smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc([O-])c(C(=O)c2ccccc2C)c([O-])c1	ZINC000096319156	178195088	/nfs/dbraw/zinc/19/50/88/178195088.db2.gz	YQMBGZHMGROJMA-UHFFFAOYSA-N	-2	3	242.274	2.946	50	0		BFAAHL
O=C(C=C([O-])c1cccs1)c1ccccc1[O-]	ZINC000100348396	387471407	/nfs/dbraw/zinc/47/14/07/387471407.db2.gz	AALNULCSZRFAMN-UHFFFAOYSA-N	-2	3	246.287	2.909	50	0		BFAAHL
Cc1ccccc1C(=O)c1ccc([O-])cc1[O-]	ZINC000000232085	179253583	/nfs/dbraw/zinc/25/35/83/179253583.db2.gz	HJPCUVKFCLZYFR-UHFFFAOYSA-N	-2	3	228.247	2.637	50	0	biogenic	BFAAHL
Cc1ccc([O-])c(C(=O)C=C([O-])c2ccco2)c1	ZINC000100142892	384619740	/nfs/dbraw/zinc/61/97/40/384619740.db2.gz	AMIGZFMVJSRNEU-UHFFFAOYSA-N	-2	3	244.246	2.749	50	0		BFAAHL
O=C([O-])/C=C/c1ccc(C(F)(F)F)c([O-])c1	ZINC000299805488	635891989	/nfs/dbraw/zinc/89/19/89/635891989.db2.gz	QBERWMHZJGIPRH-DUXPYHPUSA-N	-2	3	232.157	2.509	50	0		BFAAHL
CCOc1cc(/C=C/C(=O)[O-])cc(Cl)c1[O-]	ZINC000003336029	342732663	/nfs/dbraw/zinc/73/26/63/342732663.db2.gz	HFFUHTSAEWCRBF-ONEGZZNKSA-N	-2	3	242.658	2.542	50	0		BFAAHL
Cc1ccc(C(=O)c2ccc([O-])cc2[O-])cc1	ZINC000000345841	345827948	/nfs/dbraw/zinc/82/79/48/345827948.db2.gz	FGCATPMSNCVLQK-UHFFFAOYSA-N	-2	3	228.247	2.637	50	0		BFAAHL
CC(C)C(=O)c1ccc([O-])c(C(F)(F)F)c1[O-]	ZINC000076914461	388671502	/nfs/dbraw/zinc/67/15/02/388671502.db2.gz	NYFNJYJWOHQAMU-UHFFFAOYSA-N	-2	3	248.200	2.955	50	0		BFAAHL
O=P([O-])([O-])Cc1c(Cl)cccc1Cl	ZINC000002178963	383957208	/nfs/dbraw/zinc/95/72/08/383957208.db2.gz	CPPHQOFUDIOVLN-UHFFFAOYSA-N	-2	3	241.010	2.671	50	0		BFAAHL
CCc1c([O-])n(-c2ccccc2)c(=S)[n-]c1=O	ZINC000018227439	385035943	/nfs/dbraw/zinc/03/59/43/385035943.db2.gz	BUIAADVWUHKTNX-UHFFFAOYSA-N	-2	3	248.307	2.575	50	0		BFAAHL
CCCc1c([O-])ccc(C(=O)C(F)(F)F)c1[O-]	ZINC000034310112	343268130	/nfs/dbraw/zinc/26/81/30/343268130.db2.gz	FNUWZRSFCFUFFU-UHFFFAOYSA-N	-2	3	248.200	2.795	50	0		BFAAHL
O=C([O-])c1ccccc1-c1ccccc1/C=N/[O-]	ZINC000000437742	343269945	/nfs/dbraw/zinc/26/99/45/343269945.db2.gz	KNHYITNFWPDHPS-OQLLNIDSSA-N	-2	3	241.246	2.860	50	0		BFAAHL
Cc1cccc(C)c1C(=O)c1ccc([O-])cc1[O-]	ZINC000000345842	179033267	/nfs/dbraw/zinc/03/32/67/179033267.db2.gz	GBVRBZOBLBOKTH-UHFFFAOYSA-N	-2	3	242.274	2.946	50	0		BFAAHL
CC(=O)c1c([O-])c(Cl)cc(Cl)c1[O-]	ZINC000034320106	385279601	/nfs/dbraw/zinc/27/96/01/385279601.db2.gz	JPBMVUZFDSULAA-UHFFFAOYSA-N	-2	3	221.039	2.607	50	0		BFAAHL
O=C(C=C([O-])c1ccccc1)c1ccccc1[O-]	ZINC000017991503	388097775	/nfs/dbraw/zinc/09/77/75/388097775.db2.gz	OABFIJGAEVKMJP-UHFFFAOYSA-N	-2	3	240.258	2.848	50	0	biogenic	BFAAHL
O=C(c1ccc(Cl)cc1)c1ccc([O-])cc1[O-]	ZINC000032150500	343230043	/nfs/dbraw/zinc/23/00/43/343230043.db2.gz	OKCRKLJFFOUPLM-UHFFFAOYSA-N	-2	3	248.665	2.982	50	0		BFAAHL
O=C([O-])c1ccc(-c2ccc(F)cc2[O-])c(O)c1	ZINC000065350194	385301413	/nfs/dbraw/zinc/30/14/13/385301413.db2.gz	NTWLLIMQLCBEPS-UHFFFAOYSA-N	-2	3	248.209	2.602	50	0		BFAAHL
O=C([O-])/C=C\c1ccc(C(F)(F)F)c([O-])c1	ZINC000380513388	386130419	/nfs/dbraw/zinc/13/04/19/386130419.db2.gz	QBERWMHZJGIPRH-RQOWECAXSA-N	-2	3	232.157	2.509	50	0		BFAAHL
CCOc1cc(/C=C\C(=O)[O-])cc(Cl)c1[O-]	ZINC000006489280	359477739	/nfs/dbraw/zinc/47/77/39/359477739.db2.gz	HFFUHTSAEWCRBF-ARJAWSKDSA-N	-2	3	242.658	2.542	50	0		BFAAHL
O=C([O-])c1cc(-c2cc([O-])cc(F)c2)cs1	ZINC000065340954	182549145	/nfs/dbraw/zinc/54/91/45/182549145.db2.gz	UUTMQRCQJZKQLM-UHFFFAOYSA-N	-2	3	238.239	2.958	50	0		BFAAHL
O=P([O-])([O-])Cc1cccc2ccccc21	ZINC000001719111	383931834	/nfs/dbraw/zinc/93/18/34/383931834.db2.gz	LYGCMUNBGIOQAB-UHFFFAOYSA-N	-2	3	222.180	2.518	50	0		BFAAHL
O=P([O-])([O-])Cc1ccc2ccccc2c1	ZINC000026977583	388095055	/nfs/dbraw/zinc/09/50/55/388095055.db2.gz	HELZKSLXGDCKJK-UHFFFAOYSA-N	-2	3	222.180	2.518	50	0		BFAAHL
O=C([O-])c1ccc(-c2ccc([O-])c(F)c2)cc1	ZINC000000362990	342684920	/nfs/dbraw/zinc/68/49/20/342684920.db2.gz	WHAOIFHFUMILMM-UHFFFAOYSA-N	-2	3	232.210	2.897	50	0		BFAAHL
Cc1ccc(C(=O)C=C([O-])c2ccco2)c([O-])c1	ZINC000100142888	188149591	/nfs/dbraw/zinc/14/95/91/188149591.db2.gz	CLCWHQRLCMKVKI-UHFFFAOYSA-N	-2	3	244.246	2.749	50	0		BFAAHL
CCCCc1cc(=O)oc2cc([O-])cc([O-])c12	ZINC000006359915	169018598	/nfs/dbraw/zinc/01/85/98/169018598.db2.gz	MLSSEIYJTVDKTK-UHFFFAOYSA-N	-2	3	234.251	2.547	50	0	biogenic	BFAAHL
C=C(c1cccc2ccccc21)P(=O)([O-])[O-]	ZINC000002323775	398284514	/nfs/dbraw/zinc/28/45/14/398284514.db2.gz	ZDNBHAWXBDXUSP-UHFFFAOYSA-N	-2	3	234.191	2.988	50	0		BFAAHL
O=C([O-])c1cccc(/N=C/c2cccc([O-])c2)c1	ZINC000000571052	347033286	/nfs/dbraw/zinc/03/32/86/347033286.db2.gz	MYCZGNIIZMLLFV-OQLLNIDSSA-N	-2	3	241.246	2.841	50	0		BFAAHL
O=P([O-])([O-])Cc1ccc(Cl)cc1Cl	ZINC000002178967	383956744	/nfs/dbraw/zinc/95/67/44/383956744.db2.gz	WQLKAHBHPFUKOJ-UHFFFAOYSA-N	-2	3	241.010	2.671	50	0		BFAAHL