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)[N@H+]1C	ZINC000022920835	518273965	/nfs/dbraw/zinc/27/39/65/518273965.db2.gz	DVAJXFZTFXNXTA-NBCNXNJRSA-N	1	0	422.533	0.476	40	30	biogenic,in-vitro	HCEBRO
C#CCNC(=O)CC[C@H]1CNC(=O)[C@@H]2[C@@H](CCN2Cc2ccc(N(C)C)cc2)[N@H+]1C	ZINC000022921173	518272627	/nfs/dbraw/zinc/27/26/27/518272627.db2.gz	BEGFWYGEFJCDJL-VWPQPMDRSA-N	1	0	411.550	0.655	40	30	biogenic,in-vitro	HCEBRO
Cn1c(N)c(C(=O)C[n+]2cc(-c3ccc(Cl)cc3)n3c2CCC3)c(=O)n(C)c1=O	ZINC000027788767	527073336	/nfs/dbraw/zinc/07/33/36/527073336.db2.gz	ZMCUHQKOBGXKSD-UHFFFAOYSA-O	1	0	414.873	0.905	40	30		HCEBRO
CC[N@@H+]1CCC[C@@H]1CN1CNC(=NS(=O)(=O)c2cccc3nsnc32)NC1	ZINC000040387496	521632723	/nfs/dbraw/zinc/63/27/23/521632723.db2.gz	BOJNDBNPPRMNFU-GFCCVEGCSA-N	1	0	409.541	0.630	40	30		HCEBRO
CC[N@@H+]1CCC[C@H]1CN1CNC(=NS(=O)(=O)c2cccc3nsnc32)NC1	ZINC000040387497	558944430	/nfs/dbraw/zinc/94/44/30/558944430.db2.gz	BOJNDBNPPRMNFU-LBPRGKRZSA-N	1	0	409.541	0.630	40	30		HCEBRO
CCn1cc(C(=O)ON2C(=O)CCC2=O)c(=O)c2cc(F)c(N3CC[NH2+]CC3)cc21	ZINC000329788064	569009921	/nfs/dbraw/zinc/00/99/21/569009921.db2.gz	IKTSMSLDXRBXKJ-UHFFFAOYSA-N	1	0	416.409	0.791	40	30		HCEBRO