smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)(COP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)[O-]	ZINC000001529671	351303564	/nfs/dbraw/zinc/30/35/64/351303564.db2.gz	XHFVGHPGDLDEQO-ZETCQYMHSA-N	-3	0	299.216	-0.926	10	0	endogenous,in-man	CBAERL
Cc1noc(C[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])n1	ZINC000038034401	351412849	/nfs/dbraw/zinc/41/28/49/351412849.db2.gz	JXJPLEFJHMAPHH-UHFFFAOYSA-N	-2	0	287.257	-0.722	10	0		CBAERL
C[C@@H]1CN(C(=O)N[C@H](CC(=O)[O-])C(=O)[O-])C[C@H](C)O1	ZINC000157881157	351958011	/nfs/dbraw/zinc/95/80/11/351958011.db2.gz	ZHNRHVKZWIXCHF-GJMOJQLCSA-N	-2	0	274.273	-0.267	10	0		CBAERL
COC[C@H]1CCN(C(=O)N[C@H](CC(=O)[O-])C(=O)[O-])C1	ZINC000166925209	351987993	/nfs/dbraw/zinc/98/79/93/351987993.db2.gz	YDBAJJUXIVUQAB-JGVFFNPUSA-N	-2	0	274.273	-0.408	10	0		CBAERL
O=C([O-])CN1CCCn2nc(C(=O)[O-])cc2C1=O	ZINC000498050822	354554228	/nfs/dbraw/zinc/55/42/28/354554228.db2.gz	WDTYDPJCRWKOIB-UHFFFAOYSA-N	-2	0	253.214	-0.488	10	0		CBAERL
O=C([O-])Cc1nc(-c2noc(CC(=O)[O-])n2)no1	ZINC000584630607	355033728	/nfs/dbraw/zinc/03/37/28/355033728.db2.gz	CEKLIKKRKGEZFA-UHFFFAOYSA-N	-2	0	254.158	-0.626	10	0		CBAERL
O=C([O-])C[C@@H](C(=O)[O-])C(C(=O)[O-])[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000065748385	304073163	/nfs/dbraw/zinc/07/31/63/304073163.db2.gz	XYGGIQVMMDMTKB-WCYVFKIXSA-N	-5	0	292.196	-0.962	10	0	in-vitro	CBAERL
O=C([O-])C[C@@H]1[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C[C@@H]1C(=O)[O-]	ZINC000100383880	304080879	/nfs/dbraw/zinc/08/08/79/304080879.db2.gz	RHRNYXVSZLSRRP-DRMQKGJZSA-N	-4	0	260.198	-0.417	10	0		CBAERL
O=C([O-])[C@H](O)[C@@H](OC(=O)c1ccccc1)C(=O)[O-]	ZINC000014720615	372754723	/nfs/dbraw/zinc/75/47/23/372754723.db2.gz	JXXURQWKKCNUBH-HTQZYQBOSA-N	-2	0	254.194	-0.258	10	0	endogenous,in-man	CBAERL
O=C([O-])CC[C@@H](NC(=O)c1ccc(=O)[nH]c1)C(=O)[O-]	ZINC000037395594	173175755	/nfs/dbraw/zinc/17/57/55/173175755.db2.gz	VNGNPBWZJFVUEJ-SSDOTTSWSA-N	-2	0	268.225	-0.577	10	0		CBAERL
NC(=O)CC[C@@H]([N-]S(=O)(=O)C(F)(F)F)C(=O)[O-]	ZINC000037462944	173225444	/nfs/dbraw/zinc/22/54/44/173225444.db2.gz	SYHKQADLZSHQBV-GSVOUGTGSA-N	-2	0	278.208	-0.856	10	0		CBAERL
O=C([O-])C[C@@H]1CCCCN1C(=O)Cn1[n-]c(=O)ccc1=O	ZINC000038025302	174009942	/nfs/dbraw/zinc/00/99/42/174009942.db2.gz	AXSGRCDMCFPHNW-VIFPVBQESA-N	-2	0	295.295	-0.195	10	0		CBAERL
O=C([O-])CCn1c(=O)[nH]c2cc(C(=O)[O-])ccc2c1=O	ZINC000070460632	175942506	/nfs/dbraw/zinc/94/25/06/175942506.db2.gz	VWURQOLULPJOJF-UHFFFAOYSA-N	-2	0	278.220	-0.137	10	0		CBAERL
O=C([O-])c1nn(-c2ccccc2F)c(=O)[n-]c1=O	ZINC000095884002	419476238	/nfs/dbraw/zinc/47/62/38/419476238.db2.gz	NRWCZILIPHRZII-UHFFFAOYSA-N	-2	0	251.173	-0.242	10	0		CBAERL
CC(C)NS(=O)(=O)c1cc(C(=O)[O-])n(CC(=O)[O-])c1	ZINC000675080839	544925189	/nfs/dbraw/zinc/92/51/89/544925189.db2.gz	WPIYSDNASQHZGJ-UHFFFAOYSA-N	-2	0	290.297	-0.042	10	0		CBAERL
Cc1cc(=O)n2c(-c3n[n-]c4nc(C)cc(=O)n34)n[n-]c2n1	ZINC000334162847	301067329	/nfs/dbraw/zinc/06/73/29/301067329.db2.gz	SJEPXZFTTSNBAB-UHFFFAOYSA-N	-2	0	298.266	-0.568	10	0		CBAERL
CC[C@]1(C(=O)[O-])CCCN(c2n[nH]c(=O)[n-]c2=O)C1	ZINC000062874822	523547381	/nfs/dbraw/zinc/54/73/81/523547381.db2.gz	QMDSOOZIYLWFPA-NSHDSACASA-N	-2	0	268.273	-0.461	10	0		CBAERL
COC(=O)[C@@H](C)S(=O)(=O)[N-]c1nccnc1C(=O)[O-]	ZINC000063216408	523554420	/nfs/dbraw/zinc/55/44/20/523554420.db2.gz	UEEQBWPBIKTNFA-RXMQYKEDSA-N	-2	0	289.269	-0.522	10	0		CBAERL
COc1ccc(C(=O)N[C@H](CC(=O)[O-])C(=O)[O-])c(N)c1	ZINC000082698699	178199444	/nfs/dbraw/zinc/19/94/44/178199444.db2.gz	QHQDCJZPERPERA-SECBINFHSA-N	-2	0	282.252	-0.065	10	0		CBAERL
CC[C@H](C)NC(=O)[C@H](C)N(CC(=O)[O-])CC(=O)[O-]	ZINC000104331247	185971018	/nfs/dbraw/zinc/97/10/18/185971018.db2.gz	YNOLSUPFQRUDQI-YUMQZZPRSA-N	-2	0	260.290	-0.239	10	0		CBAERL
Cc1nc(N)sc1C(=O)N(CC(=O)[O-])CC(=O)[O-]	ZINC000104340123	185975289	/nfs/dbraw/zinc/97/52/89/185975289.db2.gz	SMHRZMYADITZCA-UHFFFAOYSA-N	-2	0	273.270	-0.355	10	0		CBAERL
O=C([O-])/C=C\C(=O)OCCOC(=O)/C=C\C(=O)[O-]	ZINC000033953254	351383696	/nfs/dbraw/zinc/38/36/96/351383696.db2.gz	SORHAFXJCOXOIC-CCAGOZQPSA-N	-2	0	258.182	-0.646	10	0		CBAERL
O=C([O-])CC[C@H](NC(=O)N1CCOCC1)C(=O)[O-]	ZINC000040524217	351416917	/nfs/dbraw/zinc/41/69/17/351416917.db2.gz	UYBPOIFNWBDPKL-ZETCQYMHSA-N	-2	0	260.246	-0.654	10	0		CBAERL
O=C([O-])C[C@](O)(CC(=O)OP(=O)=O)C(=O)[O-]	ZINC000221251858	352239957	/nfs/dbraw/zinc/23/99/57/352239957.db2.gz	FPOPSPXJHGRLOO-LURJTMIESA-N	-2	0	254.087	-0.702	10	0		CBAERL
CC(C)N1C(=O)[C@@H]2[C@H](C(=O)[O-])C[C@@H](C(=O)[O-])[C@H]2C1=O	ZINC000256048371	352384543	/nfs/dbraw/zinc/38/45/43/352384543.db2.gz	SNEPLDPHXAMTPT-WCTZXXKLSA-N	-2	0	269.253	-0.199	10	0		CBAERL
CCN1C(=O)[C@H]2[C@H](C1=O)[C@@H](C(=O)[O-])CC[C@H]2C(=O)[O-]	ZINC000256046723	352384618	/nfs/dbraw/zinc/38/46/18/352384618.db2.gz	HQRPHUBMEZYCBS-ULAWRXDQSA-N	-2	0	269.253	-0.197	10	0		CBAERL
O=C([O-])C[C@@H]1C[C@H](C(=O)[O-])[C@@H](C(=O)[O-])[C@@H]1C(=O)[O-]	ZINC000242543287	304080909	/nfs/dbraw/zinc/08/09/09/304080909.db2.gz	JVHPXKUQBZKHEL-VEVTUDRCSA-N	-4	0	260.198	-0.417	10	0		CBAERL
CCCC[C@H](NC(=O)CN1CC(=O)NC1=O)C(=O)[O-]	ZINC000262259474	190051458	/nfs/dbraw/zinc/05/14/58/190051458.db2.gz	GACGVEDJRRCVRK-ZETCQYMHSA-N	-2	0	271.273	-0.702	10	0		CBAERL
CCN(CCC(=O)[O-])C(=O)Cn1[n-]c(=O)ccc1=O	ZINC000038022586	174003963	/nfs/dbraw/zinc/00/39/63/174003963.db2.gz	WDFIFWZHOGFKTO-UHFFFAOYSA-N	-2	0	269.257	-0.728	10	0		CBAERL
C[C@]1(CO)O[P@@](=O)([O-])OP(=O)([O-])OC[C@H]1O	ZINC000038665370	174151333	/nfs/dbraw/zinc/15/13/33/174151333.db2.gz	SFRQRNJMIIUYDI-RFZPGFLSSA-N	-2	0	278.090	-0.638	10	0	in-vivo	CBAERL
O=C([O-])c1ccc(S(=O)(=O)NCc2nnn[n-]2)cc1	ZINC000044930050	175279569	/nfs/dbraw/zinc/27/95/69/175279569.db2.gz	BPPPWDZTMYFYIO-UHFFFAOYSA-N	-2	0	283.269	-0.624	10	0		CBAERL
CNS(=O)(=O)c1cc(C(=O)[O-])n(CC(=O)[O-])c1	ZINC000675080720	544924547	/nfs/dbraw/zinc/92/45/47/544924547.db2.gz	UACGITBBHJKQTH-UHFFFAOYSA-N	-2	0	262.243	-0.821	10	0		CBAERL
COCC[C@@H](NC(=O)N[C@H](C)c1nnn[n-]1)C(=O)[O-]	ZINC000052788110	521845977	/nfs/dbraw/zinc/84/59/77/521845977.db2.gz	RQIBFAXDERGRIB-PHDIDXHHSA-N	-2	0	272.265	-0.950	10	0		CBAERL
O=C([O-])CC[C@H](NC(=O)[C@H]1CCCCO1)C(=O)[O-]	ZINC000050959393	527598450	/nfs/dbraw/zinc/59/84/50/527598450.db2.gz	AEDOTUWFRUNEQO-JGVFFNPUSA-N	-2	0	259.258	-0.010	10	0		CBAERL
CC(=O)N[C@@H](CSCCC(=O)C(=O)[O-])C(=O)[O-]	ZINC000012495589	571694856	/nfs/dbraw/zinc/69/48/56/571694856.db2.gz	AHFWWWFNCBRMIV-LURJTMIESA-N	-2	0	263.271	-0.647	10	0	endogenous,in-man	CBAERL
O=C([O-])CN(CC(=O)[O-])C(=O)NCC[C@@H]1CCCO1	ZINC000104336666	185974757	/nfs/dbraw/zinc/97/47/57/185974757.db2.gz	QJHDHWPPMDLJSN-QMMMGPOBSA-N	-2	0	274.273	-0.264	10	0		CBAERL
CO[C@@H]1CCC[C@H]1NC(=O)N(CC(=O)[O-])CC(=O)[O-]	ZINC000104340187	185975697	/nfs/dbraw/zinc/97/56/97/185975697.db2.gz	CVPFSZQXPRYIKA-HTQZYQBOSA-N	-2	0	274.273	-0.265	10	0		CBAERL
C[C@@H](C(=O)N(CC(=O)[O-])CC(=O)[O-])n1cccn1	ZINC000104342464	185976161	/nfs/dbraw/zinc/97/61/61/185976161.db2.gz	KPQXDGMHQKCVCO-ZETCQYMHSA-N	-2	0	255.230	-0.558	10	0		CBAERL
CC[C@@H]1CN(C(=O)N(CC(=O)[O-])CC(=O)[O-])CCO1	ZINC000104342493	185976199	/nfs/dbraw/zinc/97/61/99/185976199.db2.gz	FLTZPRWTPZVCEU-MRVPVSSYSA-N	-2	0	274.273	-0.312	10	0		CBAERL
O=C([O-])CN(CC(=O)[O-])C(=O)N1CCSCC1	ZINC000110970725	186338149	/nfs/dbraw/zinc/33/81/49/186338149.db2.gz	PXFUKSQODBRKMV-UHFFFAOYSA-N	-2	0	262.287	-0.374	10	0		CBAERL
O=C([O-])[C@H](O)[C@@H](OC(=O)/C=C/c1ccc(O)cc1)C(=O)[O-]	ZINC000014720623	351340616	/nfs/dbraw/zinc/34/06/16/351340616.db2.gz	INYJZRKTYXTZHP-NNPIPJJVSA-N	-2	0	296.231	-0.153	10	0	in-vitro	CBAERL
COC[C@@H]1CCN(C(=O)N(CC(=O)[O-])CC(=O)[O-])C1	ZINC000081106527	351702758	/nfs/dbraw/zinc/70/27/58/351702758.db2.gz	ROGSPZBPKWUNPE-MRVPVSSYSA-N	-2	0	274.273	-0.454	10	0		CBAERL
CN(C(=O)N(CC(=O)[O-])CC(=O)[O-])C1CCOCC1	ZINC000110971232	351800305	/nfs/dbraw/zinc/80/03/05/351800305.db2.gz	HUCXPTCFWRTKRI-UHFFFAOYSA-N	-2	0	274.273	-0.312	10	0		CBAERL
Nc1cc(S(=O)(=O)[O-])c(O)c(S(=O)(=O)[O-])c1	ZINC000147206040	351927959	/nfs/dbraw/zinc/92/79/59/351927959.db2.gz	NXMFAZYHTANJOJ-UHFFFAOYSA-N	-2	0	269.256	-0.532	10	0		CBAERL
CC1(C)S[C@@H]2[C@@H](C(=O)[O-])NC(=O)N2[C@@H]1C(=O)[O-]	ZINC000015274277	372756382	/nfs/dbraw/zinc/75/63/82/372756382.db2.gz	RXVCHKFNBPFYCC-VPENINKCSA-N	-2	0	260.271	-0.231	10	0		CBAERL
O=C([O-])CC[C@H](NC(=O)CN1CCCC1=O)C(=O)[O-]	ZINC000033866890	171823634	/nfs/dbraw/zinc/82/36/34/171823634.db2.gz	WICFOVLHDGIFFM-ZETCQYMHSA-N	-2	0	272.257	-0.957	10	0		CBAERL
CS(=O)(=O)c1ccccc1[N-]S(=O)(=O)CC(=O)[O-]	ZINC000036983672	172850199	/nfs/dbraw/zinc/85/01/99/172850199.db2.gz	HLCISXFJRSUNSI-UHFFFAOYSA-N	-2	0	293.322	-0.084	10	0		CBAERL
O=C([O-])CC[C@@H](NC(=O)CCn1ccnn1)C(=O)[O-]	ZINC000037584100	173530637	/nfs/dbraw/zinc/53/06/37/173530637.db2.gz	AYTNNIICMVGPPC-SSDOTTSWSA-N	-2	0	270.245	-0.898	10	0		CBAERL
CC(C)(C)OC(=O)N[C@H](C(=O)[O-])C(=O)NCCC(=O)[O-]	ZINC000022052516	278441863	/nfs/dbraw/zinc/44/18/63/278441863.db2.gz	XCFFIJUYJMERIS-ZETCQYMHSA-N	-2	0	290.272	-0.445	10	0	in-vitro	CBAERL
Nc1nc([O-])c(I)c(=O)[n-]1	ZINC000085447882	303503615	/nfs/dbraw/zinc/50/36/15/303503615.db2.gz	IPXPNFOHCAEFMA-UHFFFAOYSA-N	-2	0	252.999	-0.338	10	0		CBAERL
O=C([O-])CCC[C@H](C(=O)[O-])N(CC(=O)[O-])CC(=O)[O-]	ZINC000090694595	180026232	/nfs/dbraw/zinc/02/62/32/180026232.db2.gz	XLRGGRABKWHWFY-ZCFIWIBFSA-N	-4	0	277.229	-0.834	10	0		CBAERL
CC(=O)N[C@@H](CSC[C@H](C#N)C(=O)[O-])C(=O)[O-]	ZINC000065734009	351593825	/nfs/dbraw/zinc/59/38/25/351593825.db2.gz	LCOVTPWXUIAMFA-BQBZGAKWSA-N	-2	0	260.271	-0.467	10	0		CBAERL
CC(=O)N[C@@H](CSC[C@@H](C#N)C(=O)[O-])C(=O)[O-]	ZINC000065734008	351594044	/nfs/dbraw/zinc/59/40/44/351594044.db2.gz	LCOVTPWXUIAMFA-RQJHMYQMSA-N	-2	0	260.271	-0.467	10	0		CBAERL
CC(C)N1C(=O)[C@@H]2[C@H](C(=O)[O-])C[C@H](C(=O)[O-])[C@H]2C1=O	ZINC000256048370	352384573	/nfs/dbraw/zinc/38/45/73/352384573.db2.gz	SNEPLDPHXAMTPT-ULAWRXDQSA-N	-2	0	269.253	-0.199	10	0		CBAERL
CCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](C(=O)[O-])CC[C@H]2C(=O)[O-]	ZINC000256046725	352384680	/nfs/dbraw/zinc/38/46/80/352384680.db2.gz	HQRPHUBMEZYCBS-XUTVFYLZSA-N	-2	0	269.253	-0.197	10	0		CBAERL
CCCCOC[C@@H](O)CN(CC(=O)[O-])CC(=O)[O-]	ZINC000002525181	282842428	/nfs/dbraw/zinc/84/24/28/282842428.db2.gz	MEFRSPCAEIYGIX-VIFPVBQESA-N	-2	0	263.290	-0.365	10	0		CBAERL
O=C([O-])C[C@@H]1C[C@H](C(=O)[O-])[C@H](C(=O)[O-])[C@H]1C(=O)[O-]	ZINC000242543285	304080933	/nfs/dbraw/zinc/08/09/33/304080933.db2.gz	JVHPXKUQBZKHEL-KNOQVVGMSA-N	-4	0	260.198	-0.417	10	0		CBAERL
O=C([O-])[C@@H]1CCC(=O)N1CN1C(=O)CC[C@H]1C(=O)[O-]	ZINC000005188170	170074797	/nfs/dbraw/zinc/07/47/97/170074797.db2.gz	XAYYGTJLXVXLMB-BQBZGAKWSA-N	-2	0	270.241	-0.905	10	0		CBAERL
O=C([O-])c1ccc2[nH]c([C@@H](O)[C@@H](O)C(=O)[O-])nc2c1	ZINC000005942208	170159637	/nfs/dbraw/zinc/15/96/37/170159637.db2.gz	WXIXIDXTJUUOBE-JGVFFNPUSA-N	-2	0	266.209	-0.260	10	0		CBAERL
O=C([O-])[C@@H]1Cc2c(cccc2P(=O)([O-])[O-])C[NH2+]1	ZINC000006093840	170175684	/nfs/dbraw/zinc/17/56/84/170175684.db2.gz	VRDCPZSTZJNJOF-QMMMGPOBSA-N	-2	0	257.182	-0.412	10	0		CBAERL
NC(=O)CC[C@H](NC(=O)c1ccccc1C(=O)[O-])C(=O)[O-]	ZINC000006095189	170176082	/nfs/dbraw/zinc/17/60/82/170176082.db2.gz	ZIMWCUUEMGFXNW-VIFPVBQESA-N	-2	0	294.263	-0.167	10	0		CBAERL
C[C@H](C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])n1cccn1	ZINC000037584094	173530453	/nfs/dbraw/zinc/53/04/53/173530453.db2.gz	ZVLMXYMKCZHXQT-HTQZYQBOSA-N	-2	0	269.257	-0.122	10	0		CBAERL
O=C([O-])CC[C@H](NC(=O)N(CCO)C1CC1)C(=O)[O-]	ZINC000042481653	174758437	/nfs/dbraw/zinc/75/84/37/174758437.db2.gz	YBQOCHAWZBGVKA-QMMMGPOBSA-N	-2	0	274.273	-0.529	10	0		CBAERL
O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]CC(F)F	ZINC000147249898	334471171	/nfs/dbraw/zinc/47/11/71/334471171.db2.gz	PBEUVOAOTNVYFV-UHFFFAOYSA-N	-2	0	255.202	-0.349	10	0		CBAERL
[NH3+][C@@H](CCC[C@H](NC(=O)CCC(=O)[O-])C(=O)[O-])C(=O)[O-]	ZINC000001529947	571679948	/nfs/dbraw/zinc/67/99/48/571679948.db2.gz	GLXUWZBUPATPBR-BQBZGAKWSA-N	-2	0	290.272	-0.997	10	0	endogenous,in-man	CBAERL
O=C([O-])CN(CC(=O)[O-])c1ncnc2c1CCC2	ZINC000104341342	185975447	/nfs/dbraw/zinc/97/54/47/185975447.db2.gz	ATHYASXIPWVDMU-UHFFFAOYSA-N	-2	0	251.242	-0.059	10	0		CBAERL
O=C([O-])[C@@H](O)[C@](O)(Cc1ccc(O)cc1)C(=O)[O-]	ZINC000003197528	351313067	/nfs/dbraw/zinc/31/30/67/351313067.db2.gz	TUODPMGCCJSJRH-LDYMZIIASA-N	-2	0	256.210	-0.804	10	0	endogenous,in-man	CBAERL
CC(C)(C)OC(=O)N[C@@H](C(=O)[O-])C(=O)NCCC(=O)[O-]	ZINC000022052511	351355103	/nfs/dbraw/zinc/35/51/03/351355103.db2.gz	XCFFIJUYJMERIS-SSDOTTSWSA-N	-2	0	290.272	-0.445	10	0	in-vitro	CBAERL
CN1C(=O)[C@H]2[C@H](C1=O)[C@@H](C(=O)[O-])CC[C@H]2C(=O)[O-]	ZINC000256049188	352384622	/nfs/dbraw/zinc/38/46/22/352384622.db2.gz	YRHWQCDUHHNULI-XZBKPIIZSA-N	-2	0	255.226	-0.587	10	0		CBAERL
O=C([O-])CC[C@]1(C(=O)[O-])N[C@@H](C(=O)[O-])Cc2[nH]cnc21	ZINC000003589428	304063623	/nfs/dbraw/zinc/06/36/23/304063623.db2.gz	XGCZNSAJOHDWQS-KBUNVGBDSA-N	-3	0	283.240	-0.847	10	0		CBAERL
O=C([O-])C[C@H]1[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C[C@@H]1C(=O)[O-]	ZINC000100383876	304087394	/nfs/dbraw/zinc/08/73/94/304087394.db2.gz	RHRNYXVSZLSRRP-UELCQGJWSA-N	-4	0	260.198	-0.417	10	0		CBAERL
O=C([O-])Cn1cc(S(=O)(=O)[N-]c2ncccn2)cn1	ZINC000035651737	172328094	/nfs/dbraw/zinc/32/80/94/172328094.db2.gz	DXYDCVRJZGECTK-UHFFFAOYSA-N	-2	0	283.269	-0.442	10	0		CBAERL
NC(=O)CC[C@H]([N-]S(=O)(=O)C(F)(F)F)C(=O)[O-]	ZINC000037462942	173225267	/nfs/dbraw/zinc/22/52/67/173225267.db2.gz	SYHKQADLZSHQBV-VKHMYHEASA-N	-2	0	278.208	-0.856	10	0		CBAERL
Cn1cc(S(=O)(=O)[N-]c2c(C(=O)[O-])cnn2C)cn1	ZINC000037463061	173225464	/nfs/dbraw/zinc/22/54/64/173225464.db2.gz	DZGBCTLGRKBJOR-UHFFFAOYSA-N	-2	0	285.285	-0.347	10	0		CBAERL
C[C@@H](C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])n1cncn1	ZINC000037584097	173530519	/nfs/dbraw/zinc/53/05/19/173530519.db2.gz	UMPWGMQUFAWEOR-NKWVEPMBSA-N	-2	0	270.245	-0.727	10	0		CBAERL
C[C@H](O)[C@H](NS(=O)(=O)c1cncc(F)c1)C(=O)[O-]	ZINC000044260382	544419313	/nfs/dbraw/zinc/41/93/13/544419313.db2.gz	NOBFXMFFAQJMTA-XNCJUZBTSA-N	-2	0	278.261	-0.667	10	0		CBAERL
O=C([O-])CSC[C@H](O)[C@H]1OC(=O)C(O)=C1[O-]	ZINC000536959597	330384014	/nfs/dbraw/zinc/38/40/14/330384014.db2.gz	LIRWWMYVQGQAOJ-CLTAVNFZSA-N	-2	0	250.228	-0.582	10	0		CBAERL
C[C@]1(C(=O)[O-])CCN(C(=O)NCc2nnn[n-]2)C1	ZINC000062934739	525229743	/nfs/dbraw/zinc/22/97/43/525229743.db2.gz	NJWGQIRFCZENSN-VIFPVBQESA-N	-2	0	254.250	-0.794	10	0		CBAERL
Nc1nc(CC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cs1	ZINC000055272881	527549671	/nfs/dbraw/zinc/54/96/71/527549671.db2.gz	NWYZZPRIYVOZDD-LURJTMIESA-N	-2	0	287.297	-0.298	10	0		CBAERL
Nc1nc(CC(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cs1	ZINC000055272882	527549849	/nfs/dbraw/zinc/54/98/49/527549849.db2.gz	NWYZZPRIYVOZDD-ZCFIWIBFSA-N	-2	0	287.297	-0.298	10	0		CBAERL
O=c1ccn([C@H]2CC[C@@H](COP(=O)([O-])[O-])O2)c(=O)[nH]1	ZINC000013546293	560219595	/nfs/dbraw/zinc/21/95/95/560219595.db2.gz	YHPMDBWWRCBXNU-POYBYMJQSA-N	-2	0	292.184	-0.677	10	0	in-vitro	CBAERL
O=C([O-])C(F)(F)C[N-]S(=O)(=O)C[C@H]1CCCO1	ZINC000310136464	656143100	/nfs/dbraw/zinc/14/31/00/656143100.db2.gz	MCYJJRVPXZQRHQ-ZCFIWIBFSA-N	-2	0	273.257	-0.195	10	0		CBAERL
CC(C)n1ccnc(N(CC(=O)[O-])CC(=O)[O-])c1=O	ZINC000104330088	185971353	/nfs/dbraw/zinc/97/13/53/185971353.db2.gz	KLNRXAJGZGWCFC-UHFFFAOYSA-N	-2	0	269.257	-0.200	10	0		CBAERL
Nc1ccc(NC(=O)C(=O)[O-])c(S(=O)(=O)[O-])c1	ZINC000002243096	351307656	/nfs/dbraw/zinc/30/76/56/351307656.db2.gz	SBPQKRDZOWFQJU-UHFFFAOYSA-N	-2	0	260.227	-0.461	10	0		CBAERL
C[C@H]1[C@](C)(C(=O)[O-])S[C@H](S(N)(=O)=O)[C@@]1(C)C(=O)[O-]	ZINC000100223632	351780538	/nfs/dbraw/zinc/78/05/38/351780538.db2.gz	UTVYEYRENSHMOA-XCBZGROMSA-N	-2	0	297.354	-0.082	10	0		CBAERL
COC[C@@H]1CCN(C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])C1	ZINC000166924904	351987443	/nfs/dbraw/zinc/98/74/43/351987443.db2.gz	YDBAJJUXIVUQAB-SFYZADRCSA-N	-2	0	274.273	-0.408	10	0		CBAERL
CC(C)N1C(=O)[C@H]2[C@H](C(=O)[O-])C[C@@H](C(=O)[O-])[C@H]2C1=O	ZINC000256048372	352384519	/nfs/dbraw/zinc/38/45/19/352384519.db2.gz	SNEPLDPHXAMTPT-XUTVFYLZSA-N	-2	0	269.253	-0.199	10	0		CBAERL
C[C@H](N)C(=O)Oc1cc(P(=O)([O-])[O-])cs1	ZINC000584636509	355034090	/nfs/dbraw/zinc/03/40/90/355034090.db2.gz	XGHPFDRKOPPFGE-BYPYZUCNSA-N	-2	0	251.200	-0.196	10	0		CBAERL
O=C([O-])C[C@@H](C(=O)[O-])C(C(=O)[O-])[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000065748386	304073319	/nfs/dbraw/zinc/07/33/19/304073319.db2.gz	XYGGIQVMMDMTKB-QWWZWVQMSA-N	-5	0	292.196	-0.962	10	0	in-vitro	CBAERL
CC1(C)S[C@@H]2[C@H](C(=O)[O-])NC(=O)N2[C@@H]1C(=O)[O-]	ZINC000015274279	372755997	/nfs/dbraw/zinc/75/59/97/372755997.db2.gz	RXVCHKFNBPFYCC-UOWFLXDJSA-N	-2	0	260.271	-0.231	10	0		CBAERL
CCC[C@H](NC(=O)c1cnc([O-])n(C)c1=O)C(=O)[O-]	ZINC000262092000	190048422	/nfs/dbraw/zinc/04/84/22/190048422.db2.gz	CSCMMULCFPUIFS-ZETCQYMHSA-N	-2	0	269.257	-0.531	10	0		CBAERL
O=C([O-])[C@H](OC(=O)c1ccccc1)[C@H](O)C(=O)[O-]	ZINC000014720613	170643152	/nfs/dbraw/zinc/64/31/52/170643152.db2.gz	JXXURQWKKCNUBH-JGVFFNPUSA-N	-2	0	254.194	-0.258	10	0	endogenous,in-man	CBAERL
O=C([O-])c1ccc2[nH]c([C@H](O)[C@@H](O)C(=O)[O-])nc2c1	ZINC000020493901	171226607	/nfs/dbraw/zinc/22/66/07/171226607.db2.gz	WXIXIDXTJUUOBE-HTQZYQBOSA-N	-2	0	266.209	-0.260	10	0		CBAERL
O=C([O-])CC[C@H](NC(=O)c1cnccn1)C(=O)[O-]	ZINC000037395591	173175850	/nfs/dbraw/zinc/17/58/50/173175850.db2.gz	WSUNYNNTQCLDJL-LURJTMIESA-N	-2	0	253.214	-0.476	10	0		CBAERL
Cc1cnc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cn1	ZINC000037583940	173530318	/nfs/dbraw/zinc/53/03/18/173530318.db2.gz	BAODERJLBGAKSQ-ZETCQYMHSA-N	-2	0	267.241	-0.167	10	0		CBAERL
O=C([O-])CC[C@H](C(=O)[O-])N1CCS(=O)(=O)CC1	ZINC000037592382	173541078	/nfs/dbraw/zinc/54/10/78/173541078.db2.gz	WTUUTAJPQDSLAW-SSDOTTSWSA-N	-2	0	265.287	-0.965	10	0		CBAERL
O=C([O-])CC[C@@H](NC(=O)N1CCOCC1)C(=O)[O-]	ZINC000040524218	544419307	/nfs/dbraw/zinc/41/93/07/544419307.db2.gz	UYBPOIFNWBDPKL-SSDOTTSWSA-N	-2	0	260.246	-0.654	10	0		CBAERL
O=C([O-])CSC[C@@H](O)[C@H]1OC(=O)C(O)=C1[O-]	ZINC000675058551	544923942	/nfs/dbraw/zinc/92/39/42/544923942.db2.gz	LIRWWMYVQGQAOJ-WVBDSBKLSA-N	-2	0	250.228	-0.582	10	0		CBAERL
CC(C)(COP(=O)([O-])[O-])[C@H](O)C(=O)NCCC(=O)[O-]	ZINC000002002607	351306674	/nfs/dbraw/zinc/30/66/74/351306674.db2.gz	XHFVGHPGDLDEQO-SSDOTTSWSA-N	-3	0	299.216	-0.926	10	0	endogenous,in-man	CBAERL
O=C([O-])C[C@@](O)(CC(=O)OP(=O)=O)C(=O)[O-]	ZINC000221251800	352240349	/nfs/dbraw/zinc/24/03/49/352240349.db2.gz	FPOPSPXJHGRLOO-ZCFIWIBFSA-N	-2	0	254.087	-0.702	10	0		CBAERL
O=C([O-])CC[C@H](C(=O)[O-])N1C(=O)c2cccnc2C1=O	ZINC000037974371	304060811	/nfs/dbraw/zinc/06/08/11/304060811.db2.gz	DTYTXZWLVDPNIP-SSDOTTSWSA-N	-2	0	278.220	-0.004	10	0		CBAERL
[NH3+][C@]1(C(=O)[O-])CCc2cc(P(=O)([O-])[O-])ccc21	ZINC000002379522	372753569	/nfs/dbraw/zinc/75/35/69/372753569.db2.gz	ZNQZXIHSJUDIKL-SNVBAGLBSA-N	-2	0	257.182	-0.326	10	0	in-vitro	CBAERL
CCC[C@@H](NC(=O)c1cnc([O-])n(C)c1=O)C(=O)[O-]	ZINC000262091998	190048386	/nfs/dbraw/zinc/04/83/86/190048386.db2.gz	CSCMMULCFPUIFS-SSDOTTSWSA-N	-2	0	269.257	-0.531	10	0		CBAERL
O=C([O-])[C@H]1CN(C(=O)N2CCOCC2)CC[C@@H]1C(=O)[O-]	ZINC000159600709	327545669	/nfs/dbraw/zinc/54/56/69/327545669.db2.gz	BWZRFJKTGKFHSH-IUCAKERBSA-N	-2	0	286.284	-0.454	10	0		CBAERL
O=C([O-])C[C@@H]1C[C@H](C(=O)[O-])[C@H](C(=O)[O-])[C@@H]1C(=O)[O-]	ZINC000115688190	351820282	/nfs/dbraw/zinc/82/02/82/351820282.db2.gz	JVHPXKUQBZKHEL-JWSCLZLWSA-N	-4	0	260.198	-0.417	10	0		CBAERL
CN1C(=O)[C@H]2[C@H](C1=O)[C@H](C(=O)[O-])CC[C@H]2C(=O)[O-]	ZINC000256049186	352384507	/nfs/dbraw/zinc/38/45/07/352384507.db2.gz	YRHWQCDUHHNULI-DBRKOABJSA-N	-2	0	255.226	-0.587	10	0		CBAERL
O=C([O-])CC[C@]1(C(=O)[O-])N[C@H](C(=O)[O-])Cc2[nH]cnc21	ZINC000001631504	304063655	/nfs/dbraw/zinc/06/36/55/304063655.db2.gz	XGCZNSAJOHDWQS-KGFZYKRKSA-N	-3	0	283.240	-0.847	10	0	in-vitro	CBAERL
O=C([O-])C[C@@H](C(=O)[O-])[C@H](C(=O)[O-])[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000247693451	372889263	/nfs/dbraw/zinc/88/92/63/372889263.db2.gz	XYGGIQVMMDMTKB-ITDWFLHKSA-N	-5	0	292.196	-0.962	10	0		CBAERL
O=C([O-])Cn1cc(S(=O)(=O)[N-]c2cn[nH]c2)cn1	ZINC000035764136	172404499	/nfs/dbraw/zinc/40/44/99/172404499.db2.gz	FKSCTFCDPYVGPT-UHFFFAOYSA-N	-2	0	271.258	-0.508	10	0		CBAERL
O=C([O-])[C@@H](O)[C@H](OC(=O)/C=C/c1ccc(O)cc1)C(=O)[O-]	ZINC000014720625	260025787	/nfs/dbraw/zinc/02/57/87/260025787.db2.gz	INYJZRKTYXTZHP-LUSJXZINSA-N	-2	0	296.231	-0.153	10	0	in-vitro	CBAERL
COCC[C@@H](NC(=O)N[C@@H](C)c1nnn[n-]1)C(=O)[O-]	ZINC000052788109	521845244	/nfs/dbraw/zinc/84/52/44/521845244.db2.gz	RQIBFAXDERGRIB-NTSWFWBYSA-N	-2	0	272.265	-0.950	10	0		CBAERL
[NH3+][C@H](Cc1ccccc1)C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-]	ZINC000002567233	571683511	/nfs/dbraw/zinc/68/35/11/571683511.db2.gz	JXWLMUIXUXLIJR-GHMZBOCLSA-N	-2	0	294.307	-0.009	10	0	endogenous,in-man	CBAERL
O=C([O-])CCC[C@@H](NC(=O)N1CCOCC1)C(=O)[O-]	ZINC000227941033	352259758	/nfs/dbraw/zinc/25/97/58/352259758.db2.gz	HHSUILYMJHLOFT-MRVPVSSYSA-N	-2	0	274.273	-0.264	10	0		CBAERL
O=C([O-])C[C@@H]1C[C@H](C(=O)[O-])[C@@H](C(=O)[O-])[C@H]1C(=O)[O-]	ZINC000242543286	304080819	/nfs/dbraw/zinc/08/08/19/304080819.db2.gz	JVHPXKUQBZKHEL-SUAKCOOASA-N	-4	0	260.198	-0.417	10	0		CBAERL
O=C([O-])CC[C@H](NC(=O)[C@@H]1CSC(=O)N1)C(=O)[O-]	ZINC000037584084	173530368	/nfs/dbraw/zinc/53/03/68/173530368.db2.gz	ZPDBLHCUFTZISI-WHFBIAKZSA-N	-2	0	276.270	-0.754	10	0		CBAERL
O=C([O-])CC[C@H](NC(=O)c1ccc(=O)oc1)C(=O)[O-]	ZINC000037583986	173530619	/nfs/dbraw/zinc/53/06/19/173530619.db2.gz	PVZWCSXDWFYDKE-ZETCQYMHSA-N	-2	0	269.209	-0.312	10	0		CBAERL
O=C([O-])CC[C@@H](NC(=O)c1ccc(=O)oc1)C(=O)[O-]	ZINC000037583987	173530675	/nfs/dbraw/zinc/53/06/75/173530675.db2.gz	PVZWCSXDWFYDKE-SSDOTTSWSA-N	-2	0	269.209	-0.312	10	0		CBAERL
Cn1cc([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])cn1	ZINC000037732011	173652565	/nfs/dbraw/zinc/65/25/65/173652565.db2.gz	VDPBSEUNTCLCGG-UHFFFAOYSA-N	-2	0	271.258	-0.358	10	0		CBAERL
CCN(C)S(=O)(=O)c1cc(C(=O)[O-])n(CC(=O)[O-])c1	ZINC000675079957	544925012	/nfs/dbraw/zinc/92/50/12/544925012.db2.gz	KEQZSIFPPXHPOH-UHFFFAOYSA-N	-2	0	290.297	-0.089	10	0		CBAERL
CCNS(=O)(=O)c1cc(C(=O)[O-])n(CC(=O)[O-])c1	ZINC000675078909	544925824	/nfs/dbraw/zinc/92/58/24/544925824.db2.gz	BDTWVJXJNQULOY-UHFFFAOYSA-N	-2	0	276.270	-0.431	10	0		CBAERL
COCC[C@H](NC(=O)N[C@@H](C)c1nnn[n-]1)C(=O)[O-]	ZINC000052788107	521963295	/nfs/dbraw/zinc/96/32/95/521963295.db2.gz	RQIBFAXDERGRIB-WDSKDSINSA-N	-2	0	272.265	-0.950	10	0		CBAERL
CC[C@@]1(C(=O)[O-])CCCN(c2n[nH]c(=O)[n-]c2=O)C1	ZINC000062874823	523700496	/nfs/dbraw/zinc/70/04/96/523700496.db2.gz	QMDSOOZIYLWFPA-LLVKDONJSA-N	-2	0	268.273	-0.461	10	0		CBAERL
O=C([O-])CCC(=O)N[C@@H](CCCC(=O)C(=O)[O-])C(=O)[O-]	ZINC000001529966	571679921	/nfs/dbraw/zinc/67/99/21/571679921.db2.gz	SDVXSCSNVVZWDD-LURJTMIESA-N	-3	0	289.240	-0.755	10	0	endogenous,in-man	CBAERL
COc1ccc(C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])c(N)c1	ZINC000082698698	178199252	/nfs/dbraw/zinc/19/92/52/178199252.db2.gz	QHQDCJZPERPERA-VIFPVBQESA-N	-2	0	282.252	-0.065	10	0		CBAERL
CCCCn1nnnc1CN(CC(=O)[O-])CC(=O)[O-]	ZINC000104327831	185970907	/nfs/dbraw/zinc/97/09/07/185970907.db2.gz	QOAGCCGTLSSYMI-UHFFFAOYSA-N	-2	0	271.277	-0.556	10	0		CBAERL
O=C([O-])CN(CC(=O)[O-])C(=O)N[C@@H]1CCCC[C@@H]1O	ZINC000104340212	185975494	/nfs/dbraw/zinc/97/54/94/185975494.db2.gz	NZNUJWDUXGDXPA-SFYZADRCSA-N	-2	0	274.273	-0.529	10	0		CBAERL
O=C([O-])CS(=O)(=O)[N-]c1ccc(Cl)nn1	ZINC000160030161	351968001	/nfs/dbraw/zinc/96/80/01/351968001.db2.gz	BXJAIIGGUQSRQC-UHFFFAOYSA-N	-2	0	251.651	-0.044	10	0		CBAERL
COC[C@H]1CCN(C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])C1	ZINC000166924984	351987620	/nfs/dbraw/zinc/98/76/20/351987620.db2.gz	YDBAJJUXIVUQAB-YUMQZZPRSA-N	-2	0	274.273	-0.408	10	0		CBAERL
O=C([O-])C[C@H]1CCCCN1c1n[nH]c(=O)[n-]c1=O	ZINC000038027082	134852482	/nfs/dbraw/zinc/85/24/82/134852482.db2.gz	LLQWVYILFLOCBF-ZCFIWIBFSA-N	-2	0	254.246	-0.708	10	0		CBAERL
O=C([O-])[C@H](O)[C@@](O)(Cc1ccc(O)cc1)C(=O)[O-]	ZINC000003197533	169867709	/nfs/dbraw/zinc/86/77/09/169867709.db2.gz	TUODPMGCCJSJRH-KWQFWETISA-N	-2	0	256.210	-0.804	10	0	endogenous,in-man	CBAERL
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CCN(C(=O)NCc1nnn[n-]1)C(C)(C)C(=O)[O-]	ZINC000061176851	519974078	/nfs/dbraw/zinc/97/40/78/519974078.db2.gz	OEVQSBSIZAEQKP-UHFFFAOYSA-N	-2	0	256.266	-0.406	10	0		CBAERL
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CN(C)c1nc2[n-]c(=O)c(C(=O)[O-])nc2c(=O)[nH]1	ZINC000584658733	374376526	/nfs/dbraw/zinc/37/65/26/374376526.db2.gz	JXGAXGQTQANYTR-UHFFFAOYSA-N	-2	0	251.202	-0.817	10	0		CBAERL
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C[C@@H](C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])n1cccn1	ZINC000037584091	173530357	/nfs/dbraw/zinc/53/03/57/173530357.db2.gz	ZVLMXYMKCZHXQT-YUMQZZPRSA-N	-2	0	269.257	-0.122	10	0		CBAERL
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CC(C)N(CCO)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000042481343	174758187	/nfs/dbraw/zinc/75/81/87/174758187.db2.gz	AEXHRUWNPNWSBR-QMMMGPOBSA-N	-2	0	276.289	-0.283	10	0		CBAERL
CCCN(CC(=O)[O-])C(=O)N[C@H](C)c1nnn[n-]1	ZINC000044935895	175281063	/nfs/dbraw/zinc/28/10/63/175281063.db2.gz	MCZVZMTWLVSCET-ZCFIWIBFSA-N	-2	0	256.266	-0.233	10	0		CBAERL
CN(C)S(=O)(=O)c1cc(C(=O)[O-])n(CC(=O)[O-])c1	ZINC000675079580	544924701	/nfs/dbraw/zinc/92/47/01/544924701.db2.gz	INROFGVQVBVYMK-UHFFFAOYSA-N	-2	0	276.270	-0.479	10	0		CBAERL
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Cn1cc(S(=O)(=O)[N-]c2nccnc2C(=O)[O-])cn1	ZINC000063216494	527292162	/nfs/dbraw/zinc/29/21/62/527292162.db2.gz	NYLILSKQGMJWTF-UHFFFAOYSA-N	-2	0	283.269	-0.291	10	0		CBAERL
[NH3+][C@H](CCC[C@H](NC(=O)CCC(=O)[O-])C(=O)[O-])C(=O)[O-]	ZINC000003870285	571684008	/nfs/dbraw/zinc/68/40/08/571684008.db2.gz	GLXUWZBUPATPBR-RQJHMYQMSA-N	-2	0	290.272	-0.997	10	0	endogenous,in-man	CBAERL
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C[C@@H](C(=O)[O-])N(C)C(=O)c1cnc(C(=O)[O-])cn1	ZINC000261602726	656125492	/nfs/dbraw/zinc/12/54/92/656125492.db2.gz	CIONXBGYBXLVST-YFKPBYRVSA-N	-2	0	253.214	-0.280	10	0		CBAERL
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CN(C[C@H]1CCCO1)C(=O)N(CC(=O)[O-])CC(=O)[O-]	ZINC000104336629	185974499	/nfs/dbraw/zinc/97/44/99/185974499.db2.gz	LCJUXFKVSSNFEJ-MRVPVSSYSA-N	-2	0	274.273	-0.312	10	0		CBAERL
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COC(=O)C[C@H]([N-]S(=O)(=O)C(F)(F)F)C(=O)[O-]	ZINC000071337475	176128234	/nfs/dbraw/zinc/12/82/34/176128234.db2.gz	DUXULKREIWIHHY-VKHMYHEASA-N	-2	0	279.192	-0.558	10	0		CBAERL
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Cc1c(C(=O)N(CC(=O)[O-])CC(=O)[O-])cnn1C	ZINC000104343935	185976517	/nfs/dbraw/zinc/97/65/17/185976517.db2.gz	VGVSTPBOFPKIGN-UHFFFAOYSA-N	-2	0	255.230	-0.660	10	0		CBAERL
CCN(CC)C(=O)[C@@H](C)N(CC(=O)[O-])CC(=O)[O-]	ZINC000104345221	185976669	/nfs/dbraw/zinc/97/66/69/185976669.db2.gz	XKSKFGSIRKFGCB-MRVPVSSYSA-N	-2	0	260.290	-0.286	10	0		CBAERL
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CCN1C(=O)[C@@H]2[C@H](C(=O)[O-])C[C@@H](C(=O)[O-])[C@H]2C1=O	ZINC000256048144	352384569	/nfs/dbraw/zinc/38/45/69/352384569.db2.gz	RATNARLOROKJFT-DBRKOABJSA-N	-2	0	255.226	-0.587	10	0		CBAERL
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Cc1oc(CNc2n[nH]c(=O)[n-]c2=O)cc1C(=O)[O-]	ZINC000038059963	174070039	/nfs/dbraw/zinc/07/00/39/174070039.db2.gz	KUWCIAAVWIIBOH-UHFFFAOYSA-N	-2	0	266.213	-0.330	10	0		CBAERL
[NH3+][C@@H](Cc1ccc(O)cc1P(=O)([O-])[O-])C(=O)[O-]	ZINC000078682334	177371694	/nfs/dbraw/zinc/37/16/94/177371694.db2.gz	MUYJKCHJGVIUAR-ZETCQYMHSA-N	-2	0	261.170	-0.850	10	0		CBAERL
C[C@@H](O)[C@@H](NS(=O)(=O)c1cncc(F)c1)C(=O)[O-]	ZINC000044260394	544419266	/nfs/dbraw/zinc/41/92/66/544419266.db2.gz	NOBFXMFFAQJMTA-SVGQVSJJSA-N	-2	0	278.261	-0.667	10	0		CBAERL
C[C@]1(CNS(=O)(=O)c2n[nH]cc2C(=O)[O-])CCOC1	ZINC000397221935	329344764	/nfs/dbraw/zinc/34/47/64/329344764.db2.gz	GQBJWBFLKADKNI-SNVBAGLBSA-N	-2	0	289.313	-0.187	10	0		CBAERL