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-])[C@H](O)c1cc([O-])c(O)c(F)c1	ZINC000039096258	343382629	/nfs/dbraw/zinc/38/26/29/343382629.db2.gz	QDRHRJYPRQJDPA-ZCFIWIBFSA-N	-2	3	202.137	0.355	10	10		BCCEHL
O=C([O-])[C@H](O)c1cc(O)c([O-])c(F)c1	ZINC000039096258	343382631	/nfs/dbraw/zinc/38/26/31/343382631.db2.gz	QDRHRJYPRQJDPA-ZCFIWIBFSA-N	-2	3	202.137	0.355	10	10		BCCEHL
CC(=O)C(=O)c1cc([O-])cc(O)c1C(=O)[O-]	ZINC000015121802	358433233	/nfs/dbraw/zinc/43/32/33/358433233.db2.gz	QBIABBDGHOTZMI-UHFFFAOYSA-N	-2	3	224.168	0.568	10	10		BCCEHL
Nc1c2cn[nH]c2c(S(=O)(=O)[O-])cc1[O-]	ZINC000089197028	383943387	/nfs/dbraw/zinc/94/33/87/383943387.db2.gz	ARVXLRUZMNNVGA-UHFFFAOYSA-N	-2	3	229.217	0.097	10	10		BCCEHL
Nc1c2n[nH]cc2c(S(=O)(=O)[O-])cc1[O-]	ZINC000089200649	383943992	/nfs/dbraw/zinc/94/39/92/383943992.db2.gz	OJDSUDZGKAOQET-UHFFFAOYSA-N	-2	3	229.217	0.097	10	10		BCCEHL
O=C([O-])[C@@H](O)c1ccc(F)c([O-])c1O	ZINC000039096260	343382723	/nfs/dbraw/zinc/38/27/23/343382723.db2.gz	OKHIKQGPFJQQHG-LURJTMIESA-N	-2	3	202.137	0.355	10	10		BCCEHL
O=C([O-])[C@H]1CN[C@H](c2cccc(O)c2[O-])S1	ZINC000000053000	187300754	/nfs/dbraw/zinc/30/07/54/187300754.db2.gz	XINGBNDQWWFUMW-APPZFPTMSA-N	-2	3	241.268	0.886	10	10		BCCEHL
O=CN[C@@H](C(=O)[O-])c1cc(F)ccc1[O-]	ZINC000236452186	344388786	/nfs/dbraw/zinc/38/87/86/344388786.db2.gz	VLFWEDSKHDEBGG-MRVPVSSYSA-N	-2	3	213.164	0.403	10	10		BCCEHL
O=[N+]([O-])c1ccc([N+](=O)[O-])c([O-])c1[O-]	ZINC000038174055	188291110	/nfs/dbraw/zinc/29/11/10/188291110.db2.gz	WQVRLADNOSJVJV-UHFFFAOYSA-N	-2	3	200.106	0.914	10	10		BCCEHL
O=C([O-])[C@@H]1CS[C@H](c2ccc(O)cc2[O-])N1	ZINC000033486947	345800647	/nfs/dbraw/zinc/80/06/47/345800647.db2.gz	GYBITJROHWLVSE-IONNQARKSA-N	-2	3	241.268	0.886	10	10		BCCEHL
O=C([O-])[C@@H](O)c1cc([O-])c(O)c(F)c1	ZINC000039096256	343382698	/nfs/dbraw/zinc/38/26/98/343382698.db2.gz	QDRHRJYPRQJDPA-LURJTMIESA-N	-2	3	202.137	0.355	10	10		BCCEHL
O=C([O-])[C@@H](O)c1cc(O)c([O-])c(F)c1	ZINC000039096256	343382701	/nfs/dbraw/zinc/38/27/01/343382701.db2.gz	QDRHRJYPRQJDPA-LURJTMIESA-N	-2	3	202.137	0.355	10	10		BCCEHL
O=C([O-])c1ccc2c(c1)NS(=O)(=O)[N-]2	ZINC000002524382	541301812	/nfs/dbraw/zinc/30/18/12/541301812.db2.gz	YSQVVDWEPHJIPT-UHFFFAOYSA-N	-2	3	214.202	0.467	10	10		BCCEHL
O=C([O-])[C@H](O)c1ccc(O)c([O-])c1F	ZINC000039096254	343382708	/nfs/dbraw/zinc/38/27/08/343382708.db2.gz	VLCZLUZLNNERKM-ZCFIWIBFSA-N	-2	3	202.137	0.355	10	10		BCCEHL
O=C([O-])[C@H](O)c1ccc([O-])c(O)c1F	ZINC000039096254	343382710	/nfs/dbraw/zinc/38/27/10/343382710.db2.gz	VLCZLUZLNNERKM-ZCFIWIBFSA-N	-2	3	202.137	0.355	10	10		BCCEHL
O=CN[C@H](C(=O)[O-])c1cc(F)ccc1[O-]	ZINC000236447128	344385248	/nfs/dbraw/zinc/38/52/48/344385248.db2.gz	VLFWEDSKHDEBGG-QMMMGPOBSA-N	-2	3	213.164	0.403	10	10		BCCEHL
CNC(=O)c1cc([O-])ccc1[N-]S(C)(=O)=O	ZINC000095712227	173309864	/nfs/dbraw/zinc/30/98/64/173309864.db2.gz	TUBLLOVRZHRUND-UHFFFAOYSA-N	-2	3	244.272	0.123	10	10		BCCEHL
O=C([O-])[C@H](O)c1ccc(F)c([O-])c1O	ZINC000039096262	343382308	/nfs/dbraw/zinc/38/23/08/343382308.db2.gz	OKHIKQGPFJQQHG-ZCFIWIBFSA-N	-2	3	202.137	0.355	10	10		BCCEHL
O=C([O-])[C@@H](O)c1ccc(O)c([O-])c1F	ZINC000039096252	343382401	/nfs/dbraw/zinc/38/24/01/343382401.db2.gz	VLCZLUZLNNERKM-LURJTMIESA-N	-2	3	202.137	0.355	10	10		BCCEHL
O=C([O-])[C@@H](O)c1ccc([O-])c(O)c1F	ZINC000039096252	343382404	/nfs/dbraw/zinc/38/24/04/343382404.db2.gz	VLCZLUZLNNERKM-LURJTMIESA-N	-2	3	202.137	0.355	10	10		BCCEHL
O=C([O-])c1c(O)c([O-])c(O)c(F)c1F	ZINC000039096496	384104186	/nfs/dbraw/zinc/10/41/86/384104186.db2.gz	SFVRTFIHRPECPG-UHFFFAOYSA-N	-2	3	206.100	0.780	10	10		BCCEHL
O=C([O-])c1c(O)c(O)c([O-])c(F)c1F	ZINC000039096496	384104194	/nfs/dbraw/zinc/10/41/94/384104194.db2.gz	SFVRTFIHRPECPG-UHFFFAOYSA-N	-2	3	206.100	0.780	10	10		BCCEHL
[NH3+][C@H](c1ccccc1[O-])P(=O)([O-])[O-]	ZINC000034160680	346213253	/nfs/dbraw/zinc/21/32/53/346213253.db2.gz	HXFDXEVONUSHHK-ZETCQYMHSA-N	-2	3	203.134	0.527	10	10		BCCEHL
[NH3+][C@@H](c1ccccc1[O-])P(=O)([O-])[O-]	ZINC000034160681	346213302	/nfs/dbraw/zinc/21/33/02/346213302.db2.gz	HXFDXEVONUSHHK-SSDOTTSWSA-N	-2	3	203.134	0.527	10	10		BCCEHL
O=C([O-])c1c(O)c([O-])c(O)c(F)c1O	ZINC000039096384	384104173	/nfs/dbraw/zinc/10/41/73/384104173.db2.gz	UNZLYWCJNRICRR-UHFFFAOYSA-N	-2	3	204.109	0.346	10	10		BCCEHL
O=C([O-])[C@@H]1CS[C@@H](c2ccc(O)cc2[O-])N1	ZINC000033486945	345800671	/nfs/dbraw/zinc/80/06/71/345800671.db2.gz	GYBITJROHWLVSE-CBAPKCEASA-N	-2	3	241.268	0.886	10	10		BCCEHL