smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C#CCNC(=O)CC[C@H]1CNC(=O)[C@@H]2[C@@H](CCN2Cc2nc3ccccc3n2C)N1C	ZINC000022920835	518273979	/nfs/dbraw/zinc/27/39/79/518273979.db2.gz	DVAJXFZTFXNXTA-NBCNXNJRSA-N	0	3	422.533	0.476	40	30	biogenic,in-vitro	HCEBHN
C#CCNC(=O)CC[C@H]1CNC(=O)[C@@H]2[C@@H](CCN2Cc2ccc(N(C)C)cc2)N1C	ZINC000022921173	518272639	/nfs/dbraw/zinc/27/26/39/518272639.db2.gz	BEGFWYGEFJCDJL-VWPQPMDRSA-N	0	3	411.550	0.655	40	30	biogenic,in-vitro	HCEBHN
CCN1CCC[C@@H]1CN1CNC(=NS(=O)(=O)c2cccc3nsnc32)NC1	ZINC000040387496	521632736	/nfs/dbraw/zinc/63/27/36/521632736.db2.gz	BOJNDBNPPRMNFU-GFCCVEGCSA-N	0	3	409.541	0.630	40	30		HCEBHN
CCN1CCC[C@H]1CN1CNC(=NS(=O)(=O)c2cccc3nsnc32)NC1	ZINC000040387497	558944436	/nfs/dbraw/zinc/94/44/36/558944436.db2.gz	BOJNDBNPPRMNFU-LBPRGKRZSA-N	0	3	409.541	0.630	40	30		HCEBHN
CCn1cc(C(=O)ON2C(=O)CCC2=O)c(=O)c2cc(F)c(N3CCNCC3)cc21	ZINC000329788064	569009922	/nfs/dbraw/zinc/00/99/22/569009922.db2.gz	IKTSMSLDXRBXKJ-UHFFFAOYSA-N	0	3	416.409	0.791	40	30		HCEBHN