smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CSCC[C@H](N)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000013541716	525584435	/nfs/dbraw/zinc/58/44/35/525584435.db2.gz	OBVHKUFUDCPZDW-JYJNAYRXSA-N	0	3	452.581	-0.373	10	0		JBAEHN
CC(C)C[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CC(C)C)C(=O)[O-]	ZINC000015722331	555957204	/nfs/dbraw/zinc/95/72/04/555957204.db2.gz	KEJKLBKXNJSXOW-QAETUUGQSA-N	0	3	459.588	-0.934	10	0		JBAEHN
CN(C)C(=O)CN1CCN(C(=O)c2ccc(N3CCNCC3)c(NS(C)(=O)=O)c2)CC1	ZINC000033264018	523987454	/nfs/dbraw/zinc/98/74/54/523987454.db2.gz	NKDGMULMCKALBD-UHFFFAOYSA-N	0	3	452.581	-0.686	10	0		JBAEHN
COc1ccc(C[C@H](N)C(=O)N[C@@H]2[C@@H](O)[C@H](n3cnc4c3ncnc4N(C)C)O[C@@H]2CO)cc1	ZINC000056871351	563206136	/nfs/dbraw/zinc/20/61/36/563206136.db2.gz	RXWNCPJZOCPEPQ-ZSRCTWEPSA-N	0	3	471.518	-0.794	10	0	in-man	JBAEHN
COc1ccc(C[C@H](N)C(=O)N[C@@H]2[C@H](O)[C@H](n3cnc4c3ncnc4N(C)C)O[C@@H]2CO)cc1	ZINC000064511802	569618038	/nfs/dbraw/zinc/61/80/38/569618038.db2.gz	RXWNCPJZOCPEPQ-BIWGCHKCSA-N	0	3	471.518	-0.794	10	0	in-vitro	JBAEHN