smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1cc(-c2cc(-c3cnccc3C(F)(F)F)no2)cc(O)c1O	ZINC000049112876	205170913	/nfs/dbraw/zinc/17/09/13/205170913.db2.gz	SZPVLNYAGHPLLT-UHFFFAOYSA-N	0	2	367.239	3.742	1	10		FHCFLN
CC(C)=CCc1c(O)c(O)ccc1-c1coc2cc(O)cc(=O)c-2c1O	ZINC000014762991	560225760	/nfs/dbraw/zinc/22/57/60/560225760.db2.gz	XIUMMQJDWWYGHD-UHFFFAOYSA-N	0	2	354.358	3.791	1	10	in-vitro	FHCFLN
CC(C)=CCc1c(O)c(O)ccc1-c1coc2cc(O)cc(O)c2c1=O	ZINC000014762991	560225761	/nfs/dbraw/zinc/22/57/61/560225761.db2.gz	XIUMMQJDWWYGHD-UHFFFAOYSA-N	0	2	354.358	3.791	1	10	in-vitro	FHCFLN
Nc1ccc(NC(=O)c2c(O)c3ccccc3n(-c3ccccc3)c2=O)cc1	ZINC000101079061	205953719	/nfs/dbraw/zinc/95/37/19/205953719.db2.gz	RNCMOIGQCBSLTJ-UHFFFAOYSA-N	0	2	371.396	3.531	1	10		FHCFLN
O=C(c1ccccc1)c1cc(O)c(O)c(Br)c1Br	ZINC000053294760	205191969	/nfs/dbraw/zinc/19/19/69/205191969.db2.gz	XVDJQTFJBGDHEK-UHFFFAOYSA-N	0	2	372.012	3.854	1	10		FHCFLN
CCCCC(=O)Oc1cc(O)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c12	ZINC000064447341	205298452	/nfs/dbraw/zinc/29/84/52/205298452.db2.gz	HQRKKPXEQUFHKU-UHFFFAOYSA-N	0	2	370.357	3.672	1	10		FHCFLN
CC(C)CCc1c(O)c2c(=O)cc(O)cc-2oc1-c1cc(O)c(O)c(O)c1	ZINC000013373822	291075602	/nfs/dbraw/zinc/07/56/02/291075602.db2.gz	SHVBBRIPECWRKL-UHFFFAOYSA-N	0	2	372.373	3.577	1	10	biogenic	FHCFLN
CC(C)CCc1c(=O)c2c(O)cc(O)cc2oc1-c1cc(O)c(O)c(O)c1	ZINC000013373822	291075603	/nfs/dbraw/zinc/07/56/03/291075603.db2.gz	SHVBBRIPECWRKL-UHFFFAOYSA-N	0	2	372.373	3.577	1	10	biogenic	FHCFLN
CC(C)=CCc1c(O)cc2occ(-c3ccc(O)c(O)c3)c(O)c-2c1=O	ZINC000014763007	220132094	/nfs/dbraw/zinc/13/20/94/220132094.db2.gz	URGGLJWRKAXLOT-UHFFFAOYSA-N	0	2	354.358	3.791	1	10		FHCFLN
CN(C)c1ccc(/C=C/Cn2cc(C(=O)O)c(=O)c3cccc(F)c32)cc1	ZINC000071341953	208762718	/nfs/dbraw/zinc/76/27/18/208762718.db2.gz	FOMRVDIOVVYYAS-SNAWJCMRSA-N	0	2	366.392	3.618	1	10		FHCFLN
CC(C)=CCc1c(O)cc(=O)c2c(O)cc(-c3ccc(O)c(O)c3)oc1-2	ZINC000014762763	220132238	/nfs/dbraw/zinc/13/22/38/220132238.db2.gz	WLZYCSNLBZYEHT-UHFFFAOYSA-N	0	2	354.358	3.791	1	10		FHCFLN
CC(C)=CCc1c(O)cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc12	ZINC000014762763	220132241	/nfs/dbraw/zinc/13/22/41/220132241.db2.gz	WLZYCSNLBZYEHT-UHFFFAOYSA-N	0	2	354.358	3.791	1	10		FHCFLN
NC1=Nn2c(nc(-c3ccccc3)cc2=O)C1=NNc1ccc2c(c1)OCO2	ZINC000102402996	222295574	/nfs/dbraw/zinc/29/55/74/222295574.db2.gz	BFAICKCFCBOWKB-FCQUAONHSA-N	0	2	374.360	3.828	1	10		FHCFLN