smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1ccc(CN=Nc2nc3c(ncnc3N)n2[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)cc1OC	ZINC000008964838	554839022	/nfs/dbraw/zinc/83/90/22/554839022.db2.gz	GKDZVBPYQKEXCY-VAVGXSBQSA-N	0	1	459.463	-0.127	40	30		JBEBMN
CCOc1ccc(CN=Nc2nc3c(ncnc3N)n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)cc1OC	ZINC000008964839	554839068	/nfs/dbraw/zinc/83/90/68/554839068.db2.gz	GKDZVBPYQKEXCY-ZHWKAMPYSA-N	0	1	459.463	-0.127	40	30		JBEBMN
CCOc1ccc(CN=Nc2nc3c(ncnc3N)n2[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)cc1OC	ZINC000008964840	554839027	/nfs/dbraw/zinc/83/90/27/554839027.db2.gz	GKDZVBPYQKEXCY-PHVKAOOGSA-N	0	1	459.463	-0.127	40	30		JBEBMN
CCOc1ccc(CN=Nc2nc3c(ncnc3N)n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)cc1OC	ZINC000008964841	554839040	/nfs/dbraw/zinc/83/90/40/554839040.db2.gz	GKDZVBPYQKEXCY-GYGFDHQGSA-N	0	1	459.463	-0.127	40	30		JBEBMN
COc1cc(C=NNc2nc3c(nc[nH]c3=O)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc(OC)c1OC	ZINC000016195193	521997221	/nfs/dbraw/zinc/99/72/21/521997221.db2.gz	IAEQAMXELCGPJJ-SCEBWWASSA-N	0	1	476.446	-0.797	40	30		JBEBMN
Nc1nc2c(nc(N=NCc3cc(Cl)ccc3O)n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000016384771	527559152	/nfs/dbraw/zinc/55/91/52/527559152.db2.gz	XHCIDKXBACFTAY-QVIKLYRBSA-N	0	1	451.827	-0.882	40	30		JBEBMN
Nc1nc2c(nc(N=NCc3cc(Cl)ccc3O)n2[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000016384774	527559797	/nfs/dbraw/zinc/55/97/97/527559797.db2.gz	XHCIDKXBACFTAY-PAKQFFLYSA-N	0	1	451.827	-0.882	40	30		JBEBMN
Nc1nc2c(nc(N=NCc3cc(Cl)ccc3O)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000016384777	556136876	/nfs/dbraw/zinc/13/68/76/556136876.db2.gz	XHCIDKXBACFTAY-YPUDUYLPSA-N	0	1	451.827	-0.882	40	30		JBEBMN
Nc1nc2c(nc(N=NCc3cc(Cl)ccc3O)n2[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000035183228	569677710	/nfs/dbraw/zinc/67/77/10/569677710.db2.gz	XHCIDKXBACFTAY-XYPHOQSOSA-N	0	1	451.827	-0.882	40	30		JBEBMN
Nc1nc2c(nc(N=NCc3cc(Cl)ccc3O)n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000035183229	569677834	/nfs/dbraw/zinc/67/78/34/569677834.db2.gz	XHCIDKXBACFTAY-IRJREVDPSA-N	0	1	451.827	-0.882	40	30		JBEBMN
Nc1nc2c(nc(N=NCc3cc(Cl)ccc3O)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000257346816	570151955	/nfs/dbraw/zinc/15/19/55/570151955.db2.gz	XHCIDKXBACFTAY-BNVKQDLYSA-N	0	1	451.827	-0.469	40	30		JBEBMN
Nc1nc2c(nc(N=NCc3cc(Cl)ccc3O)n2[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c(=O)[nH]1	ZINC000257346817	570151985	/nfs/dbraw/zinc/15/19/85/570151985.db2.gz	XHCIDKXBACFTAY-KDUYXKQBSA-N	0	1	451.827	-0.469	40	30		JBEBMN
Nc1nc2c(nc(N=NCc3cc(Cl)ccc3O)n2[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000257346818	570151971	/nfs/dbraw/zinc/15/19/71/570151971.db2.gz	XHCIDKXBACFTAY-PSSBNSSTSA-N	0	1	451.827	-0.469	40	30		JBEBMN