smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccc(NC(=O)c2cc(Cl)cc(Cl)c2O)c1	ZINC000072105432	176316504	/nfs/dbraw/zinc/31/65/04/176316504.db2.gz	MMTKIPWCPIXSCS-UHFFFAOYSA-N	0	2	296.153	4.260	1	0		CIAFLN
O=c1cc(-c2csc3ccccc32)oc2cc(O)ccc12	ZINC000096914982	185128898	/nfs/dbraw/zinc/12/88/98/185128898.db2.gz	LOXGGQBHVVUZOY-UHFFFAOYSA-N	0	2	294.331	4.380	1	0		CIAFLN
CC(C)c1ccc(-c2cc(=O)c3ccc(O)cc3o2)cc1	ZINC000096914984	185129478	/nfs/dbraw/zinc/12/94/78/185129478.db2.gz	MNPRXNBRKPFOQB-UHFFFAOYSA-N	0	2	280.323	4.289	1	0		CIAFLN
CC(C)=CCCc1c2occc2c(O)c2ccc(=O)oc21	ZINC000059587833	560082790	/nfs/dbraw/zinc/08/27/90/560082790.db2.gz	DMKYEHHXGYNLJT-UHFFFAOYSA-N	0	2	284.311	4.144	1	0	biogenic,in-vitro	CIAFLN
Cc1ccc(-n2[nH]c3c(c2=O)CSc2ccccc2-3)cc1	ZINC000027899866	171537311	/nfs/dbraw/zinc/53/73/11/171537311.db2.gz	WLFSMPXDENUTNL-UHFFFAOYSA-N	0	2	294.379	4.159	1	0		CIAFLN
O=c1cc(-c2ccc3ccccc3c2)oc2cc(O)ccc12	ZINC000096915001	185129407	/nfs/dbraw/zinc/12/94/07/185129407.db2.gz	MZSUPJWHIPYNEG-UHFFFAOYSA-N	0	2	288.302	4.319	1	0		CIAFLN
CC(C)c1csc2[nH]c(=O)c(-c3ccccc3)c(O)c12	ZINC000013680002	170577302	/nfs/dbraw/zinc/57/73/02/170577302.db2.gz	BLARTJWPDDGSPV-UHFFFAOYSA-N	0	2	285.368	4.086	1	0		CIAFLN
Cc1ccccc1NC(=O)c1cc(Cl)cc(Cl)c1O	ZINC000072112687	176317690	/nfs/dbraw/zinc/31/76/90/176317690.db2.gz	UVMBTZYLGKLPAM-UHFFFAOYSA-N	0	2	296.153	4.260	1	0		CIAFLN
Cc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2O)cc1	ZINC000072107455	176316851	/nfs/dbraw/zinc/31/68/51/176316851.db2.gz	BRMGEEGAOHIXQF-UHFFFAOYSA-N	0	2	296.153	4.260	1	0		CIAFLN