smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H](Cn1cnc2cnc(NC(N)=[NH2+])nc21)OC[P@@](=O)([O-])O	ZINC000029123717	202181585	/nfs/dbraw/zinc/18/15/85/202181585.db2.gz	VNVCCSZVRKXCAX-LURJTMIESA-N	0	2	329.257	-0.729	1	30		EBEFLN
C[C@@H](Cn1cnc2cnc(NC(N)=[NH2+])nc21)OC[P@](=O)([O-])O	ZINC000029123717	202181586	/nfs/dbraw/zinc/18/15/86/202181586.db2.gz	VNVCCSZVRKXCAX-LURJTMIESA-N	0	2	329.257	-0.729	1	30		EBEFLN
C[C@H](Cn1cnc2cnc(NC(N)=[NH2+])nc21)OC[P@@](=O)([O-])O	ZINC000029123779	202182259	/nfs/dbraw/zinc/18/22/59/202182259.db2.gz	VNVCCSZVRKXCAX-ZCFIWIBFSA-N	0	2	329.257	-0.729	1	30		EBEFLN
C[C@H](Cn1cnc2cnc(NC(N)=[NH2+])nc21)OC[P@](=O)([O-])O	ZINC000029123779	202182261	/nfs/dbraw/zinc/18/22/61/202182261.db2.gz	VNVCCSZVRKXCAX-ZCFIWIBFSA-N	0	2	329.257	-0.729	1	30		EBEFLN
CCOC(=O)C(=O)Nc1cc(C#N)cc(NC(=O)c2nn[nH]n2)c1	ZINC000027862825	202160205	/nfs/dbraw/zinc/16/02/05/202160205.db2.gz	JDCJJZPHEMRYAX-UHFFFAOYSA-N	0	2	329.276	-0.175	1	30		EBEFLN
CC(=O)OC[C@@H]1O[C@H](n2c(C#N)cc(=O)[nH]c2=O)C[C@@H]1OC(C)=O	ZINC000031870775	202211655	/nfs/dbraw/zinc/21/16/55/202211655.db2.gz	ZBTRHDRHWZYQKV-GVXVVHGQSA-N	0	2	337.288	-0.809	1	30		EBEFLN
CC(NNS(=O)(=O)c1ccc(C)cc1)=C1C(=O)NC(=O)NC1=O	ZINC000103238321	219273337	/nfs/dbraw/zinc/27/33/37/219273337.db2.gz	FKVKAAIOVPSWNZ-LZYBPNLTSA-N	0	2	338.345	-0.369	1	30		EBEFLN