smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1c2nc(NN=Cc3ccc([N+](=O)[O-])cc3)n(C[C@H](O)CO)c2c(=O)[nH]c1=O	ZINC000005358143	560569626	/nfs/dbraw/zinc/56/96/26/560569626.db2.gz	RSPKERCHXRZIKS-HMVWTOQKSA-N	0	1	403.355	-0.869	50	30		HBEAMN
Nc1ncnc2c1nc(N=NCc1ccccc1O)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	ZINC000008818327	571121262	/nfs/dbraw/zinc/12/12/62/571121262.db2.gz	NVRAPKHZDCSSSJ-KFFALWPESA-N	0	1	401.383	-0.828	50	30	biogenic	HBEAMN
Nc1ncnc2c1nc(NN=Cc1ccc(O)cc1)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	ZINC000008836576	571123347	/nfs/dbraw/zinc/12/33/47/571123347.db2.gz	UUWMKIXWBJBBFG-KFFALWPESA-N	0	1	401.383	-0.828	50	30	biogenic	HBEAMN
Cn1c2nc(NN=Cc3ccc([N+](=O)[O-])cc3)n(C[C@@H](O)CO)c2c(=O)[nH]c1=O	ZINC000009301800	571246107	/nfs/dbraw/zinc/24/61/07/571246107.db2.gz	RSPKERCHXRZIKS-LDFGVUFUSA-N	0	1	403.355	-0.869	50	30		HBEAMN
Nc1ncnc2c1nc(NN=Cc1cccc(O)c1)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	ZINC000009322304	571248189	/nfs/dbraw/zinc/24/81/89/571248189.db2.gz	QVEZFXOWNFUOJL-KFFALWPESA-N	0	1	401.383	-0.828	50	30	biogenic	HBEAMN
C=CCN1C(=O)NC(=O)C(=C(CC)NCCN2CCN(C(=S)NC)CC2)C1=O	ZINC000020327510	569018835	/nfs/dbraw/zinc/01/88/35/569018835.db2.gz	NUGIJVGFOGMITD-BUHFOSPRSA-N	0	1	408.528	-0.374	50	30		HBEAMN
Cc1cc(C)nc(NC(=N)N2CCN(c3nc4c([nH]3)n(C)c(=O)n(C)c4=O)CC2)n1	ZINC000054263505	524575770	/nfs/dbraw/zinc/57/57/70/524575770.db2.gz	HWORNXARAZSHSH-UHFFFAOYSA-N	0	1	412.458	-0.864	50	30		HBEAMN