smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)c1cn[n-]c1[N-]N=C(C(=O)OC)[N+](=O)[O-]	ZINC000022017734	171349509	/nfs/dbraw/zinc/34/95/09/171349509.db2.gz	HVXINOQTVXBJGN-NTUHNPAUSA-N	-2	3	285.216	-0.239	50	30		CBEAHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)[N-]S(C)(=O)=O	ZINC000040543937	174323898	/nfs/dbraw/zinc/32/38/98/174323898.db2.gz	ABOSIMBCCRPFRK-UHFFFAOYSA-N	-2	3	297.336	-0.128	50	30		CBEAHL
CCOC(=O)c1[n-]cnc1[N-]N=C(C#N)C(=O)NC	ZINC000252608649	352378100	/nfs/dbraw/zinc/37/81/00/352378100.db2.gz	HMCXDVLAEUYNOK-UHFFFAOYSA-N	-2	3	264.245	-0.376	50	30		CBEAHL
N/C(=N\[O-])c1nonc1[N-]Cn1nnc2ccccc21	ZINC000004524396	351318662	/nfs/dbraw/zinc/31/86/62/351318662.db2.gz	ITGVBRYGLHQTPE-UHFFFAOYSA-N	-2	3	274.244	-0.022	50	30		CBEAHL
Cc1ncc(CO)c(/C=N/CCOS(=O)(=O)[O-])c1[O-]	ZINC000020111293	170997782	/nfs/dbraw/zinc/99/77/82/170997782.db2.gz	WVCHTEGJLJZQEH-VZUCSPMQSA-N	-2	3	290.297	-0.174	50	30		CBEAHL
O=C1[N-]C(=O)C(=N[N-]c2cc([N+](=O)[O-])ccc2[O-])C(=O)N1	ZINC000002135029	351307974	/nfs/dbraw/zinc/30/79/74/351307974.db2.gz	MOCCDYJPNJYYNS-UHFFFAOYSA-N	-3	3	293.195	-0.566	50	30	biogenic,in-vitro	CBEAHL
O=C([O-])C[C@H]1SC(N=Nc2csc(=O)[n-]2)NC1=O	ZINC000006361292	170195141	/nfs/dbraw/zinc/19/51/41/170195141.db2.gz	VRJACZTUBMVSDH-GSVOUGTGSA-N	-2	3	288.310	-0.181	50	30		CBEAHL
O=C([O-])C[C@@H]1SC(N=Nc2csc(=O)[n-]2)NC1=O	ZINC000006361290	170195303	/nfs/dbraw/zinc/19/53/03/170195303.db2.gz	VRJACZTUBMVSDH-VKHMYHEASA-N	-2	3	288.310	-0.181	50	30		CBEAHL
CCOC(=O)c1[n-]cnc1[N-]N=C(C#N)C(=O)NC	ZINC000000352395	351300303	/nfs/dbraw/zinc/30/03/03/351300303.db2.gz	HMCXDVLAEUYNOK-GIDUJCDVSA-N	-2	3	264.245	-0.376	50	30		CBEAHL