smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)c1ccc(/C=C/c2ccc([O-])cc2)cc1	ZINC000013673430	188106024	/nfs/dbraw/zinc/10/60/24/188106024.db2.gz	HBQOSFXNSGEHIA-ONEGZZNKSA-N	-1	3	239.318	3.629	10	10		BHCEHM
[O-]c1cc2ccoc2cc1CNc1ccccc1	ZINC000028003273	183262817	/nfs/dbraw/zinc/26/28/17/183262817.db2.gz	CALXOPFKTUKCHC-UHFFFAOYSA-N	-1	3	239.274	3.751	10	10		BHCEHM
Cc1ccc(NCc2cccc(F)c2[O-])cc1C	ZINC000083373989	631424360	/nfs/dbraw/zinc/42/43/60/631424360.db2.gz	VWPFHGJPSZZONE-UHFFFAOYSA-N	-1	3	245.297	3.760	10	10		BHCEHM
Cc1cccc(NCc2cccc(F)c2[O-])c1C	ZINC000083374015	179149752	/nfs/dbraw/zinc/14/97/52/179149752.db2.gz	YEMKZEQTRYITPK-UHFFFAOYSA-N	-1	3	245.297	3.760	10	10		BHCEHM
Cc1ccc(NCc2cccc(F)c2[O-])c(C)c1	ZINC000083374019	631424063	/nfs/dbraw/zinc/42/40/63/631424063.db2.gz	WHPLHECVQAGLQY-UHFFFAOYSA-N	-1	3	245.297	3.760	10	10		BHCEHM
CCc1cccc(NCc2cccc(F)c2[O-])c1	ZINC000083374102	631423482	/nfs/dbraw/zinc/42/34/82/631423482.db2.gz	KTJUOHPKTCRCIK-UHFFFAOYSA-N	-1	3	245.297	3.706	10	10		BHCEHM
Cc1ccc(F)c(NCc2cccc(F)c2[O-])c1	ZINC000083380251	178676054	/nfs/dbraw/zinc/67/60/54/178676054.db2.gz	ILGCUBVRPKHFPH-UHFFFAOYSA-N	-1	3	249.260	3.591	10	10		BHCEHM
Cc1cc(F)ccc1NCc1cccc(F)c1[O-]	ZINC000083380259	178089924	/nfs/dbraw/zinc/08/99/24/178089924.db2.gz	SYVYQSATTGKPJU-UHFFFAOYSA-N	-1	3	249.260	3.591	10	10		BHCEHM
Cc1ccc(NCc2cccc(F)c2[O-])c(F)c1	ZINC000083380267	631425358	/nfs/dbraw/zinc/42/53/58/631425358.db2.gz	MTBJVAPKOAOHBL-UHFFFAOYSA-N	-1	3	249.260	3.591	10	10		BHCEHM
Cc1ccc(NCc2cccc(F)c2[O-])cc1F	ZINC000083380277	643443284	/nfs/dbraw/zinc/44/32/84/643443284.db2.gz	FWJTWVDNUNKYQS-UHFFFAOYSA-N	-1	3	249.260	3.591	10	10		BHCEHM
[N-]=[N+]=NC=C([O-])c1cc(Cl)sc1Cl	ZINC000130740202	368140350	/nfs/dbraw/zinc/14/03/50/368140350.db2.gz	GMFVBFBQHNRHPM-UHFFFAOYSA-N	-1	3	236.083	3.548	10	10		BHCEHM
Cc1c(F)cccc1NCc1cccc(F)c1[O-]	ZINC000158741606	641648546	/nfs/dbraw/zinc/64/85/46/641648546.db2.gz	XOOAGURKPBOKDB-UHFFFAOYSA-N	-1	3	249.260	3.591	10	10		BHCEHM
Cc1cc(NCc2cccc(F)c2[O-])ccc1F	ZINC000158759991	641650757	/nfs/dbraw/zinc/65/07/57/641650757.db2.gz	LRFYNOVTNFWFQU-UHFFFAOYSA-N	-1	3	249.260	3.591	10	10		BHCEHM
Cc1cc(F)cc(NCc2cccc(F)c2[O-])c1	ZINC000158805030	641651796	/nfs/dbraw/zinc/65/17/96/641651796.db2.gz	KKGFRMWMHUEJHT-UHFFFAOYSA-N	-1	3	249.260	3.591	10	10		BHCEHM