cccc(NC(=O)c2ccc(O)cc2[O-])c1	ZINC000022220447	171377992	/nfs/dbraw/zinc/37/79/92/171377992.db2.gz	LWKAFJODHCGQLH-UHFFFAOYSA-N	-2	1	273.244	2.048	10	0		CEAEML
Cc1cccc(NC(=O)c2cncc([O-])c2)c1C(=O)[O-]	ZINC000071170864	176051401	/nfs/dbraw/zinc/05/14/01/176051401.db2.gz	AAXIEILZZQXZGB-UHFFFAOYSA-N	-2	1	272.260	2.046	10	0		CEAEML
CCC(C)(CC)[C@](CC)(C(=O)[O-])[P@](=O)([O-])O	ZINC000095080667	364335311	/nfs/dbraw/zinc/33/53/11/364335311.db2.gz	YYVVUYWMUVVPMO-JTQLQIEISA-N	-2	1	252.247	2.224	10	0		CEAEML
CN(C(=O)c1ccc(O)cc1[O-])c1ccccc1C(=O)[O-]	ZINC000022171497	171368338	/nfs/dbraw/zinc/36/83/38/171368338.db2.gz	TZKCFCLZUNLXKY-UHFFFAOYSA-N	-2	1	287.271	2.073	10	0		CEAEML
O=C([O-])c1c[n-]n(-c2ccc(Br)cc2)c1=O	ZINC000071632917	176237558	/nfs/dbraw/zinc/23/75/58/176237558.db2.gz	RFDYGWNJQBROHN-UHFFFAOYSA-N	-2	1	283.081	2.039	10	0		CEAEML
Cc1cc(C)c(C(=O)[O-])c(Sc2nccc(=O)[n-]2)n1	ZINC000037978123	301173065	/nfs/dbraw/zinc/17/30/65/301173065.db2.gz	XAELFLLAYKHTLN-UHFFFAOYSA-N	-2	1	277.305	2.043	10	0		CEAEML
O=C([O-])c1ccc(Sc2nccc(=O)[n-]2)c(F)c1	ZINC000054554055	526384351	/nfs/dbraw/zinc/38/43/51/526384351.db2.gz	RVBQAVDEIMEZIC-UHFFFAOYSA-N	-2	1	266.253	2.171	10	0		CEAEML
O=S(=O)([N-]c1cc(Cl)ccc1[O-])C(F)F	ZINC000034939304	361798656	/nfs/dbraw/zinc/79/86/56/361798656.db2.gz	IUVZZLAJFCIQSG-UHFFFAOYSA-N	-2	1	257.645	2.010	10	0		CEAEML
O=C([O-])Cc1cc(Br)c([O-])c2ncccc12	ZINC000057347187	304088216	/nfs/dbraw/zinc/08/82/16/304088216.db2.gz	LGRMIUCMCOMGDA-UHFFFAOYSA-N	-2	1	282.093	2.330	10	0		CEAEML
O=C([O-])Cc1cc(Cl)cc(Br)c1[O-]	ZINC000024863693	542227405	/nfs/dbraw/zinc/22/74/05/542227405.db2.gz	JFSOJWGGEFBZHC-UHFFFAOYSA-N	-2	1	265.490	2.435	10	0		CEAEML
CC[C@](C)(NC(=O)c1ccc(Cl)cc1[O-])C(=O)[O-]	ZINC000094219738	184764617	/nfs/dbraw/zinc/76/46/17/184764617.db2.gz	GLTYHHKGXRECHG-LBPRGKRZSA-N	-2	1	271.700	2.029	10	0		CEAEML
CCN(C[C@@H](C)C(=O)[O-])C(=O)c1ccc(Cl)cc1[O-]	ZINC000061215154	521197342	/nfs/dbraw/zinc/19/73/42/521197342.db2.gz	VUVNTTXYNUWBSH-MRVPVSSYSA-N	-2	1	285.727	2.228	10	0		CEAEML
Cc1ccc(C(=O)[O-])c(Sc2nccc(=O)[n-]2)c1	ZINC000054554060	526234331	/nfs/dbraw/zinc/23/43/31/526234331.db2.gz	XLBRPFPTHHNAGP-UHFFFAOYSA-N	-2	1	262.290	2.340	10	0		CEAEML
O=S(=O)([N-]c1ccc(Cl)c([O-])c1)C(F)F	ZINC000082879614	178328697	/nfs/dbraw/zinc/32/86/97/178328697.db2.gz	RJNRWGWJTRSDIM-UHFFFAOYSA-N	-2	1	257.645	2.010	10	0		CEAEML
Cc1cc(=O)[n-]c(Sc2ccc(F)cc2C(=O)[O-])n1	ZINC000111029414	186346056	/nfs/dbraw/zinc/34/60/56/186346056.db2.gz	WBQBBZUXAAZKAI-UHFFFAOYSA-N	-2	1	280.280	2.067	10	0		CEAEML
O=C([O-])c1cnc(-c2ccc(Cl)s2)[n-]c1=O	ZINC000259443459	540354856	/nfs/dbraw/zinc/35/48/56/540354856.db2.gz	VKMSDXGDRAKMTP-UHFFFAOYSA-N	-2	1	256.670	2.262	10	0		CEAEML
Cc1cc(=O)[n-]c(SCc2ccc(C(=O)[O-])s2)n1	ZINC000020395409	171181201	/nfs/dbraw/zinc/18/12/01/171181201.db2.gz	WXQLRXXLWUJWFE-UHFFFAOYSA-N	-2	1	282.346	2.130	10	0		CEAEML
C[C@H](CCC(=O)[O-])Nc1ccc(-c2cc(=O)[nH][n-]2)cc1	ZINC000080165119	177617876	/nfs/dbraw/zinc/61/78/76/177617876.db2.gz	IWFCTINOMGHWPF-SECBINFHSA-N	-2	1	275.308	2.448	10	0		CEAEML
O=C([O-])C1CCC(CNC(=O)c2cc(F)ccc2[O-])CC1	ZINC000097031402	185155089	/nfs/dbraw/zinc/15/50/89/185155089.db2.gz	LFZHSZIZCUJGEV-UHFFFAOYSA-N	-2	1	295.310	2.152	10	0		CEAEML
O=C([O-])[C@@H]1CC[C@@H](NC(=O)c2ccc(Cl)cc2[O-])C1	ZINC000097058526	185518933	/nfs/dbraw/zinc/51/89/33/185518933.db2.gz	DSSCEAVZMYFZSC-VXNVDRBHSA-N	-2	1	283.711	2.029	10	0		CEAEML
Cc1cc(=O)[n-]c(SCc2ccc(F)cc2C(=O)[O-])n1	ZINC000071265529	176098536	/nfs/dbraw/zinc/09/85/36/176098536.db2.gz	UGBNOIHHQGFGSP-UHFFFAOYSA-N	-2	1	294.307	2.208	10	0		CEAEML
CC[C@@H]1CC[C@H](C(=O)[O-])[C@H](Sc2nccc(=O)[n-]2)C1	ZINC000062765731	523362421	/nfs/dbraw/zinc/36/24/21/523362421.db2.gz	RWYPZWSIMSHWFT-KXUCPTDWSA-N	-2	1	282.365	2.142	10	0		CEAEML
O=C([O-])C[C@H](Sc1nccc(=O)[n-]1)c1ccccc1	ZINC000062765707	527634537	/nfs/dbraw/zinc/63/45/37/527634537.db2.gz	WNXLSILPCSWMRB-JTQLQIEISA-N	-2	1	276.317	2.078	10	0		CEAEML
O=C([O-])[C@@H]1CCC[C@H]1NC(=O)c1ccc(Cl)cc1[O-]	ZINC000085321243	179014725	/nfs/dbraw/zinc/01/47/25/179014725.db2.gz	NADABRNKJGZHAR-PSASIEDQSA-N	-2	1	283.711	2.029	10	0		CEAEML
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)c1cc(Cl)ccc1[O-]	ZINC000085321608	179014808	/nfs/dbraw/zinc/01/48/08/179014808.db2.gz	PHMZJCDEQFWNIQ-SCZZXKLOSA-N	-2	1	283.711	2.029	10	0		CEAEML
O=c1cc([O-])nc(-c2c(Cl)cccc2Cl)[n-]1	ZINC000082473672	178045279	/nfs/dbraw/zinc/04/52/79/178045279.db2.gz	LJAYKOGYLZMEGI-UHFFFAOYSA-N	-2	1	257.076	2.449	10	0		CEAEML
CC(C)(C)N(CC(=O)[O-])C(=O)c1cc(Cl)ccc1[O-]	ZINC000092448004	180387112	/nfs/dbraw/zinc/38/71/12/180387112.db2.gz	CHPOPCGLAAEKDT-UHFFFAOYSA-N	-2	1	285.727	2.371	10	0		CEAEML
CC(C)C[C@@H](NC(=O)c1cc(Cl)ccc1[O-])C(=O)[O-]	ZINC000019807159	170876174	/nfs/dbraw/zinc/87/61/74/170876174.db2.gz	VWNLXXVVKSTOMS-SNVBAGLBSA-N	-2	1	285.727	2.275	10	0		CEAEML
CC(C)[C@@H](C(=O)[O-])[C@@H](O)c1ccc([O-])c(Cl)c1	ZINC000052265231	519789675	/nfs/dbraw/zinc/78/96/75/519789675.db2.gz	UDEPUKIZLNBXSD-MNOVXSKESA-N	-2	1	258.701	2.436	10	0		CEAEML
CCCOc1cccc(-c2nc(C)c(C(=O)[O-])c(=O)[n-]2)c1	ZINC000061667821	520438585	/nfs/dbraw/zinc/43/85/85/520438585.db2.gz	RRJZHGZDLOGBEY-UHFFFAOYSA-N	-2	1	288.303	2.232	10	0		CEAEML
CCCc1cc(=O)[n-]c(S[C@H]2CCCC[C@H]2C(=O)[O-])n1	ZINC000062765092	521346230	/nfs/dbraw/zinc/34/62/30/521346230.db2.gz	XLWNNVJJZPEMQU-MNOVXSKESA-N	-2	1	296.392	2.458	10	0		CEAEML
CC(C)c1c([O-])nc2c(Br)c[n-]n2c1=O	ZINC000071474539	539162785	/nfs/dbraw/zinc/16/27/85/539162785.db2.gz	RNLSUIPPJGTFBJ-UHFFFAOYSA-N	-2	1	272.102	2.026	10	0		CEAEML
O=C([O-])c1ccc(Cl)nc1Sc1nccc(=O)[n-]1	ZINC000109600066	186267034	/nfs/dbraw/zinc/26/70/34/186267034.db2.gz	VPGFJTCJFMXCKL-UHFFFAOYSA-N	-2	1	283.696	2.080	10	0		CEAEML
Cc1c([O-])nc(-c2ccc(F)cc2Cl)[n-]c1=O	ZINC000110619415	186305568	/nfs/dbraw/zinc/30/55/68/186305568.db2.gz	HUKCVYQTIKSZPX-UHFFFAOYSA-N	-2	1	254.648	2.243	10	0		CEAEML
Cc1cc(=O)[n-]c(SCc2ccccc2C(=O)[O-])n1	ZINC000020394883	171181007	/nfs/dbraw/zinc/18/10/07/171181007.db2.gz	QHAPWTVFLYAUGQ-UHFFFAOYSA-N	-2	1	276.317	2.069	10	0		CEAEML
C[C@@](NC(=O)c1cc(Cl)ccc1[O-])(C(=O)[O-])C1CC1	ZINC000037366067	173155257	/nfs/dbraw/zinc/15/52/57/173155257.db2.gz	OSEOFISDZWRCHM-ZDUSSCGKSA-N	-2	1	283.711	2.029	10	0		CEAEML
CCc1c([O-])nc(-c2ccc(Br)o2)[n-]c1=O	ZINC000082473881	178044568	/nfs/dbraw/zinc/04/45/68/178044568.db2.gz	DOXUOSCSUDBIAQ-UHFFFAOYSA-N	-2	1	285.097	2.060	10	0		CEAEML
CC[C@H](C)Oc1ccccc1-c1ncc(C(=O)[O-])c(=O)[n-]1	ZINC000039243776	343436012	/nfs/dbraw/zinc/43/60/12/343436012.db2.gz	NQVBXZFIKXHLLS-VIFPVBQESA-N	-2	1	288.303	2.312	10	0		CEAEML
O=C([O-])[C@H]1CCC[C@H]1NC(=O)c1ccc(Cl)cc1[O-]	ZINC000085321241	179014931	/nfs/dbraw/zinc/01/49/31/179014931.db2.gz	NADABRNKJGZHAR-WCBMZHEXSA-N	-2	1	283.711	2.029	10	0		CEAEML
CC[C@@H](C[P@](=O)([O-])O)C(CC)(CC)C(=O)[O-]	ZINC000095080668	364334771	/nfs/dbraw/zinc/33/47/71/364334771.db2.gz	COVHLYDHQCNYNK-QMMMGPOBSA-N	-2	1	252.247	2.081	10	0		CEAEML
O=C([O-])c1ccc(CSc2nccc(=O)[n-]2)s1	ZINC000020395406	171180675	/nfs/dbraw/zinc/18/06/75/171180675.db2.gz	FQUGOWAWZGDXQF-UHFFFAOYSA-N	-2	1	268.319	2.234	10	0		CEAEML
CCCC[C@@H](NC(=O)c1ccc(Cl)cc1[O-])C(=O)[O-]	ZINC000035410488	172181711	/nfs/dbraw/zinc/18/17/11/172181711.db2.gz	NHNFIJGJYVIICU-SNVBAGLBSA-N	-2	1	285.727	2.419	10	0		CEAEML
O=C([O-])C[C@@H](NCc1ccc(C(=O)[O-])o1)c1cccs1	ZINC000071381177	176145006	/nfs/dbraw/zinc/14/50/06/176145006.db2.gz	OPIOSIYFUQJVLC-SECBINFHSA-N	-2	1	295.316	2.345	10	0		CEAEML
Cc1cc(Br)ccc1-n1[n-]cc(C(=O)[O-])c1=O	ZINC000071651721	176241637	/nfs/dbraw/zinc/24/16/37/176241637.db2.gz	MRRXUJCPQZXPOV-UHFFFAOYSA-N	-2	1	297.108	2.347	10	0		CEAEML
Cc1nc([N-]c2ncc(C(=O)[O-])c(C)n2)sc1C	ZINC000072416047	363133042	/nfs/dbraw/zinc/13/30/42/363133042.db2.gz	QBNFDGAOMFNAEP-UHFFFAOYSA-N	-2	1	264.310	2.300	10	0		CEAEML
Cc1cc(=O)[n-]c(SC[C@H](C(=O)[O-])c2ccccc2)n1	ZINC000062765338	526120255	/nfs/dbraw/zinc/12/02/55/526120255.db2.gz	HNUHTYKYSSCCNE-NSHDSACASA-N	-2	1	290.344	2.039	10	0		CEAEML
Cc1cc(=O)[n-]c(S[C@@H]2CCCCC[C@@H]2C(=O)[O-])n1	ZINC000062765348	526122788	/nfs/dbraw/zinc/12/27/88/526122788.db2.gz	HJOUEPGFDOGVEK-VHSXEESVSA-N	-2	1	282.365	2.204	10	0		CEAEML
O=C([O-])CN(CCC12CC3CC(CC(C3)C1)C2)CC(=O)[O-]	ZINC000110971462	186338385	/nfs/dbraw/zinc/33/83/85/186338385.db2.gz	IIBWAVKDJFKRKS-UHFFFAOYSA-N	-2	1	295.379	2.064	10	0		CEAEML
O=C([O-])C[C@H](NCc1ccc(C(=O)[O-])o1)c1cccs1	ZINC000071381179	176145073	/nfs/dbraw/zinc/14/50/73/176145073.db2.gz	OPIOSIYFUQJVLC-VIFPVBQESA-N	-2	1	295.316	2.345	10	0		CEAEML
O=C([O-])c1cccc2nc(-c3ccccc3)[n-]c(=O)c21	ZINC000064873847	362797184	/nfs/dbraw/zinc/79/71/84/362797184.db2.gz	PGQVHDUVZMFTNE-UHFFFAOYSA-N	-2	1	266.256	2.288	10	0		CEAEML
CC[C@H](C[P@](=O)([O-])O)C(CC)(CC)C(=O)[O-]	ZINC000095080669	364335151	/nfs/dbraw/zinc/33/51/51/364335151.db2.gz	COVHLYDHQCNYNK-MRVPVSSYSA-N	-2	1	252.247	2.081	10	0		CEAEML
CCN(CC(=O)[O-])C(=O)c1ccc2ccccc2c1[O-]	ZINC000038015156	284408569	/nfs/dbraw/zinc/40/85/69/284408569.db2.gz	FZDMWPCRIOHJFP-UHFFFAOYSA-N	-2	1	273.288	2.092	10	0		CEAEML
CCCCOc1ccccc1-c1ncc(C(=O)[O-])c(=O)[n-]1	ZINC000039243774	343435920	/nfs/dbraw/zinc/43/59/20/343435920.db2.gz	FRBBHRIEGGPXPK-UHFFFAOYSA-N	-2	1	288.303	2.314	10	0		CEAEML
O=C([O-])COc1ccc(C(=O)c2ccc([O-])cc2)cc1	ZINC000071766152	343801486	/nfs/dbraw/zinc/80/14/86/343801486.db2.gz	YARFHMOUIXBKDZ-UHFFFAOYSA-N	-2	1	272.256	2.087	10	0		CEAEML
CCC(CCCCCCCC(=O)[O-])(C(=O)[O-])C(=O)O	ZINC000584616017	344965807	/nfs/dbraw/zinc/96/58/07/344965807.db2.gz	QJDUUIUZWGPILQ-UHFFFAOYSA-N	-2	1	274.313	2.367	10	0		CEAEML
CCSc1ccccc1-c1ncc(C(=O)[O-])c(=O)[n-]1	ZINC000169334198	367368512	/nfs/dbraw/zinc/36/85/12/367368512.db2.gz	HLNAWUZGEIUSEM-UHFFFAOYSA-N	-2	1	276.317	2.247	10	0		CEAEML
O=C([O-])c1c[n-]n(-c2cccc(C(F)(F)F)c2)c1=O	ZINC000071611508	176231935	/nfs/dbraw/zinc/23/19/35/176231935.db2.gz	PAADDOBZOTYFPD-UHFFFAOYSA-N	-2	1	272.182	2.295	10	0		CEAEML
Cc1ccc(Sc2nccc(=O)[n-]2)c(C(=O)[O-])c1	ZINC000052998342	525673273	/nfs/dbraw/zinc/67/32/73/525673273.db2.gz	CNTXXIAHVDWJRI-UHFFFAOYSA-N	-2	1	262.290	2.340	10	0		CEAEML
O=c1oc2cc([O-])ccc2c([O-])c1-c1ccc(O)cc1O	ZINC000013340130	560214632	/nfs/dbraw/zinc/21/46/32/560214632.db2.gz	OZOZCKVLUMXFGS-UHFFFAOYSA-N	-2	1	286.239	2.282	10	0	in-vitro	CEAEML
CC(C)COc1ccccc1-c1ncc(C(=O)[O-])c(=O)[n-]1	ZINC000033852359	361785559	/nfs/dbraw/zinc/78/55/59/361785559.db2.gz	YDTMUZAZQWCJGY-UHFFFAOYSA-N	-2	1	288.303	2.170	10	0		CEAEML
CCC(C)(CC)[C@@](CC)(C(=O)[O-])[P@](=O)([O-])O	ZINC000095080666	364335196	/nfs/dbraw/zinc/33/51/96/364335196.db2.gz	YYVVUYWMUVVPMO-SNVBAGLBSA-N	-2	1	252.247	2.224	10	0		CEAEML
O=C([O-])c1ccccc1NC(=O)c1ccccc1[O-]	ZINC000006567831	170214219	/nfs/dbraw/zinc/21/42/19/170214219.db2.gz	CDKACLITEIDAIS-UHFFFAOYSA-N	-2	1	257.245	2.343	10	0		CEAEML
O=C([O-])c1ccc([N-]S(=O)(=O)Cc2ccccc2)s1	ZINC000035426791	172194396	/nfs/dbraw/zinc/19/43/96/172194396.db2.gz	OUZITPZVWUKQMI-UHFFFAOYSA-N	-2	1	297.357	2.388	10	0		CEAEML
Cc1cc(=O)[n-]c(SC[C@@H](C(=O)[O-])c2ccccc2)n1	ZINC000062765339	526120536	/nfs/dbraw/zinc/12/05/36/526120536.db2.gz	HNUHTYKYSSCCNE-LLVKDONJSA-N	-2	1	290.344	2.039	10	0		CEAEML
Cc1cc(=O)[n-]c(S[C@H]2CCCCC[C@@H]2C(=O)[O-])n1	ZINC000062765349	526122205	/nfs/dbraw/zinc/12/22/05/526122205.db2.gz	HJOUEPGFDOGVEK-UWVGGRQHSA-N	-2	1	282.365	2.204	10	0		CEAEML
CC(C)(C)N(CC(=O)[O-])C(=O)c1ccc(Cl)cc1[O-]	ZINC000092447858	180386890	/nfs/dbraw/zinc/38/68/90/180386890.db2.gz	LVZNLKOCPHSRJB-UHFFFAOYSA-N	-2	1	285.727	2.371	10	0		CEAEML
COc1ccc(C(=O)[O-])cc1NC(=O)c1ccccc1[O-]	ZINC000111309437	186394332	/nfs/dbraw/zinc/39/43/32/186394332.db2.gz	FAKSUHMAPXJYTF-UHFFFAOYSA-N	-2	1	287.271	2.351	10	0		CEAEML
Cc1cccc(NC(=O)c2ccc(O)cc2[O-])c1C(=O)[O-]	ZINC000071170792	176051444	/nfs/dbraw/zinc/05/14/44/176051444.db2.gz	QCMZLURWSUEGIG-UHFFFAOYSA-N	-2	1	287.271	2.357	10	0		CEAEML
CC(=O)N([C@@H](C(=O)[O-])c1ccc([O-])c(Cl)c1)C1CC1	ZINC000111061161	186349551	/nfs/dbraw/zinc/34/95/51/186349551.db2.gz	CUCFNQJXIZKHQK-GFCCVEGCSA-N	-2	1	283.711	2.182	10	0		CEAEML
CC[C@@H]1CC[C@@H](C(=O)[O-])[C@H](Sc2nc(C)cc(=O)[n-]2)C1	ZINC000062765358	523348434	/nfs/dbraw/zinc/34/84/34/523348434.db2.gz	LOYCEBPAHDDXNB-GMTAPVOTSA-N	-2	1	296.392	2.450	10	0		CEAEML
O=C([O-])c1nc(-c2ccc(Cl)cc2)[nH]c1C(=O)[O-]	ZINC000584623451	344967652	/nfs/dbraw/zinc/96/76/52/344967652.db2.gz	PPADXMMZEONQHH-UHFFFAOYSA-N	-2	1	266.640	2.127	10	0		CEAEML
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)c1ccc(Cl)cc1[O-]	ZINC000085321244	179014754	/nfs/dbraw/zinc/01/47/54/179014754.db2.gz	NADABRNKJGZHAR-SCZZXKLOSA-N	-2	1	283.711	2.029	10	0		CEAEML
CSc1ccccc1-c1nc(C)c(C(=O)[O-])c(=O)[n-]1	ZINC000092214021	180345567	/nfs/dbraw/zinc/34/55/67/180345567.db2.gz	JCKHODUEGKACTG-UHFFFAOYSA-N	-2	1	276.317	2.165	10	0		CEAEML
O=C([O-])c1ccc(F)cc1[N-]S(=O)(=O)c1ccccc1	ZINC000013313179	540346421	/nfs/dbraw/zinc/34/64/21/540346421.db2.gz	ZIIANRXFRZVFOM-UHFFFAOYSA-N	-2	1	295.291	2.325	10	0		CEAEML
CCCC[C@@H](NC(=O)c1cc(Cl)ccc1[O-])C(=O)[O-]	ZINC000035410478	172181889	/nfs/dbraw/zinc/18/18/89/172181889.db2.gz	MZERQXQETHVYKW-SNVBAGLBSA-N	-2	1	285.727	2.419	10	0		CEAEML
Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(O)cc1[O-]	ZINC000022220029	171377200	/nfs/dbraw/zinc/37/72/00/171377200.db2.gz	LZOBFERTONMHKF-UHFFFAOYSA-N	-2	1	287.271	2.357	10	0		CEAEML
CC[C@H]1CC[C@@H](C(=O)[O-])[C@H](Sc2nccc(=O)[n-]2)C1	ZINC000062765734	523181130	/nfs/dbraw/zinc/18/11/30/523181130.db2.gz	RWYPZWSIMSHWFT-IVZWLZJFSA-N	-2	1	282.365	2.142	10	0		CEAEML
Cc1cc(C)c([N-]S(=O)(=O)c2cc[nH]c2)c(C(=O)[O-])c1	ZINC000062825846	524306607	/nfs/dbraw/zinc/30/66/07/524306607.db2.gz	JUBWJARJNVGUEI-UHFFFAOYSA-N	-2	1	294.332	2.131	10	0		CEAEML
Cc1cc(=O)[n-]c(S[C@H]2CCCCC[C@H]2C(=O)[O-])n1	ZINC000062765351	526121527	/nfs/dbraw/zinc/12/15/27/526121527.db2.gz	HJOUEPGFDOGVEK-ZJUUUORDSA-N	-2	1	282.365	2.204	10	0		CEAEML
O=C([O-])c1cc(F)ccc1Sc1nccc(=O)[n-]1	ZINC000111029428	186346318	/nfs/dbraw/zinc/34/63/18/186346318.db2.gz	WCWPNQNWWWGYEB-UHFFFAOYSA-N	-2	1	266.253	2.171	10	0		CEAEML
O=C([O-])CC1(NC(=O)c2cc(Cl)ccc2[O-])CCC1	ZINC000094290772	184776891	/nfs/dbraw/zinc/77/68/91/184776891.db2.gz	UKEKESXVARKIQH-UHFFFAOYSA-N	-2	1	283.711	2.173	10	0		CEAEML
O=C([O-])c1ccc(NC(=O)c2ccc(O)cc2[O-])s1	ZINC000035426539	172193709	/nfs/dbraw/zinc/19/37/09/172193709.db2.gz	VMUFFZIFWGTPPY-UHFFFAOYSA-N	-2	1	279.273	2.110	10	0		CEAEML
O=C([O-])c1cc([O-])c(I)cc1Cl	ZINC000584597226	344961719	/nfs/dbraw/zinc/96/17/19/344961719.db2.gz	LYDKGTJTGNWQPC-UHFFFAOYSA-N	-2	1	298.463	2.348	10	0		CEAEML
O=C([O-])CN(Cc1ccc([O-])c(Cl)c1)CC(F)(F)F	ZINC000092444370	180385669	/nfs/dbraw/zinc/38/56/69/180385669.db2.gz	ATWASFAJUCWSLR-UHFFFAOYSA-N	-2	1	297.660	2.495	10	0		CEAEML
O=C([O-])c1c[n-]n(-c2ccc(C(F)(F)F)cc2)c1=O	ZINC000071611510	176231923	/nfs/dbraw/zinc/23/19/23/176231923.db2.gz	HXOSWOJTZJEORJ-UHFFFAOYSA-N	-2	1	272.182	2.295	10	0		CEAEML
CCCc1cc(=O)[n-]c(S[C@@H]2CCCC[C@@H]2C(=O)[O-])n1	ZINC000062765089	521343662	/nfs/dbraw/zinc/34/36/62/521343662.db2.gz	XLWNNVJJZPEMQU-WDEREUQCSA-N	-2	1	296.392	2.458	10	0		CEAEML
CC[C@@H]1CC[C@H](C(=O)[O-])[C@H](Sc2nc(C)cc(=O)[n-]2)C1	ZINC000062765356	523362941	/nfs/dbraw/zinc/36/29/41/523362941.db2.gz	LOYCEBPAHDDXNB-OUAUKWLOSA-N	-2	1	296.392	2.450	10	0		CEAEML
CCCc1cc(=O)[n-]c(SCc2occc2C(=O)[O-])n1	ZINC000035119421	361816856	/nfs/dbraw/zinc/81/68/56/361816856.db2.gz	PVYNWWSWMJQHBZ-UHFFFAOYSA-N	-2	1	294.332	2.306	10	0		CEAEML
CSc1ccc(-c2nc(C)c(C(=O)[O-])c(=O)[n-]2)cc1	ZINC000092214019	180345486	/nfs/dbraw/zinc/34/54/86/180345486.db2.gz	NUOPHRPWTJLVHP-UHFFFAOYSA-N	-2	1	276.317	2.165	10	0		CEAEML
CC(=O)N(C(C)C)[C@H](C(=O)[O-])c1ccc([O-])c(Cl)c1	ZINC000111065143	186349948	/nfs/dbraw/zinc/34/99/48/186349948.db2.gz	XPLIJFPAWFNPSD-LBPRGKRZSA-N	-2	1	285.727	2.428	10	0		CEAEML
C[C@@H](SCc1cc(=O)oc2cc([O-])ccc12)C(=O)[O-]	ZINC000037405462	173181576	/nfs/dbraw/zinc/18/15/76/173181576.db2.gz	OHQXKFCFVGZVAN-SSDOTTSWSA-N	-2	1	280.301	2.205	10	0		CEAEML
CCCc1cc(=O)[n-]c(S[C@H](CC)CC(=O)[O-])n1	ZINC000062765082	521346408	/nfs/dbraw/zinc/34/64/08/521346408.db2.gz	HYHCLXSHAHONPU-SECBINFHSA-N	-2	1	270.354	2.068	10	0		CEAEML
O=C([O-])c1ccc2[nH]c(=O)c(Br)c([O-])c2c1	ZINC000606301763	347464654	/nfs/dbraw/zinc/46/46/54/347464654.db2.gz	BBENNWFZUXRBCX-UHFFFAOYSA-N	-2	1	284.065	2.107	10	0		CEAEML
CC[C@H]1CC[C@H](C(=O)[O-])[C@H](Sc2nc(C)cc(=O)[n-]2)C1	ZINC000062765357	523200052	/nfs/dbraw/zinc/20/00/52/523200052.db2.gz	LOYCEBPAHDDXNB-GARJFASQSA-N	-2	1	296.392	2.450	10	0		CEAEML
Cc1nc(-c2cccc(OC(C)C)c2)[n-]c(=O)c1C(=O)[O-]	ZINC000061666507	526595596	/nfs/dbraw/zinc/59/55/96/526595596.db2.gz	GLCRQPWOZSOPSD-UHFFFAOYSA-N	-2	1	288.303	2.231	10	0		CEAEML
CCCC[C@H](NC(=O)c1cc(Cl)ccc1[O-])C(=O)[O-]	ZINC000035410477	172181536	/nfs/dbraw/zinc/18/15/36/172181536.db2.gz	MZERQXQETHVYKW-JTQLQIEISA-N	-2	1	285.727	2.419	10	0		CEAEML
CCCN(C=O)[C@@H](C(=O)[O-])c1ccc([O-])c(Cl)c1	ZINC000111068786	186349785	/nfs/dbraw/zinc/34/97/85/186349785.db2.gz	BQTFXHGKWQMTHL-LLVKDONJSA-N	-2	1	271.700	2.040	10	0		CEAEML
O=C([O-])C1(NC(=O)c2ccc(Cl)cc2[O-])CCCC1	ZINC000037329714	173131451	/nfs/dbraw/zinc/13/14/51/173131451.db2.gz	IAMGDAALOPPBAF-UHFFFAOYSA-N	-2	1	283.711	2.173	10	0		CEAEML
CCC[C@H](CNC(=O)c1cc(Cl)ccc1[O-])C(=O)[O-]	ZINC000087486427	179432207	/nfs/dbraw/zinc/43/22/07/179432207.db2.gz	KUUFSSTYGANRBO-MRVPVSSYSA-N	-2	1	285.727	2.276	10	0		CEAEML
Cc1cc(C(=O)[O-])c(NC(=O)c2ccc(O)cc2[O-])s1	ZINC000110774532	186322576	/nfs/dbraw/zinc/32/25/76/186322576.db2.gz	AWBTUXGLRGOELB-UHFFFAOYSA-N	-2	1	293.300	2.418	10	0		CEAEML
CCCc1cc(=O)[n-]c(S[C@H]2CCC[C@H]2C(=O)[O-])n1	ZINC000062765088	521346059	/nfs/dbraw/zinc/34/60/59/521346059.db2.gz	VZMDIPYXYFYKFR-ZJUUUORDSA-N	-2	1	282.365	2.068	10	0		CEAEML
CC[C@H]1CC[C@H](C(=O)[O-])[C@H](Sc2nccc(=O)[n-]2)C1	ZINC000062765732	523201132	/nfs/dbraw/zinc/20/11/32/523201132.db2.gz	RWYPZWSIMSHWFT-LPEHRKFASA-N	-2	1	282.365	2.142	10	0		CEAEML
Cc1cc(=O)[n-]c(S[C@H](CC(=O)[O-])c2ccccc2)n1	ZINC000062765335	526122335	/nfs/dbraw/zinc/12/23/35/526122335.db2.gz	WRSFWDSHYUAGJE-LLVKDONJSA-N	-2	1	290.344	2.386	10	0		CEAEML
CC[C@@H](C)Oc1ccccc1-c1ncc(C(=O)[O-])c(=O)[n-]1	ZINC000039243775	343436090	/nfs/dbraw/zinc/43/60/90/343436090.db2.gz	NQVBXZFIKXHLLS-SECBINFHSA-N	-2	1	288.303	2.312	10	0		CEAEML
CCCc1cc(=O)[n-]c(S[C@@H]2CCCC[C@H]2C(=O)[O-])n1	ZINC000062765091	521343359	/nfs/dbraw/zinc/34/33/59/521343359.db2.gz	XLWNNVJJZPEMQU-GHMZBOCLSA-N	-2	1	296.392	2.458	10	0		CEAEML
Cc1cc(=O)[n-]c(S[C@@H]2CCCCC[C@H]2C(=O)[O-])n1	ZINC000062765350	526122351	/nfs/dbraw/zinc/12/23/51/526122351.db2.gz	HJOUEPGFDOGVEK-NXEZZACHSA-N	-2	1	282.365	2.204	10	0		CEAEML