smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCCCCCCCC	ZINC000001693738	171000742	/nfs/dbraw/zinc/00/07/42/171000742.db2.gz	IIYFAKIEWZDVMP-UHFFFAOYSA-N	0	0	184.367	5.317	50	30	biogenic,in-man	AKEARN
C=CCCCCCCCCCCCC	ZINC000001693893	171000888	/nfs/dbraw/zinc/00/08/88/171000888.db2.gz	HFDVRLIODXPAHB-UHFFFAOYSA-N	0	0	196.378	5.483	50	30	biogenic,in-vitro	AKEARN
CCCCCCCCCCCCCC	ZINC000001698519	290750075	/nfs/dbraw/zinc/75/00/75/290750075.db2.gz	BGHCVCJVXZWKCC-UHFFFAOYSA-N	0	0	198.394	5.707	50	30	biogenic,in-man	AKEARN
CCCCCCCCC1CCCCC1	ZINC000001716101	171001341	/nfs/dbraw/zinc/00/13/41/171001341.db2.gz	FBXWCEKQCVOOLT-UHFFFAOYSA-N	0	0	196.378	5.317	50	30		AKEARN
C=CCCCCCCCCCCC	ZINC000001718855	171002153	/nfs/dbraw/zinc/00/21/53/171002153.db2.gz	VQOXUMQBYILCKR-UHFFFAOYSA-N	0	0	182.351	5.093	50	30	endogenous,in-man	AKEARN
C=C(C)CCCCCCCCCC	ZINC000002528313	166118111	/nfs/dbraw/zinc/11/81/11/166118111.db2.gz	PWRBDKMPAZFCSV-UHFFFAOYSA-N	0	0	182.351	5.093	50	30		AKEARN
CCCCCC/C=C/CCCCCC	ZINC000002539252	342975418	/nfs/dbraw/zinc/97/54/18/342975418.db2.gz	UBDIXSAEHLOROW-BUHFOSPRSA-N	0	0	196.378	5.483	50	30		AKEARN
C=CCCCCCCCCCCC=C	ZINC000002560550	527113411	/nfs/dbraw/zinc/11/34/11/527113411.db2.gz	XMRSTLBCBDIKFI-UHFFFAOYSA-N	0	0	194.362	5.259	50	30		AKEARN
CCCCCCCC[C@H](C)CCC	ZINC000002564125	166851565	/nfs/dbraw/zinc/85/15/65/166851565.db2.gz	UZTXSMATBUWDDZ-CYBMUJFWSA-N	0	0	184.367	5.173	50	30		AKEARN
CCCCCCCC[C@@H](C)CCC	ZINC000082029214	343594901	/nfs/dbraw/zinc/59/49/01/343594901.db2.gz	UZTXSMATBUWDDZ-ZDUSSCGKSA-N	0	0	184.367	5.173	50	30		AKEARN