smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C@@H]1[C@@H](O)[C@@H]([NH3+])CO[C@H]1CO	ZINC000953119990	781544859	/nfs/dbraw/zinc/54/48/59/781544859.db2.gz	DNYLJXXVQKKVEV-KJDUBMKQSA-N	1	3	324.330	-4.783	50	0		DAAAHO
N[C@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@H]1O[C@@H]1[C@@H](O)[C@H]([NH3+])CO[C@H]1CO	ZINC000953119987	781544931	/nfs/dbraw/zinc/54/49/31/781544931.db2.gz	DNYLJXXVQKKVEV-CMDXQRDWSA-N	1	3	324.330	-4.783	50	0		DAAAHO
O=C(c1cn(CCN2CC[NH2+]CC2)nn1)N1CCNC[C@H](O)C1	ZINC000097716883	372846326	/nfs/dbraw/zinc/84/63/26/372846326.db2.gz	KVWADNFYMMAURF-LBPRGKRZSA-N	1	3	323.401	-2.410	50	0		DAAAHO
O=C(c1cn(CCN2CC[NH2+]CC2)nn1)N1CCNC[C@@H](O)C1	ZINC000097716886	372847928	/nfs/dbraw/zinc/84/79/28/372847928.db2.gz	KVWADNFYMMAURF-GFCCVEGCSA-N	1	3	323.401	-2.410	50	0		DAAAHO
N[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C@@H]1[C@@H](O)[C@H]([NH3+])CO[C@H]1CO	ZINC000953119989	781544798	/nfs/dbraw/zinc/54/47/98/781544798.db2.gz	DNYLJXXVQKKVEV-JLLWYAATSA-N	1	3	324.330	-4.783	50	0		DAAAHO
N[C@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@H]1O[C@@H]1[C@@H](O)[C@@H]([NH3+])CO[C@H]1CO	ZINC000953119988	781545452	/nfs/dbraw/zinc/54/54/52/781545452.db2.gz	DNYLJXXVQKKVEV-HMZZNCNCSA-N	1	3	324.330	-4.783	50	0		DAAAHO