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-])CCc1ccccc1-c1ccccc1C(=O)[O-]	ZINC000001721300	169750361	/nfs/dbraw/zinc/75/03/61/169750361.db2.gz	IOYGEXLEEGGDRS-UHFFFAOYSA-N	-2	0	270.284	3.069	40	0		CGABRL
O=C([O-])c1cccc(C(=O)[O-])c1Sc1ccccc1	ZINC000001559273	304258518	/nfs/dbraw/zinc/25/85/18/304258518.db2.gz	ZFJOOERBHLQUTB-UHFFFAOYSA-N	-2	0	274.297	3.234	40	0		CGABRL
C[C@H](SC(=S)[N-]c1ccc(Cl)cc1)C(=O)[O-]	ZINC000005641259	170123643	/nfs/dbraw/zinc/12/36/43/170123643.db2.gz	NYQMPMXMLPNTBI-LURJTMIESA-N	-2	0	275.782	3.243	40	0		CGABRL
O=C([O-])c1ccc2c(c1)Sc1cc(C(=O)[O-])ccc1O2	ZINC000059948486	345210201	/nfs/dbraw/zinc/21/02/01/345210201.db2.gz	BRXPROMQNRKVQC-UHFFFAOYSA-N	-2	0	288.280	3.340	40	0		CGABRL
O=C([O-])c1ccc(CSc2ccccc2C(=O)[O-])cc1	ZINC000001624336	368425373	/nfs/dbraw/zinc/42/53/73/368425373.db2.gz	FEKNYEGSTITPAI-UHFFFAOYSA-N	-2	0	288.324	3.375	40	0		CGABRL
O=C([O-])/C=C/c1ccc(-c2cc(C(=O)[O-])ccc2Cl)o1	ZINC000083327891	260302571	/nfs/dbraw/zinc/30/25/71/260302571.db2.gz	OPIASTIIXANASY-ZZXKWVIFSA-N	-2	0	292.674	3.396	40	0		CGABRL
O=C([O-])/C=C/c1ccc(-c2ccc(Cl)c(C(=O)[O-])c2)o1	ZINC000216910344	266097869	/nfs/dbraw/zinc/09/78/69/266097869.db2.gz	JNBMSBYHJRUMCZ-ZZXKWVIFSA-N	-2	0	292.674	3.396	40	0		CGABRL
CC(C)(C(=O)[O-])[C@@H]1CC[C@]2(C)CCC[C@@]1(C(=O)[O-])C2	ZINC000006003107	170166978	/nfs/dbraw/zinc/16/69/78/170166978.db2.gz	BFBKEWXZMZQHBN-NZVBXONLSA-N	-2	0	268.353	3.159	40	0		CGABRL
CCCCCCOc1ccc([C@@H](CC(=O)[O-])C(=O)[O-])cc1	ZINC000003153028	368493895	/nfs/dbraw/zinc/49/38/95/368493895.db2.gz	QPWICQIDYHGDNJ-CQSZACIVSA-N	-2	0	294.347	3.289	40	0		CGABRL
O=C([O-])c1ccc2nc(-c3ccccc3C(=O)[O-])sc2c1	ZINC000073740514	369865808	/nfs/dbraw/zinc/86/58/08/369865808.db2.gz	XDDVUTCQELHXFI-UHFFFAOYSA-N	-2	0	299.307	3.360	40	0		CGABRL
Cc1ccc(-c2ccc(C)cc2C(=O)[O-])c(C(=O)[O-])c1	ZINC000001689984	301467196	/nfs/dbraw/zinc/46/71/96/301467196.db2.gz	JURAOGMOBVQPBP-UHFFFAOYSA-N	-2	0	270.284	3.367	40	0		CGABRL
C[C@H](Cc1cccc2ccccc21)C(C)(C(=O)[O-])C(=O)[O-]	ZINC000001593358	368422156	/nfs/dbraw/zinc/42/21/56/368422156.db2.gz	IVFDFUPKJFORCS-LLVKDONJSA-N	-2	0	286.327	3.194	40	0		CGABRL
CCC12CC3C[C@@](CC(=O)[O-])(C1)C[C@](CC(=O)[O-])(C3)C2	ZINC000004474422	368547246	/nfs/dbraw/zinc/54/72/46/368547246.db2.gz	CXDOULXPKQTMBE-PGZFBYSNSA-N	-2	0	280.364	3.303	40	0		CGABRL
O=C([O-])c1cccc2c1C1CCC2c2cccc(C(=O)[O-])c21	ZINC000001557066	304265837	/nfs/dbraw/zinc/26/58/37/304265837.db2.gz	JYACZJOMRIGIRE-UHFFFAOYSA-N	-2	0	294.306	3.454	40	0		CGABRL
C/C(=C\CC(F)(F)C(F)(F)C/C=C(\C)C(=O)[O-])C(=O)[O-]	ZINC000064220298	369651987	/nfs/dbraw/zinc/65/19/87/369651987.db2.gz	NOKQANWJPNWNRO-FCXRPNKRSA-N	-2	0	298.232	3.099	40	0		CGABRL
CC1(C)CC(C)(C)c2c1cc(C(=O)[O-])cc2C(=O)[O-]	ZINC000096171786	370206914	/nfs/dbraw/zinc/20/69/14/370206914.db2.gz	LZWRJVQGHDKLKR-UHFFFAOYSA-N	-2	0	262.305	3.042	40	0		CGABRL
C[C@@H](SC(=S)[N-]c1ccc(Cl)cc1)C(=O)[O-]	ZINC000002035296	368444620	/nfs/dbraw/zinc/44/46/20/368444620.db2.gz	NYQMPMXMLPNTBI-ZCFIWIBFSA-N	-2	0	275.782	3.243	40	0		CGABRL
O=C([O-])c1ccccc1C[C@H](CCc1ccccc1)C(=O)[O-]	ZINC000001589759	304269277	/nfs/dbraw/zinc/26/92/77/304269277.db2.gz	JGLZLLUGGLSKIZ-HNNXBMFYSA-N	-2	0	298.338	3.261	40	0		CGABRL
O=C([O-])c1ccccc1C[C@@H](CCc1ccccc1)C(=O)[O-]	ZINC000002046192	368444481	/nfs/dbraw/zinc/44/44/81/368444481.db2.gz	JGLZLLUGGLSKIZ-OAHLLOKOSA-N	-2	0	298.338	3.261	40	0		CGABRL
O=C([O-])c1ccccc1/C=C/c1ccccc1C(=O)[O-]	ZINC000003845505	368520698	/nfs/dbraw/zinc/52/06/98/368520698.db2.gz	AFGNGVLIGDCOBO-MDZDMXLPSA-N	-2	0	268.268	3.253	40	0		CGABRL
O=C([O-])c1cc(=O)n(-c2ccccc2Oc2ccccc2)[n-]1	ZINC000217711511	376179223	/nfs/dbraw/zinc/17/92/23/376179223.db2.gz	ZCPMFEWHZFDWOR-UHFFFAOYSA-N	-2	0	296.282	3.068	40	0		CGABRL
O=C([O-])c1ccccc1C(=O)c1cc2ccccc2cc1[O-]	ZINC000223813964	376262413	/nfs/dbraw/zinc/26/24/13/376262413.db2.gz	BKUROHMZQJXSEB-UHFFFAOYSA-N	-2	0	292.290	3.475	40	0		CGABRL
O=C([O-])c1ccc2nc(-c3cccc(C(=O)[O-])c3)sc2c1	ZINC000073740506	304254598	/nfs/dbraw/zinc/25/45/98/304254598.db2.gz	XKYSSDCAIAXEGK-UHFFFAOYSA-N	-2	0	299.307	3.360	40	0		CGABRL
CCn1c2ccc(C(=O)[O-])cc2c2cc(C(=O)[O-])ccc21	ZINC000005328019	368562257	/nfs/dbraw/zinc/56/22/57/368562257.db2.gz	MYFXCPANJUZOOT-UHFFFAOYSA-N	-2	0	283.283	3.211	40	0		CGABRL
COc1ccc(C([O-])=CC(=O)C=C([O-])c2ccccc2)cc1	ZINC000100286444	370275818	/nfs/dbraw/zinc/27/58/18/370275818.db2.gz	LNAFUYNMMGWAEX-UHFFFAOYSA-N	-2	0	296.322	3.110	40	0		CGABRL
O=C([O-])[C@@H]1[C@H]2CCCC[C@H]2[C@@H]2CCCC[C@@H]2[C@@H]1C(=O)[O-]	ZINC000045070994	260649387	/nfs/dbraw/zinc/64/93/87/260649387.db2.gz	VQJKDKUTKJJQSH-LQSBQDLSSA-N	-2	0	280.364	3.014	40	0		CGABRL
O=C([O-])C[C@@H](C(=O)[O-])/C(=C\c1ccccc1)c1ccccc1	ZINC000001722278	368436160	/nfs/dbraw/zinc/43/61/60/368436160.db2.gz	SOYUNMRDYHREQN-UVQBRAAOSA-N	-2	0	296.322	3.403	40	0		CGABRL
O=C([O-])c1cc2sc(-c3ccccc3)nc2c(C(=O)[O-])c1	ZINC000073635636	304230265	/nfs/dbraw/zinc/23/02/65/304230265.db2.gz	BZLSRWBATNRXBG-UHFFFAOYSA-N	-2	0	299.307	3.360	40	0		CGABRL
O=C([O-])C[C@@H](C(=O)[O-])[C@H](Cc1ccccc1)c1ccccc1	ZINC000001600684	304073242	/nfs/dbraw/zinc/07/32/42/304073242.db2.gz	ZUMMDNBGZKMIMO-HZPDHXFCSA-N	-2	0	298.338	3.188	40	0		CGABRL
O=C([O-])c1cc(=O)n(-c2ccc(Oc3ccccc3)cc2)[n-]1	ZINC000217704265	189711428	/nfs/dbraw/zinc/71/14/28/189711428.db2.gz	HDXMWTALKGCWQZ-UHFFFAOYSA-N	-2	0	296.282	3.068	40	0		CGABRL
O=S(=O)(c1cccc([S-])c1)c1cccc([S-])c1	ZINC000197215979	346277085	/nfs/dbraw/zinc/27/70/85/346277085.db2.gz	VOBJZWASPWHQBF-UHFFFAOYSA-N	-2	0	282.411	3.097	40	0		CGABRL
O=C([O-])C[C@H](C(=O)[O-])[C@@H](Cc1ccccc1)c1ccccc1	ZINC000001600685	304081247	/nfs/dbraw/zinc/08/12/47/304081247.db2.gz	ZUMMDNBGZKMIMO-HOTGVXAUSA-N	-2	0	298.338	3.188	40	0		CGABRL
Cc1cc2c(cc1C)c(C(=O)[O-])c(C)c(C)c2C(=O)[O-]	ZINC000015442601	368696062	/nfs/dbraw/zinc/69/60/62/368696062.db2.gz	OAAOTXWEJJTSPN-UHFFFAOYSA-N	-2	0	272.300	3.470	40	0		CGABRL
CCC(CCCCCc1ccccc1)(C(=O)[O-])C(=O)[O-]	ZINC000001746961	282307106	/nfs/dbraw/zinc/30/71/06/282307106.db2.gz	UTTHKIPXOSGHQY-UHFFFAOYSA-N	-2	0	278.348	3.355	40	0		CGABRL
O=C([O-])CCCCC1CCC(C(=O)CCCC(=O)[O-])CC1	ZINC000004783224	170016170	/nfs/dbraw/zinc/01/61/70/170016170.db2.gz	BUOCRTBVVCIDHR-UHFFFAOYSA-N	-2	0	298.379	3.262	40	0		CGABRL
C[C@@H](Cc1cccc2ccccc21)C(C)(C(=O)[O-])C(=O)[O-]	ZINC000006437281	170201517	/nfs/dbraw/zinc/20/15/17/170201517.db2.gz	IVFDFUPKJFORCS-NSHDSACASA-N	-2	0	286.327	3.194	40	0		CGABRL
Cc1c(-c2ccccc2)nc(Cl)c(C(=O)[O-])c1C(=O)[O-]	ZINC000085409240	300905675	/nfs/dbraw/zinc/90/56/75/300905675.db2.gz	SUZJYFBYDITGJV-UHFFFAOYSA-N	-2	0	291.690	3.107	40	0		CGABRL
Cc1cccc(C(=O)[O-])c1-c1c(C)cccc1C(=O)[O-]	ZINC000001713131	368434047	/nfs/dbraw/zinc/43/40/47/368434047.db2.gz	HCUHAHONSFXZMF-UHFFFAOYSA-N	-2	0	270.284	3.367	40	0		CGABRL
O=C([O-])C[C@H](C(=O)[O-])/C(=C/c1ccccc1)c1ccccc1	ZINC000001722279	304081177	/nfs/dbraw/zinc/08/11/77/304081177.db2.gz	SOYUNMRDYHREQN-SFKKXYGYSA-N	-2	0	296.322	3.403	40	0		CGABRL
O=C([O-])C[C@@H](C(=O)[O-])/C(=C/c1ccccc1)c1ccccc1	ZINC000001722277	304073238	/nfs/dbraw/zinc/07/32/38/304073238.db2.gz	SOYUNMRDYHREQN-RBFDBLARSA-N	-2	0	296.322	3.403	40	0		CGABRL
O=C([O-])[C@@H]1[C@@H]2CCCC[C@H]2[C@@H]2CCCC[C@@H]2[C@@H]1C(=O)[O-]	ZINC000045070992	369275124	/nfs/dbraw/zinc/27/51/24/369275124.db2.gz	VQJKDKUTKJJQSH-ARFNZGECSA-N	-2	0	280.364	3.014	40	0		CGABRL
O=C([O-])[C@@H]1CC[C@@](C(=O)[O-])(c2ccccc2)c2ccccc21	ZINC000004081369	304126637	/nfs/dbraw/zinc/12/66/37/304126637.db2.gz	LRUSLZFPYBAMCI-RDTXWAMCSA-N	-2	0	296.322	3.019	40	0	biogenic	CGABRL
Cc1oc2cc3c(cc2c1C(=O)[O-])oc(C)c3C(=O)[O-]	ZINC000004459363	368546220	/nfs/dbraw/zinc/54/62/20/368546220.db2.gz	CJDTVCZYNIQORD-UHFFFAOYSA-N	-2	0	274.228	3.192	40	0		CGABRL
O=C([O-])C[C@H](C(=O)[O-])[C@H](Cc1ccccc1)c1ccccc1	ZINC000001600686	304081476	/nfs/dbraw/zinc/08/14/76/304081476.db2.gz	ZUMMDNBGZKMIMO-CVEARBPZSA-N	-2	0	298.338	3.188	40	0		CGABRL
O=C([O-])C(CCc1ccccc1)(Cc1ccccc1)C(=O)[O-]	ZINC000001718236	169749542	/nfs/dbraw/zinc/74/95/42/169749542.db2.gz	XYBNDXXYFHIXKH-UHFFFAOYSA-N	-2	0	298.338	3.018	40	0		CGABRL
O=C([O-])[C@@H]1[C@H]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2[C@@H]1C(=O)[O-]	ZINC000045070997	304160734	/nfs/dbraw/zinc/16/07/34/304160734.db2.gz	VQJKDKUTKJJQSH-WHCZJHEKSA-N	-2	0	280.364	3.014	40	0		CGABRL
O=C([O-])CCCCc1ccc(CCCCC(=O)[O-])cc1	ZINC000001583291	368420395	/nfs/dbraw/zinc/42/03/95/368420395.db2.gz	WWKYNUZUGJVIAO-UHFFFAOYSA-N	-2	0	278.348	3.281	40	0		CGABRL
O=C([O-])c1ccc(-c2nc3ccc(C(=O)[O-])cc3s2)cc1	ZINC000073740491	304230665	/nfs/dbraw/zinc/23/06/65/304230665.db2.gz	NSJLPMCOEZPSOA-UHFFFAOYSA-N	-2	0	299.307	3.360	40	0		CGABRL
O=C([O-])CC(CC(=O)[O-])C(c1ccccc1)c1ccccc1	ZINC000001689896	368431494	/nfs/dbraw/zinc/43/14/94/368431494.db2.gz	NRPZCMFGRAUPMN-UHFFFAOYSA-N	-2	0	298.338	3.384	40	0		CGABRL
Cc1ccc(Oc2cccc(C(=O)[O-])c2C(=O)[O-])cc1	ZINC000021984808	368809541	/nfs/dbraw/zinc/80/95/41/368809541.db2.gz	MASDIQOFNICMGE-UHFFFAOYSA-N	-2	0	272.256	3.184	40	0		CGABRL
CC(C)(C(=O)[O-])[C@@H]1CC[C@@]2(C)CCC[C@]1(C(=O)[O-])C2	ZINC000001854936	368440774	/nfs/dbraw/zinc/44/07/74/368440774.db2.gz	BFBKEWXZMZQHBN-VQISRLSMSA-N	-2	0	268.353	3.159	40	0		CGABRL
O=C([O-])c1cc2ccccc2n1-c1ccccc1C(=O)[O-]	ZINC000261828449	304229513	/nfs/dbraw/zinc/22/95/13/304229513.db2.gz	OOTXDVZRECPKEX-UHFFFAOYSA-N	-2	0	281.267	3.027	40	0		CGABRL
CCCCCCOc1ccc([C@H](CC(=O)[O-])C(=O)[O-])cc1	ZINC000003153029	368493290	/nfs/dbraw/zinc/49/32/90/368493290.db2.gz	QPWICQIDYHGDNJ-AWEZNQCLSA-N	-2	0	294.347	3.289	40	0		CGABRL
O=C([O-])C[C@@H](C(=O)[O-])[C@@H](Cc1ccccc1)c1ccccc1	ZINC000001600683	368422433	/nfs/dbraw/zinc/42/24/33/368422433.db2.gz	ZUMMDNBGZKMIMO-JKSUJKDBSA-N	-2	0	298.338	3.188	40	0		CGABRL
CC(C)(CC(=O)[O-])c1cc(Cl)c([O-])c(Cl)c1	ZINC000085398512	179050695	/nfs/dbraw/zinc/05/06/95/179050695.db2.gz	XNTWMOGQXPIFNQ-UHFFFAOYSA-N	-2	0	263.120	3.451	40	0		CGABRL
O=C([O-])C[C@H](C(=O)[O-])/C(=C\c1ccccc1)c1ccccc1	ZINC000001722280	169750522	/nfs/dbraw/zinc/75/05/22/169750522.db2.gz	SOYUNMRDYHREQN-QZFKAFNDSA-N	-2	0	296.322	3.403	40	0		CGABRL
O=C([O-])CCCCCCC(=O)CCCCCCC(=O)[O-]	ZINC000026897400	368864791	/nfs/dbraw/zinc/86/47/91/368864791.db2.gz	YNMWWBKOPMQMQM-UHFFFAOYSA-N	-2	0	286.368	3.406	40	0		CGABRL
O=C([O-])c1cccc(/C=C\c2cccc(C(=O)[O-])c2)c1	ZINC000005226699	304255391	/nfs/dbraw/zinc/25/53/91/304255391.db2.gz	ATCSGDJWJHCRLV-FPLPWBNLSA-N	-2	0	268.268	3.253	40	0		CGABRL
CC(C)(c1ccc(C(=O)[O-])cc1)c1ccc(C(=O)[O-])cc1	ZINC000001594026	169721550	/nfs/dbraw/zinc/72/15/50/169721550.db2.gz	XKACUVXWRVMXOE-UHFFFAOYSA-N	-2	0	284.311	3.409	40	0		CGABRL