smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C(=O)OC(C)(C)C)[C@@H]([C@H](C(=O)[O-])[C@@H](O)C(=O)[O-])C(F)(F)F	ZINC000225805787	436713636	/nfs/dbraw/zinc/71/36/36/436713636.db2.gz	BQLVUPQRAQMJGT-QYNIQEEDSA-N	-2	0	345.270	0.931	40	0		ECABRL
O=C([O-])CSC(=S)NCCNC(=S)SCC(=O)[O-]	ZINC000005178454	435985198	/nfs/dbraw/zinc/98/51/98/435985198.db2.gz	FNWUENKHSUYDGL-UHFFFAOYSA-N	-2	0	328.462	0.371	40	0		ECABRL
O=C([O-])/C=C/C(=O)Nc1cc(Cl)nc(NC(=O)/C=C/C(=O)[O-])n1	ZINC000001679075	201515838	/nfs/dbraw/zinc/51/58/38/201515838.db2.gz	INDGSWHXVFQRLS-ZPUQHVIOSA-N	-2	0	340.679	0.289	40	0		ECABRL
O=C([O-])COc1cccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])c1	ZINC000107815886	436614072	/nfs/dbraw/zinc/61/40/72/436614072.db2.gz	ZVASLAXFSUJROT-SNAWJCMRSA-N	-2	0	333.256	0.605	40	0		ECABRL
Cc1ccc(S(=O)(=O)[N-]C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000005794706	435994077	/nfs/dbraw/zinc/99/40/77/435994077.db2.gz	TUZYPEYNCWLACJ-JTQLQIEISA-N	-3	0	344.345	0.301	40	0		ECABRL
CCOC(=O)C1=C(N)Oc2[n-]c([O-])nc(=O)c2[C@H]1c1ccccc1	ZINC000003073374	435970182	/nfs/dbraw/zinc/97/01/82/435970182.db2.gz	COTAOQQIAVPXAW-VIFPVBQESA-N	-2	0	329.312	0.321	40	0		ECABRL
Nc1nc(=O)c2c([nH]1)NC[C@H](CCNc1ccc(C(=O)[O-])cc1)N2	ZINC000008664075	436030456	/nfs/dbraw/zinc/03/04/56/436030456.db2.gz	IKEUYFXXIDRTHZ-JTQLQIEISA-N	-2	0	330.348	0.759	40	0	in-vitro	ECABRL
CC1(C)[C@@H]2SC(=S)[N-][C@@H]2S[C@H]2C(=O)N(CC(=O)[O-])C(=O)[C@@H]21	ZINC000016776738	436094127	/nfs/dbraw/zinc/09/41/27/436094127.db2.gz	WEZNZTKGBBGDGM-WCTZXXKLSA-N	-2	0	346.455	0.514	40	0		ECABRL
O=C([O-])c1cc(NC(=O)C[C@H]2SC(=O)[N-]C2=O)cc(C(=O)[O-])c1	ZINC000016899477	436097946	/nfs/dbraw/zinc/09/79/46/436097946.db2.gz	JXYINNKRAOELDC-MRVPVSSYSA-N	-3	0	338.297	0.763	40	0		ECABRL
O=C([O-])CC[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000002556693	435969434	/nfs/dbraw/zinc/96/94/34/435969434.db2.gz	JBGBOEMFZSZCMX-NSHDSACASA-N	-2	0	338.316	0.347	40	0		ECABRL
COc1ccc(/C=C\C(=O)[O-])cc1S(=O)(=O)NCCC(=O)[O-]	ZINC000033340756	295062784	/nfs/dbraw/zinc/06/27/84/295062784.db2.gz	AZLJKVMBVTUBKH-HYXAFXHYSA-N	-2	0	329.330	0.546	40	0		ECABRL
CCOC(=O)C1=C(N)Oc2[n-]c([O-])nc(=O)c2[C@H]1c1ccc(F)cc1	ZINC000003073386	435971967	/nfs/dbraw/zinc/97/19/67/435971967.db2.gz	XGFDTTRKUBTESM-VIFPVBQESA-N	-2	0	347.302	0.460	40	0		ECABRL
O=C([O-])C[C@H](C(=O)[O-])[C@@H](OC(=O)/C=C/c1ccc(O)cc1)C(=O)[O-]	ZINC000013536425	257845142	/nfs/dbraw/zinc/84/51/42/257845142.db2.gz	LRJBKCVWTWKWRX-JLBMVGGZSA-N	-3	0	338.268	0.577	40	0	biogenic,in-vitro	ECABRL
CCOC(=O)C1=C(N)Oc2[n-]c([O-])nc(=O)c2[C@@H]1c1ccccc1	ZINC000003073375	435970910	/nfs/dbraw/zinc/97/09/10/435970910.db2.gz	COTAOQQIAVPXAW-SECBINFHSA-N	-2	0	329.312	0.321	40	0		ECABRL
C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000001606189	209766591	/nfs/dbraw/zinc/76/65/91/209766591.db2.gz	ZEMLEJZWLPVYOC-MWLCHTKSSA-N	-2	0	338.316	0.345	40	0		ECABRL
CC1(C)[C@H]2SC(=S)[N-][C@@H]2S[C@@H]2C(=O)N(CC(=O)[O-])C(=O)[C@H]21	ZINC000007260150	436009830	/nfs/dbraw/zinc/00/98/30/436009830.db2.gz	WEZNZTKGBBGDGM-DKXJUACHSA-N	-2	0	346.455	0.514	40	0		ECABRL
O=C([O-])c1ccc2c(c1)[n-]c(=S)n(CCN1CCOCC1)c2=O	ZINC000015424413	436081109	/nfs/dbraw/zinc/08/11/09/436081109.db2.gz	YDUVUBXMBNQNQJ-UHFFFAOYSA-N	-2	0	335.385	0.716	40	0		ECABRL
O=C([O-])C[C@@H](C(=O)[O-])[C@H](OC(=O)/C=C/c1ccc(O)cc1)C(=O)[O-]	ZINC000085565475	257844842	/nfs/dbraw/zinc/84/48/42/257844842.db2.gz	LRJBKCVWTWKWRX-AJOUATDUSA-N	-3	0	338.268	0.577	40	0	biogenic,in-vitro	ECABRL
CC1(C)[C@H]2SC(=S)[N-][C@@H]2S[C@H]2C(=O)N(CC(=O)[O-])C(=O)[C@H]21	ZINC000024251986	436132972	/nfs/dbraw/zinc/13/29/72/436132972.db2.gz	WEZNZTKGBBGDGM-FKSUSPILSA-N	-2	0	346.455	0.514	40	0		ECABRL
C[C@H](Cc1ccccc1)NN(CS(=O)(=O)[O-])CS(=O)(=O)[O-]	ZINC000019167134	436105554	/nfs/dbraw/zinc/10/55/54/436105554.db2.gz	MYWFEIUSQKFJPJ-SNVBAGLBSA-N	-2	0	338.407	0.115	40	0		ECABRL
CCOC(=O)C1=C(N)Oc2[n-]c([O-])nc(=O)c2[C@@H]1c1ccc(F)cc1	ZINC000003073387	435970126	/nfs/dbraw/zinc/97/01/26/435970126.db2.gz	XGFDTTRKUBTESM-SECBINFHSA-N	-2	0	347.302	0.460	40	0		ECABRL
CN(C(=O)OC(C)(C)C)[C@H]([C@H](C(=O)[O-])[C@@H](O)C(=O)[O-])C(F)(F)F	ZINC000225805810	436712904	/nfs/dbraw/zinc/71/29/04/436712904.db2.gz	BQLVUPQRAQMJGT-FSDSQADBSA-N	-2	0	345.270	0.931	40	0		ECABRL
Cc1[n-]n(-c2ccccc2)c(=O)c1[C@@](C)(C(=O)[O-])S(=O)(=O)[O-]	ZINC000077313137	436231172	/nfs/dbraw/zinc/23/11/72/436231172.db2.gz	QPTXNUZKOOCRLD-MFKMUULPSA-N	-3	0	326.330	0.756	40	0	in-vitro	ECABRL
O=C([O-])[C@@H]1CC(=O)N(c2cccc(N3C[C@H](C(=O)[O-])CC3=O)c2)C1	ZINC000045953654	213768721	/nfs/dbraw/zinc/76/87/21/213768721.db2.gz	ZMLQWAVJGOZMHX-NXEZZACHSA-N	-2	0	332.312	0.562	40	0		ECABRL
O=C([O-])c1ccc(C(=O)[O-])c(NC(=O)C[C@@H]2SC(=O)[N-]C2=O)c1	ZINC000016905454	436098112	/nfs/dbraw/zinc/09/81/12/436098112.db2.gz	RYYMKIWAKQSNPG-QMMMGPOBSA-N	-3	0	338.297	0.763	40	0		ECABRL
C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000001606186	209767088	/nfs/dbraw/zinc/76/70/88/209767088.db2.gz	ZEMLEJZWLPVYOC-ONGXEEELSA-N	-2	0	338.316	0.345	40	0		ECABRL
O=S(=O)([O-])CSc1nnc(SCS(=O)(=O)[O-])s1	ZINC000016136386	211887140	/nfs/dbraw/zinc/88/71/40/211887140.db2.gz	IBQDRSQACXROAF-UHFFFAOYSA-N	-2	0	338.435	0.413	40	0		ECABRL
COc1cc(/C=C2/NC(=O)[N-]C2=O)cc(Cl)c1OCC(=O)[O-]	ZINC000006421639	436001135	/nfs/dbraw/zinc/00/11/35/436001135.db2.gz	PNBLLTBBZSAFCF-FPYGCLRLSA-N	-2	0	326.692	0.992	40	0		ECABRL
CC1(C)[C@H]2SC(=S)[N-][C@@H]2S[C@@H]2C(=O)N(CC(=O)[O-])C(=O)[C@@H]21	ZINC000100746763	219105871	/nfs/dbraw/zinc/10/58/71/219105871.db2.gz	WEZNZTKGBBGDGM-VGRMVHKJSA-N	-2	0	346.455	0.514	40	0		ECABRL
Cc1[n-]n(-c2ccccc2)c(=O)c1[C@@](C)(C(=O)[O-])S(=O)(=O)[O-]	ZINC000100073029	436546544	/nfs/dbraw/zinc/54/65/44/436546544.db2.gz	QPTXNUZKOOCRLD-GWCFXTLKSA-N	-3	0	326.330	0.756	40	0	in-vitro	ECABRL
O=C(Nc1cccc(C(F)(F)F)c1)C([O-])=C1C(=O)[N-]C(=O)NC1=O	ZINC000001630105	435961845	/nfs/dbraw/zinc/96/18/45/435961845.db2.gz	CCIYJTZCSKZVFG-UHFFFAOYSA-N	-2	0	343.217	0.195	40	0		ECABRL
Cc1ccc(S(=O)(=O)[N-]C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000005794708	435993691	/nfs/dbraw/zinc/99/36/91/435993691.db2.gz	TUZYPEYNCWLACJ-SNVBAGLBSA-N	-3	0	344.345	0.301	40	0		ECABRL
O=C([O-])[C@H]1CC(=O)N(c2cccc(N3C[C@@H](C(=O)[O-])CC3=O)c2)C1	ZINC000045953659	436381187	/nfs/dbraw/zinc/38/11/87/436381187.db2.gz	ZMLQWAVJGOZMHX-UWVGGRQHSA-N	-2	0	332.312	0.562	40	0		ECABRL
O=C([O-])/C=C\C(=O)Nc1cccc(NC(=O)/C=C\C(=O)[O-])c1C(=O)[O-]	ZINC000031628674	304024206	/nfs/dbraw/zinc/02/42/06/304024206.db2.gz	AEFXZQBYWHGBOY-PEPZGXQESA-N	-3	0	348.267	0.543	40	0		ECABRL
O=C([O-])CC[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)[O-]	ZINC000001731769	435962876	/nfs/dbraw/zinc/96/28/76/435962876.db2.gz	FDTUHSFTKCRNSD-NSHDSACASA-N	-2	0	338.316	0.347	40	0		ECABRL
O=C([O-])CCC(=O)NC[C@@H]1CCC[C@@H](CNC(=O)CCC(=O)[O-])C1	ZINC000005600375	304045022	/nfs/dbraw/zinc/04/50/22/304045022.db2.gz	SOQYXUVCSSRWJD-VXGBXAGGSA-N	-2	0	342.392	0.755	40	0		ECABRL
Nc1nc2nc3c(=O)n(-c4ccc(C(=O)[O-])cc4)cc-3[n-]c2c(=O)[nH]1	ZINC000007996467	436019517	/nfs/dbraw/zinc/01/95/17/436019517.db2.gz	HZFWDZURCMFJOM-UHFFFAOYSA-N	-2	0	338.283	0.154	40	0	in-vitro	ECABRL
O=C([O-])/C=C/C(=O)Nc1cccc(NC(=O)/C=C\C(=O)[O-])c1C(=O)[O-]	ZINC000031628676	202207479	/nfs/dbraw/zinc/20/74/79/202207479.db2.gz	AEFXZQBYWHGBOY-XGXWUAJZSA-N	-3	0	348.267	0.543	40	0		ECABRL
O=C([O-])[C@@H](NC(=O)c1cc(=O)[nH]c(=O)[nH]1)c1c[nH]c2ccccc21	ZINC000033380076	202259148	/nfs/dbraw/zinc/25/91/48/202259148.db2.gz	MWTLNZDCCJRGBE-LBPRGKRZSA-N	-2	0	328.284	0.513	40	0		ECABRL
CN(C(=O)OC(C)(C)C)[C@@H]([C@@H](C(=O)[O-])[C@@H](O)C(=O)[O-])C(F)(F)F	ZINC000225805753	436712893	/nfs/dbraw/zinc/71/28/93/436712893.db2.gz	BQLVUPQRAQMJGT-XVMARJQXSA-N	-2	0	345.270	0.931	40	0		ECABRL
CN(C(=O)OC(C)(C)C)[C@H]([C@@H](C(=O)[O-])[C@H](O)C(=O)[O-])C(F)(F)F	ZINC000252479947	436833671	/nfs/dbraw/zinc/83/36/71/436833671.db2.gz	BQLVUPQRAQMJGT-LYFYHCNISA-N	-2	0	345.270	0.931	40	0		ECABRL
CCc1cccc(C(C)C)c1NC(=O)C([O-])=C1C(=O)[N-]C(=O)NC1=O	ZINC000001629834	435960322	/nfs/dbraw/zinc/96/03/22/435960322.db2.gz	WODIOYYWVPMYGJ-UHFFFAOYSA-N	-2	0	345.355	0.862	40	0		ECABRL
CC1(C)[C@@H]2C(=O)N(CC(=O)[O-])C(=O)[C@H]2S[C@H]2[N-]C(=S)S[C@H]21	ZINC000245204329	436760195	/nfs/dbraw/zinc/76/01/95/436760195.db2.gz	WEZNZTKGBBGDGM-RULNZFCNSA-N	-2	0	346.455	0.514	40	0		ECABRL
O=C([O-])/C=C/C(=O)Nc1cccc(NC(=O)/C=C/C(=O)[O-])c1C(=O)[O-]	ZINC000001679105	201516485	/nfs/dbraw/zinc/51/64/85/201516485.db2.gz	AEFXZQBYWHGBOY-YDFGWWAZSA-N	-3	0	348.267	0.543	40	0		ECABRL
O=C([O-])CCNC(=O)NCCCCCCNC(=O)NCCC(=O)[O-]	ZINC000005282300	435986570	/nfs/dbraw/zinc/98/65/70/435986570.db2.gz	IKDJPANGFTWKQO-UHFFFAOYSA-N	-2	0	346.384	0.095	40	0		ECABRL
COC(=O)c1ccc([S-])c(S(=O)(=O)[N-]c2nc(N)n[nH]2)c1	ZINC000001642339	435962627	/nfs/dbraw/zinc/96/26/27/435962627.db2.gz	YDTWPQPIUFAGTC-UHFFFAOYSA-N	-2	0	329.363	0.263	40	0		ECABRL
O=C([O-])CCC(=O)NC[C@@H]1CCC[C@H](CNC(=O)CCC(=O)[O-])C1	ZINC000005600235	435990417	/nfs/dbraw/zinc/99/04/17/435990417.db2.gz	SOQYXUVCSSRWJD-TXEJJXNPSA-N	-2	0	342.392	0.755	40	0		ECABRL
O=C([O-])CC[C@@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)[O-]	ZINC000006575091	436000204	/nfs/dbraw/zinc/00/02/04/436000204.db2.gz	FDTUHSFTKCRNSD-LLVKDONJSA-N	-2	0	338.316	0.347	40	0		ECABRL
O=C([O-])/C=C\C(=O)NCC1CCC(CNC(=O)/C=C\C(=O)[O-])CC1	ZINC000104128085	219349889	/nfs/dbraw/zinc/34/98/89/219349889.db2.gz	NLXZJJUUIBJWKI-SFECMWDFSA-N	-2	0	338.360	0.307	40	0		ECABRL
Cc1[n-]n(-c2ccccc2)c(=O)c1[C@](C)(C(=O)[O-])S(=O)(=O)[O-]	ZINC000100073030	436546650	/nfs/dbraw/zinc/54/66/50/436546650.db2.gz	QPTXNUZKOOCRLD-GXFFZTMASA-N	-3	0	326.330	0.756	40	0	in-vitro	ECABRL
CC1(C)[C@@H]2C(=O)N(CC(=O)[O-])C(=O)[C@@H]2S[C@H]2[N-]C(=S)S[C@H]21	ZINC000245204328	436760167	/nfs/dbraw/zinc/76/01/67/436760167.db2.gz	WEZNZTKGBBGDGM-LXGUWJNJSA-N	-2	0	346.455	0.514	40	0		ECABRL
CN(C(=O)OC(C)(C)C)[C@H]([C@@H](C(=O)[O-])[C@@H](O)C(=O)[O-])C(F)(F)F	ZINC000225805770	257684585	/nfs/dbraw/zinc/68/45/85/257684585.db2.gz	BQLVUPQRAQMJGT-RRKCRQDMSA-N	-2	0	345.270	0.931	40	0		ECABRL
O=C([O-])C[C@H](C(=O)[O-])[C@H](OC(=O)/C=C/c1ccc(O)cc1)C(=O)[O-]	ZINC000514288058	438812823	/nfs/dbraw/zinc/81/28/23/438812823.db2.gz	LRJBKCVWTWKWRX-FHLABYSCSA-N	-3	0	338.268	0.577	40	0	biogenic,in-vitro	ECABRL
O=C([O-])CCC(=O)NC[C@H]1CCC[C@H](CNC(=O)CCC(=O)[O-])C1	ZINC000005600239	304044941	/nfs/dbraw/zinc/04/49/41/304044941.db2.gz	SOQYXUVCSSRWJD-RYUDHWBXSA-N	-2	0	342.392	0.755	40	0		ECABRL
CN(C(=O)OC(C)(C)C)[C@H]([C@H](C(=O)[O-])[C@H](O)C(=O)[O-])C(F)(F)F	ZINC000252479946	436834556	/nfs/dbraw/zinc/83/45/56/436834556.db2.gz	BQLVUPQRAQMJGT-DSYKOEDSSA-N	-2	0	345.270	0.931	40	0		ECABRL
O=C(Nc1ccc(Cl)cc1Cl)C([O-])=C1C(=O)[N-]C(=O)NC1=O	ZINC000001630099	435961607	/nfs/dbraw/zinc/96/16/07/435961607.db2.gz	BHDRXAQXVKOJRL-UHFFFAOYSA-N	-2	0	344.110	0.483	40	0		ECABRL
O=C([O-])/C=C/C(=O)Nc1cc(Cl)nc(NC(=O)/C=C\C(=O)[O-])n1	ZINC000008616675	436029917	/nfs/dbraw/zinc/02/99/17/436029917.db2.gz	INDGSWHXVFQRLS-TZFCGSKZSA-N	-2	0	340.679	0.289	40	0		ECABRL
O=C([O-])c1cc(NC(=O)C[C@@H]2SC(=O)[N-]C2=O)cc(C(=O)[O-])c1	ZINC000016899476	436096807	/nfs/dbraw/zinc/09/68/07/436096807.db2.gz	JXYINNKRAOELDC-QMMMGPOBSA-N	-3	0	338.297	0.763	40	0		ECABRL
O=C([O-])[C@@H]1CC(=O)N(c2cccc(N3C[C@@H](C(=O)[O-])CC3=O)c2)C1	ZINC000045953656	436380560	/nfs/dbraw/zinc/38/05/60/436380560.db2.gz	ZMLQWAVJGOZMHX-AOOOYVTPSA-N	-2	0	332.312	0.562	40	0		ECABRL
Cc1[n-]n(-c2ccccc2)c(=O)c1[C@](C)(C(=O)[O-])S(=O)(=O)[O-]	ZINC000077313141	281701927	/nfs/dbraw/zinc/70/19/27/281701927.db2.gz	QPTXNUZKOOCRLD-ZWNOBZJWSA-N	-3	0	326.330	0.756	40	0	in-vitro	ECABRL
C[C@@H](Cc1ccccc1)NN(CS(=O)(=O)[O-])CS(=O)(=O)[O-]	ZINC000019171016	296006249	/nfs/dbraw/zinc/00/62/49/296006249.db2.gz	MYWFEIUSQKFJPJ-JTQLQIEISA-N	-2	0	338.407	0.115	40	0		ECABRL
O=C(Nc1cc(Cl)ccc1Cl)C([O-])=C1C(=O)[N-]C(=O)NC1=O	ZINC000001630097	435961705	/nfs/dbraw/zinc/96/17/05/435961705.db2.gz	HXGLKNKJJJLXJN-UHFFFAOYSA-N	-2	0	344.110	0.483	40	0		ECABRL
C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000001606187	435961623	/nfs/dbraw/zinc/96/16/23/435961623.db2.gz	ZEMLEJZWLPVYOC-KOLCDFICSA-N	-2	0	338.316	0.345	40	0		ECABRL
O=C([O-])Cn1cc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)c2ccccc21	ZINC000408593750	438582268	/nfs/dbraw/zinc/58/22/68/438582268.db2.gz	REJBWWULSPABJU-VZUCSPMQSA-N	-2	0	343.295	0.703	40	0		ECABRL
O=C([O-])c1ccc(C(=O)[O-])c(NC(=O)C[C@H]2SC(=O)[N-]C2=O)c1	ZINC000016905456	436098448	/nfs/dbraw/zinc/09/84/48/436098448.db2.gz	RYYMKIWAKQSNPG-MRVPVSSYSA-N	-3	0	338.297	0.763	40	0		ECABRL
O=C([O-])C/C=C\C[C@@H]1[C@@H](CCC(=O)CCC(=O)[O-])[C@@H](O)C[C@@H]1O	ZINC000077312311	216869280	/nfs/dbraw/zinc/86/92/80/216869280.db2.gz	XSGSZQDCVYMZGQ-YQQXMBKZSA-N	-2	0	328.361	0.979	40	0	in-vitro	ECABRL
CN(CC(=O)[O-])C(=O)Nc1ccc(NC(=O)N(C)CC(=O)[O-])cc1	ZINC000005525243	435988225	/nfs/dbraw/zinc/98/82/25/435988225.db2.gz	WFABXXSOSXDTDJ-UHFFFAOYSA-N	-2	0	338.320	0.783	40	0		ECABRL
O=C([O-])/C=C/C(=O)NCC1CCC(CNC(=O)/C=C\C(=O)[O-])CC1	ZINC000104128088	219349992	/nfs/dbraw/zinc/34/99/92/219349992.db2.gz	NLXZJJUUIBJWKI-CGXWXWIYSA-N	-2	0	338.360	0.307	40	0		ECABRL
O=C([O-])/C=C/C(=O)Nc1nc(Cl)cc(NC(=O)/C=C\C(=O)[O-])n1	ZINC000104369390	219380095	/nfs/dbraw/zinc/38/00/95/219380095.db2.gz	INDGSWHXVFQRLS-HSFFGMMNSA-N	-2	0	340.679	0.289	40	0		ECABRL
O=C([O-])/C=C\C(=O)Nc1cc(Cl)nc(NC(=O)/C=C\C(=O)[O-])n1	ZINC000104369386	304023959	/nfs/dbraw/zinc/02/39/59/304023959.db2.gz	INDGSWHXVFQRLS-CCAGOZQPSA-N	-2	0	340.679	0.289	40	0		ECABRL
O=C([O-])C[C@@H](C(=O)[O-])[C@@H](OC(=O)/C=C/c1ccc(O)cc1)C(=O)[O-]	ZINC000013536432	257845228	/nfs/dbraw/zinc/84/52/28/257845228.db2.gz	LRJBKCVWTWKWRX-UBYARMNVSA-N	-3	0	338.268	0.577	40	0	biogenic,in-vitro	ECABRL
CC1(C)[C@H]2SC(=S)[N-][C@@H]2S[C@H]2C(=O)N(CC(=O)[O-])C(=O)[C@@H]21	ZINC000100746766	436547581	/nfs/dbraw/zinc/54/75/81/436547581.db2.gz	WEZNZTKGBBGDGM-OOJXKGFFSA-N	-2	0	346.455	0.514	40	0		ECABRL