smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc2ccccc2c1C(=O)CC(C)(C)C	ZINC000160808988	358720014	/nfs/dbraw/zinc/72/00/14/358720014.db2.gz	QDDMTDTUJXGYIC-UHFFFAOYSA-N	0	0	240.346	4.767	10	70		BJIERN
CCCCC(=O)c1c(C)ccc2ccccc21	ZINC000160821392	358952428	/nfs/dbraw/zinc/95/24/28/358952428.db2.gz	DCXNOIKGJUCURE-UHFFFAOYSA-N	0	0	226.319	4.521	10	70		BJIERN
CCC(C)(C)C(=O)c1c(C)ccc2ccccc21	ZINC000160823174	358952420	/nfs/dbraw/zinc/95/24/20/358952420.db2.gz	GNFFFJQPCSAKMI-UHFFFAOYSA-N	0	0	240.346	4.767	10	70		BJIERN
CC(C)c1cccc2c1NC(C)(C)C[C@@H]2C	ZINC000216655218	490218432	/nfs/dbraw/zinc/21/84/32/490218432.db2.gz	BQQNDMBMWBJZKU-NSHDSACASA-N	0	0	217.356	4.508	10	70		BJIERN
CC(C)c1cccc2c1NC(C)(C)C[C@H]2C	ZINC000216655263	490218314	/nfs/dbraw/zinc/21/83/14/490218314.db2.gz	BQQNDMBMWBJZKU-LLVKDONJSA-N	0	0	217.356	4.508	10	70		BJIERN
CC1(C)CCC(C)(C)c2cc3[nH]ccc3cc21	ZINC000217019883	343052808	/nfs/dbraw/zinc/05/28/08/343052808.db2.gz	GQEAQFXSNFTIPI-UHFFFAOYSA-N	0	0	227.351	4.517	10	70		BJIERN
CC1=Cc2c(cccc2-c2cc(F)cc(F)c2)C1	ZINC000217355615	350050994	/nfs/dbraw/zinc/05/09/94/350050994.db2.gz	OBLAYYZFYJDUCX-UHFFFAOYSA-N	0	0	242.268	4.591	10	70		BJIERN