smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(/C=C2/C(=O)NN(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1O	ZINC000033399375	521946750	/nfs/dbraw/zinc/94/67/50/521946750.db2.gz	RHCIVYCCIKGWQS-WMZJFQQLSA-N	0	2	458.095	3.932	10	10		JHCELN
CCOC(=O)COc1ccccc1C=C1C(=O)NC(=O)N(c2cccc(Br)c2)C1=O	ZINC000033417611	520808253	/nfs/dbraw/zinc/80/82/53/520808253.db2.gz	PUQCXJNYQOKZBC-YBEGLDIGSA-N	0	2	473.279	3.898	10	10		JHCELN
COc1ccc(C=C2C(=O)NC(=O)N(c3ccccc3)C2=O)cc1CN1C(=O)c2ccccc2C1=O	ZINC000034388165	563113482	/nfs/dbraw/zinc/11/34/82/563113482.db2.gz	BEDQUUBBDQKKCL-KGENOOAVSA-N	0	2	481.464	3.998	10	10		JHCELN
COc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1OC	ZINC000033321614	521960418	/nfs/dbraw/zinc/96/04/18/521960418.db2.gz	PTEBQHUEKPGISI-QPEQYQDCSA-N	0	2	496.232	3.954	10	10		JHCELN
COc1cc(/C=C2\C(=O)NN(c3cccc(C(F)(F)F)c3)C2=O)ccc1OC(=O)c1ccco1	ZINC000033390713	521962123	/nfs/dbraw/zinc/96/21/23/521962123.db2.gz	UVSSFJCEGOZOGO-MHWRWJLKSA-N	0	2	472.375	3.988	10	10		JHCELN
COC(=O)COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(C(C)C)cc3)C2=O)cc1OC	ZINC000033321694	523221871	/nfs/dbraw/zinc/22/18/71/523221871.db2.gz	DUEPCOQIIJCNKS-WQRHYEAKSA-N	0	2	452.463	3.877	10	10		JHCELN
COc1cc(C=C2C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc(OC)c1OC	ZINC000033316867	521959754	/nfs/dbraw/zinc/95/97/54/521959754.db2.gz	AVHUCFLYXMYETH-AUWJEWJLSA-N	0	2	461.268	3.982	10	10		JHCELN
COc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c([N+](=O)[O-])cc1OC	ZINC000033321819	521960634	/nfs/dbraw/zinc/96/06/34/521960634.db2.gz	YEMZNQYSDWGBOI-QPEQYQDCSA-N	0	2	476.239	3.881	10	10		JHCELN