smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[S@@+](CC[C@@H]([NH3+])C(=O)[O-])C[C@H]1O[C@@H](n2cnc3c2ncnc3N)[C@H](O)[C@@H]1O	ZINC000013522357	525360700	/nfs/dbraw/zinc/36/07/00/525360700.db2.gz	MEFKEPWMEQBLKI-FQUGXGABSA-O	1	0	399.453	-1.922	40	30	in-man,metabolite	GAEBRO
C[S@+](CC[C@@H]([NH3+])C(=O)[O-])C[C@H]1O[C@@H](n2cnc3c2ncnc3N)[C@H](O)[C@@H]1O	ZINC000013522362	525360015	/nfs/dbraw/zinc/36/00/15/525360015.db2.gz	MEFKEPWMEQBLKI-XSNYTKKPSA-O	1	0	399.453	-1.922	40	30	in-man,metabolite	GAEBRO
C[S@@+](CC[C@H]([NH3+])C(=O)[O-])C[C@H]1O[C@@H](n2cnc3c2ncnc3N)[C@@H](O)[C@@H]1O	ZINC000095644663	525360334	/nfs/dbraw/zinc/36/03/34/525360334.db2.gz	MEFKEPWMEQBLKI-VOQVMQACSA-O	1	0	399.453	-1.922	40	30	in-vitro	GAEBRO
C[S@+](CC[C@H]([NH3+])C(=O)[O-])C[C@H]1O[C@@H](n2cnc3c2ncnc3N)[C@@H](O)[C@@H]1O	ZINC000095644664	525359823	/nfs/dbraw/zinc/35/98/23/525359823.db2.gz	MEFKEPWMEQBLKI-FARSBDHMSA-O	1	0	399.453	-1.922	40	30	in-vitro	GAEBRO
C[S@+](CC[C@H]([NH3+])C(=O)[O-])C[C@@H]1O[C@H](n2cnc3c2ncnc3N)[C@@H](O)[C@H]1O	ZINC000254297245	570976455	/nfs/dbraw/zinc/97/64/55/570976455.db2.gz	MEFKEPWMEQBLKI-VYMNENEOSA-O	1	0	399.453	-1.922	40	30	in-vitro	GAEBRO
C[S@+](CC[C@H]([NH3+])C(=O)[O-])C[C@@H]1O[C@H](n2cnc3c2ncnc3N)[C@H](O)[C@H]1O	ZINC000254297254	570976417	/nfs/dbraw/zinc/97/64/17/570976417.db2.gz	MEFKEPWMEQBLKI-XLLODJCISA-O	1	0	399.453	-1.922	40	30	in-vitro	GAEBRO
C[S@+](CC[C@H]([NH3+])C(=O)[O-])C[C@@H]1O[C@H](n2cnc3c2ncnc3N)[C@H](O)[C@@H]1O	ZINC000254297257	525360425	/nfs/dbraw/zinc/36/04/25/525360425.db2.gz	MEFKEPWMEQBLKI-YLMPMJOSSA-O	1	0	399.453	-1.922	40	30	in-vitro	GAEBRO
CC(C)C[C@H]([NH3+])C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000255978135	570898358	/nfs/dbraw/zinc/89/83/58/570898358.db2.gz	IBMVEYRWAWIOTN-XQQFMLRXSA-N	1	0	384.481	-1.026	40	30		GAEBRO