smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(C(=O)[O-])ccc1NN=C1C(=O)NC(=O)NC1=O	ZINC000008727961	301155638	/nfs/dbraw/zinc/15/56/38/301155638.db2.gz	UYDPPTWRMQLQID-UHFFFAOYSA-N	-1	2	290.235	-0.173	40	30		CBEBLM
O=c1nc2[n-]c(N=NCc3ccccc3)nnc-2c(=O)[nH]1	ZINC000006565684	170213751	/nfs/dbraw/zinc/21/37/51/170213751.db2.gz	NALSCRSNJFBRLT-AWNIVKPZSA-N	-1	2	283.251	-0.153	40	30		CBEBLM
N#Cc1cn([C@H](Cc2c[nH+]c[nH]2)C(=O)[O-])c(=O)[n-]c1=O	ZINC000585090168	570322282	/nfs/dbraw/zinc/32/22/82/570322282.db2.gz	XHDJLVSLZQIQQB-MRVPVSSYSA-N	-1	2	275.224	-0.588	40	30		CBEBLM
N#Cc1cn([C@H](Cc2c[nH]c[nH+]2)C(=O)[O-])c(=O)[n-]c1=O	ZINC000585090168	570322284	/nfs/dbraw/zinc/32/22/84/570322284.db2.gz	XHDJLVSLZQIQQB-MRVPVSSYSA-N	-1	2	275.224	-0.588	40	30		CBEBLM
NC1=NC(=O)NC(=O)C1=NNc1ccc(C(=O)[O-])cc1	ZINC000102568504	303359976	/nfs/dbraw/zinc/35/99/76/303359976.db2.gz	WLXNQVQSWJVEAO-APSNUPSMSA-N	-1	2	275.224	-0.036	40	30		CBEBLM
O=C1c2ccccc2C([O-])=C1C1(O)C(=O)NC(=O)NC1=O	ZINC000059488892	419461193	/nfs/dbraw/zinc/46/11/93/419461193.db2.gz	VXOWZABSXVVRQU-UHFFFAOYSA-N	-1	2	288.215	-0.751	40	30		CBEBLM
N#Cc1cn([C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])c(=O)[n-]c1=O	ZINC000585090169	570322274	/nfs/dbraw/zinc/32/22/74/570322274.db2.gz	XHDJLVSLZQIQQB-QMMMGPOBSA-N	-1	2	275.224	-0.588	40	30		CBEBLM
N#Cc1cn([C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])c(=O)[n-]c1=O	ZINC000585090169	570322276	/nfs/dbraw/zinc/32/22/76/570322276.db2.gz	XHDJLVSLZQIQQB-QMMMGPOBSA-N	-1	2	275.224	-0.588	40	30		CBEBLM
O=c1nc2[n-]c(NN=Cc3ccco3)nnc-2c(=O)[nH]1	ZINC000005555105	170112909	/nfs/dbraw/zinc/11/29/09/170112909.db2.gz	VNFNYPYNAMUXGX-WCIBSUBMSA-N	-1	2	273.212	-0.560	40	30		CBEBLM
O=c1nc2nc(NN=Cc3ccccc3O)[n-]nc-2c(=O)[nH]1	ZINC000006694607	326819155	/nfs/dbraw/zinc/81/91/55/326819155.db2.gz	GYPJNWCBCSEEDT-WLRTZDKTSA-N	-1	2	299.250	-0.447	40	30		CBEBLM
Cc1nc2ccccc2c(=O)n1/N=C1/C(=O)[N-]C(=O)NC1=O	ZINC000016363337	351343923	/nfs/dbraw/zinc/34/39/23/351343923.db2.gz	OJJURLJJBWHIMA-UHFFFAOYSA-N	-1	2	299.246	-0.521	40	30		CBEBLM
Cc1nc2ccccc2c(=O)n1/N=C1\C(=O)[N-]C(=O)NC1=O	ZINC000016363337	351343927	/nfs/dbraw/zinc/34/39/27/351343927.db2.gz	OJJURLJJBWHIMA-UHFFFAOYSA-N	-1	2	299.246	-0.521	40	30		CBEBLM
Cc1cccc(NN=C2C(=O)NC(=O)NC2=O)c1C(=O)[O-]	ZINC000008727890	302004784	/nfs/dbraw/zinc/00/47/84/302004784.db2.gz	ZYOVEGCXVLHHNZ-UHFFFAOYSA-N	-1	2	290.235	-0.173	40	30		CBEBLM