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)c1cc2c(cc1[O-])[C@]1(C)CCCC(C)(C)[C@H]1CC2=O	ZINC000001711822	571681737	/nfs/dbraw/zinc/68/17/37/571681737.db2.gz	IPEHJNRNYPOFII-QUCCMNQESA-N	-1	3	300.442	5.186	10	0	endogenous,in-man	DKAEHM
CC(C)c1cc2c(cc1[O-])[C@]1(C)CCCC(C)(C)[C@@H]1CC2=O	ZINC000001711823	571681767	/nfs/dbraw/zinc/68/17/67/571681767.db2.gz	IPEHJNRNYPOFII-ICSRJNTNSA-N	-1	3	300.442	5.186	10	0	endogenous,in-man	DKAEHM
CC(C)c1cc2c(cc1[O-])[C@@]1(C)CCCC(C)(C)[C@H]1CC2=O	ZINC000001711824	571681805	/nfs/dbraw/zinc/68/18/05/571681805.db2.gz	IPEHJNRNYPOFII-UYAOXDASSA-N	-1	3	300.442	5.186	10	0	endogenous,in-man	DKAEHM
[O-]c1ccc(-c2c(Cl)cc(Cl)cc2Cl)c(Cl)c1	ZINC000002598148	560188328	/nfs/dbraw/zinc/18/83/28/560188328.db2.gz	QNOGRXAVIRHWCY-UHFFFAOYSA-N	-1	3	307.991	5.673	10	0	in-vitro	DKAEHM
[O-]c1ccc(/C=C/c2nc3c(ccc4ccccc34)s2)cc1	ZINC000005129982	181207505	/nfs/dbraw/zinc/20/75/05/181207505.db2.gz	QBKZMHUXYBAGFC-KPKJPENVSA-N	-1	3	303.386	5.326	10	0		DKAEHM
Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[n-]c3=S)cc1	ZINC000032500103	525905086	/nfs/dbraw/zinc/90/50/86/525905086.db2.gz	DHRWSADHMMDCAL-UHFFFAOYSA-N	-1	3	317.417	5.059	10	0		DKAEHM
[O-]c1cc(Cl)cc(-c2ccccc2OCc2ccccc2)c1	ZINC000065343658	184325529	/nfs/dbraw/zinc/32/55/29/184325529.db2.gz	FHGJRADNHFQSRF-UHFFFAOYSA-N	-1	3	310.780	5.292	10	0		DKAEHM
[O-]c1cc(Cl)cc(-c2cccc(OCc3ccccc3)c2)c1	ZINC000065343663	184325632	/nfs/dbraw/zinc/32/56/32/184325632.db2.gz	ZDECBPIIEGCREG-UHFFFAOYSA-N	-1	3	310.780	5.292	10	0		DKAEHM
[O-]c1cc(Cl)cc(-c2ccc(OCc3ccccc3)cc2)c1	ZINC000065343669	184325404	/nfs/dbraw/zinc/32/54/04/184325404.db2.gz	ZYRVRPQZYGFOAZ-UHFFFAOYSA-N	-1	3	310.780	5.292	10	0		DKAEHM
CC(C)(C)OC(=O)Nc1cccc(-c2cc([O-])cc(Cl)c2)c1	ZINC000065343693	184325612	/nfs/dbraw/zinc/32/56/12/184325612.db2.gz	XVUAMVLASMEPME-UHFFFAOYSA-N	-1	3	319.788	5.060	10	0		DKAEHM
[O-]c1cc(Br)cc(-c2cccc(Cl)c2Cl)c1	ZINC000065343908	184326033	/nfs/dbraw/zinc/32/60/33/184326033.db2.gz	PTQIQDBXERZXDQ-UHFFFAOYSA-N	-1	3	317.997	5.129	10	0		DKAEHM
[O-]c1cc(Br)cc(-c2ccc(Cl)cc2Cl)c1	ZINC000065343909	184326088	/nfs/dbraw/zinc/32/60/88/184326088.db2.gz	KEDPNDQMVZLXSM-UHFFFAOYSA-N	-1	3	317.997	5.129	10	0		DKAEHM
[O-]c1cc(Br)cc(-c2cc(Cl)ccc2Cl)c1	ZINC000065343911	184326304	/nfs/dbraw/zinc/32/63/04/184326304.db2.gz	PVROTMRGZIPWRP-UHFFFAOYSA-N	-1	3	317.997	5.129	10	0		DKAEHM
[O-]c1cc(Br)cc(-c2ccc(Cl)c(Cl)c2)c1	ZINC000065343912	184326155	/nfs/dbraw/zinc/32/61/55/184326155.db2.gz	LGNJFLVTVNHCTB-UHFFFAOYSA-N	-1	3	317.997	5.129	10	0		DKAEHM
[O-]c1cc(Br)cc(-c2cc(Cl)cc(Cl)c2)c1	ZINC000065343914	184326319	/nfs/dbraw/zinc/32/63/19/184326319.db2.gz	JTYBHZMUEYIWOS-UHFFFAOYSA-N	-1	3	317.997	5.129	10	0		DKAEHM
[O-]c1cc(-c2ccccc2C(F)(F)F)cc(C(F)(F)F)c1	ZINC000065344317	184326129	/nfs/dbraw/zinc/32/61/29/184326129.db2.gz	FNIHLWFRRBCLKL-UHFFFAOYSA-N	-1	3	306.205	5.097	10	0		DKAEHM
[O-]c1cc(-c2cccc(C(F)(F)F)c2)cc(C(F)(F)F)c1	ZINC000065344321	184325930	/nfs/dbraw/zinc/32/59/30/184325930.db2.gz	FFRXYLYCBAMGLF-UHFFFAOYSA-N	-1	3	306.205	5.097	10	0		DKAEHM
[O-]c1cc(-c2ccc(C(F)(F)F)cc2)cc(C(F)(F)F)c1	ZINC000065344324	184326228	/nfs/dbraw/zinc/32/62/28/184326228.db2.gz	MLCWIBOBKOYAHJ-UHFFFAOYSA-N	-1	3	306.205	5.097	10	0		DKAEHM
[O-]c1cc(-c2cccc(Cl)c2Cl)cc(C(F)(F)F)c1	ZINC000065344327	184326115	/nfs/dbraw/zinc/32/61/15/184326115.db2.gz	ISMAPRXCNOECIS-UHFFFAOYSA-N	-1	3	307.098	5.385	10	0		DKAEHM
[O-]c1cc(-c2ccc(Cl)cc2Cl)cc(C(F)(F)F)c1	ZINC000065344331	184326209	/nfs/dbraw/zinc/32/62/09/184326209.db2.gz	BPRBQQJAHIACRP-UHFFFAOYSA-N	-1	3	307.098	5.385	10	0		DKAEHM
[O-]c1cc(-c2cc(Cl)ccc2Cl)cc(C(F)(F)F)c1	ZINC000065344334	184326075	/nfs/dbraw/zinc/32/60/75/184326075.db2.gz	XLPISAGQLLHSTL-UHFFFAOYSA-N	-1	3	307.098	5.385	10	0		DKAEHM
[O-]c1cc(-c2ccc(Cl)c(Cl)c2)cc(C(F)(F)F)c1	ZINC000065344337	184326189	/nfs/dbraw/zinc/32/61/89/184326189.db2.gz	HALUNQVWXPOXKM-UHFFFAOYSA-N	-1	3	307.098	5.385	10	0		DKAEHM
[O-]c1cc(-c2cc(Cl)cc(Cl)c2)cc(C(F)(F)F)c1	ZINC000065344339	184326245	/nfs/dbraw/zinc/32/62/45/184326245.db2.gz	PXSYCPFBSQWHQQ-UHFFFAOYSA-N	-1	3	307.098	5.385	10	0		DKAEHM
CCOc1ccc(-c2cc([O-])cc(C(F)(F)F)c2)c(Cl)c1	ZINC000065344379	184326141	/nfs/dbraw/zinc/32/61/41/184326141.db2.gz	WTXWTWCQZQXPEJ-UHFFFAOYSA-N	-1	3	316.706	5.130	10	0		DKAEHM
[O-]c1c(-c2ccccc2C(F)(F)F)cc(Cl)c2cccnc12	ZINC000090483906	185298539	/nfs/dbraw/zinc/29/85/39/185298539.db2.gz	GLWVMBYSRYYVKM-UHFFFAOYSA-N	-1	3	323.701	5.280	10	0		DKAEHM
O=Cc1c2c(ccc1[O-])oc(-c1ccccc1)c2-c1ccccc1	ZINC000090668730	185308814	/nfs/dbraw/zinc/30/88/14/185308814.db2.gz	HAWWNWBKOJPAEQ-UHFFFAOYSA-N	-1	3	314.340	5.285	10	0		DKAEHM
[O-]c1ccc(Cl)cc1C(=CCl)c1cc(Cl)ccc1O	ZINC000584651661	337381006	/nfs/dbraw/zinc/38/10/06/337381006.db2.gz	KELBVDHHMMJGKC-UHFFFAOYSA-N	-1	3	315.583	5.033	10	0		DKAEHM