smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)c1sc(SC)c(Cl)c1O	ZINC000051943294	384704482	/nfs/dbraw/zinc/70/44/82/384704482.db2.gz	CGDCDNALBHZWNI-UHFFFAOYSA-N	0	2	238.717	2.616	50	10		BFCALN
CC1=NN(C)C(=O)C1=NNc1ccccc1	ZINC000017862581	180359997	/nfs/dbraw/zinc/35/99/97/180359997.db2.gz	BILMGVVKPKSFPR-OUKQBFOZSA-N	0	2	216.244	2.850	50	10		BFCALN
CC1=NN(C)C(=O)C1=NNc1ccc(F)cc1	ZINC000004389924	180360516	/nfs/dbraw/zinc/36/05/16/180360516.db2.gz	RHXAEYJWZWLDEO-BUHFOSPRSA-N	0	2	234.234	2.989	50	10		BFCALN
O=C1CC(=O)c2cc(Cl)c(Cl)cc21	ZINC000100221400	384623816	/nfs/dbraw/zinc/62/38/16/384623816.db2.gz	DMJDPMXHMLDKKK-UHFFFAOYSA-N	0	2	215.035	2.763	50	10		BFCALN
CCCOc1ccc([NH+]2CCCC2)cc1C(=O)[O-]	ZINC000014000365	169319378	/nfs/dbraw/zinc/31/93/78/169319378.db2.gz	QUFICQBISHGJTK-UHFFFAOYSA-N	0	2	249.310	2.774	50	10		BFCALN