smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#CC(C(=O)c1cc(Br)ccc1Cl)c1cccs1	ZINC000052902931	214153700	/nfs/dbraw/zinc/15/37/00/214153700.db2.gz	VNISHLIDGLPLOT-SNVBAGLBSA-N	0	3	340.629	4.654	10	30		EJEEHN
C=CCNCc1cc(Cl)c(OCc2ccc(C)cc2)c(OCC)c1	ZINC000020874863	518952250	/nfs/dbraw/zinc/95/22/50/518952250.db2.gz	SSPNHEYWOGRCSZ-UHFFFAOYSA-N	0	3	345.870	4.902	10	30		EJEEHN
C=CCNCc1cccc(OCC)c1OCc1ccccc1Cl	ZINC000013729768	258017535	/nfs/dbraw/zinc/01/75/35/258017535.db2.gz	NKBVGAWZALSTFT-UHFFFAOYSA-N	0	3	331.843	4.593	10	30		EJEEHN
C=CCNCc1cc(Br)ccc1OCc1ccc(C)cc1	ZINC000020874597	518952416	/nfs/dbraw/zinc/95/24/16/518952416.db2.gz	FULXBEDGMQHFMP-UHFFFAOYSA-N	0	3	346.268	4.612	10	30		EJEEHN
C=C(Br)COc1ccc(Cl)cc1[C@H](C)NCCC	ZINC000103967753	219333273	/nfs/dbraw/zinc/33/32/73/219333273.db2.gz	WYXNGUQIBAOORW-NSHDSACASA-N	0	3	332.669	4.688	10	30		EJEEHN
CCCCCCCNCc1cc(Br)cc(OC)c1OC	ZINC000104468746	520055290	/nfs/dbraw/zinc/05/52/90/520055290.db2.gz	YRMQRCLOSIBQQT-UHFFFAOYSA-N	0	3	344.293	4.526	10	30		EJEEHN
C=CC[C@@H]1CC=C[C@@H](C)N1Cc1nc(-c2ccc(F)cc2)oc1C	ZINC000012090399	211289867	/nfs/dbraw/zinc/28/98/67/211289867.db2.gz	HBYGDWXTOQPIFJ-RDTXWAMCSA-N	0	3	326.415	4.884	10	30		EJEEHN
C=CCNCc1cccc(OCC)c1OCc1ccc(Cl)cc1	ZINC000013730184	258017334	/nfs/dbraw/zinc/01/73/34/258017334.db2.gz	OEOVXHADWCMXJH-UHFFFAOYSA-N	0	3	331.843	4.593	10	30		EJEEHN
C=C(Br)COc1ccc(Cl)cc1[C@@H](C)NCCC	ZINC000103967755	219333431	/nfs/dbraw/zinc/33/34/31/219333431.db2.gz	WYXNGUQIBAOORW-LLVKDONJSA-N	0	3	332.669	4.688	10	30		EJEEHN
C=CCNCc1cc(Cl)c(OCc2ccc(C)cc2)c(OC)c1	ZINC000020874991	518953284	/nfs/dbraw/zinc/95/32/84/518953284.db2.gz	HDPOBNRPBICNRL-UHFFFAOYSA-N	0	3	331.843	4.512	10	30		EJEEHN