smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[O-]c1cc(Cl)c([O-])c(Cl)c1Cl	ZINC000000896614	183257042	/nfs/dbraw/zinc/25/70/42/183257042.db2.gz	ZIIRLFNUZROIBX-UHFFFAOYSA-N	-2	3	213.447	3.058	10	0	in-vitro	BGAEHL
[O-]c1cc(-c2ccc(F)cc2[O-])ccc1F	ZINC000001595362	183255039	/nfs/dbraw/zinc/25/50/39/183255039.db2.gz	WPCWNCJRRAUCHO-UHFFFAOYSA-N	-2	3	222.190	3.043	10	0		BGAEHL
O=C([O-])/C(=C\c1ccccc1)c1ccc([O-])cc1	ZINC000001690337	383923471	/nfs/dbraw/zinc/92/34/71/383923471.db2.gz	PWIVKZVIIHYFAY-UVTDQMKNSA-N	-2	3	240.258	3.017	10	0		BGAEHL
[O-]c1ccc(-c2ccc([O-])c(F)c2)cc1F	ZINC000032153068	183264840	/nfs/dbraw/zinc/26/48/40/183264840.db2.gz	OXGQXNQNMPUWNP-UHFFFAOYSA-N	-2	3	222.190	3.043	10	0		BGAEHL
S=c1[n-]nc(-c2c(Cl)cccc2Cl)[n-]1	ZINC000036948350	385591618	/nfs/dbraw/zinc/59/16/18/385591618.db2.gz	CQPWBODSCCFCLC-UHFFFAOYSA-N	-2	3	246.122	3.067	10	0		BGAEHL
[O-]c1ccc(-c2ccccc2)c([O-])c1Cl	ZINC000039119064	183264777	/nfs/dbraw/zinc/26/47/77/183264777.db2.gz	ZJHCPEUNGDLOOI-UHFFFAOYSA-N	-2	3	220.655	3.418	10	0		BGAEHL
Cc1ccc(-c2cc(F)ccc2[O-])c(C(=O)[O-])c1	ZINC000041661335	178321136	/nfs/dbraw/zinc/32/11/36/178321136.db2.gz	WCVQDEALCGIPNR-UHFFFAOYSA-N	-2	3	246.237	3.205	10	0		BGAEHL
[O-]c1cc(F)cc(-c2cc([O-])cc(F)c2)c1	ZINC000065340795	183258729	/nfs/dbraw/zinc/25/87/29/183258729.db2.gz	GRPOYTDSJYSAFJ-UHFFFAOYSA-N	-2	3	222.190	3.043	10	0		BGAEHL
Cc1ccc(-c2ccc(C(=O)[O-])cc2[O-])c(F)c1	ZINC000065349999	178323313	/nfs/dbraw/zinc/32/33/13/178323313.db2.gz	JVXLTPCLJOHFLD-UHFFFAOYSA-N	-2	3	246.237	3.205	10	0		BGAEHL
Cc1ccc(-c2ccc([O-])c(F)c2)c(C(=O)[O-])c1	ZINC000065350144	178325150	/nfs/dbraw/zinc/32/51/50/178325150.db2.gz	FYPTWAWHJGSORW-UHFFFAOYSA-N	-2	3	246.237	3.205	10	0		BGAEHL
Cc1ccc(-c2cc([O-])cc(F)c2)c(C(=O)[O-])c1	ZINC000065350168	178320982	/nfs/dbraw/zinc/32/09/82/178320982.db2.gz	WQZCTFIESGJSMR-UHFFFAOYSA-N	-2	3	246.237	3.205	10	0		BGAEHL
Cc1ccc(-c2ccc(F)cc2[O-])c(C(=O)[O-])c1	ZINC000065350192	178325171	/nfs/dbraw/zinc/32/51/71/178325171.db2.gz	BGSRFMDKZCWRPU-UHFFFAOYSA-N	-2	3	246.237	3.205	10	0		BGAEHL
CCC(CC)(c1ccc(C)cc1)P(=O)([O-])[O-]	ZINC000071615113	168332496	/nfs/dbraw/zinc/33/24/96/168332496.db2.gz	ZNAMLURJXIXJTK-UHFFFAOYSA-N	-2	3	242.255	3.188	10	0		BGAEHL
O=C([O-])c1ccccc1-c1cc(Cl)ccc1[O-]	ZINC000071791835	384180678	/nfs/dbraw/zinc/18/06/78/384180678.db2.gz	OLXBNCSAXBFKHO-UHFFFAOYSA-N	-2	3	248.665	3.411	10	0		BGAEHL
CC[Si](CC)(CC)[C@H](C)CP(=O)([O-])[O-]	ZINC000584630049	358299776	/nfs/dbraw/zinc/29/97/76/358299776.db2.gz	GWOCUBVCUAMYBV-SECBINFHSA-N	-2	3	238.340	3.063	10	0		BGAEHL
CC[Si](CC)(CC)[C@@H](C)CP(=O)([O-])[O-]	ZINC000584630052	358299651	/nfs/dbraw/zinc/29/96/51/358299651.db2.gz	GWOCUBVCUAMYBV-VIFPVBQESA-N	-2	3	238.340	3.063	10	0		BGAEHL
O=C([O-])CCCCCCc1cccc(F)c1[O-]	ZINC000584652413	358307596	/nfs/dbraw/zinc/30/75/96/358307596.db2.gz	JBWBJGKLHSJSCE-UHFFFAOYSA-N	-2	3	240.274	3.109	10	0		BGAEHL
O=C([O-])CCCCCCc1ccc(F)cc1[O-]	ZINC000584652430	358307867	/nfs/dbraw/zinc/30/78/67/358307867.db2.gz	KIGSQXOWXDFTPF-UHFFFAOYSA-N	-2	3	240.274	3.109	10	0		BGAEHL