smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(C=NNc2nc3c(c(=O)n(C)c(=O)n3C)n2C)cc(OC)c1OC	ZINC000006444969	560631698	/nfs/dbraw/zinc/63/16/98/560631698.db2.gz	MKYCANISFFYGDU-DJKKODMXSA-N	0	1	402.411	0.443	40	30		HCEBMN
Nc1ncnc2c1nc(NN=Cc1ccc(Cl)cc1)n2[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	ZINC000008740498	569061263	/nfs/dbraw/zinc/06/12/63/569061263.db2.gz	QXZWHITXPDXLPY-VZBWILMLSA-N	0	1	419.829	0.119	40	30		HCEBMN
Nc1ncnc2c1nc(NN=Cc1ccc(Cl)cc1)n2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	ZINC000008740499	527574815	/nfs/dbraw/zinc/57/48/15/527574815.db2.gz	QXZWHITXPDXLPY-ZHEUILPTSA-N	0	1	419.829	0.119	40	30		HCEBMN
Nc1ncnc2c1nc(NN=Cc1ccc(Cl)cc1)n2[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O	ZINC000008740500	569061253	/nfs/dbraw/zinc/06/12/53/569061253.db2.gz	QXZWHITXPDXLPY-IGXVVOMFSA-N	0	1	419.829	0.119	40	30		HCEBMN
Nc1ncnc2c1nc(NN=Cc1ccc(Cl)cc1)n2[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O	ZINC000008740501	569061267	/nfs/dbraw/zinc/06/12/67/569061267.db2.gz	QXZWHITXPDXLPY-AAJUCBQPSA-N	0	1	419.829	0.119	40	30		HCEBMN
Nc1ncnc2c1nc(N=NCc1ccccc1Cl)n2[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	ZINC000008740531	569061202	/nfs/dbraw/zinc/06/12/02/569061202.db2.gz	USIVRAOGSAJTAX-VZBWILMLSA-N	0	1	419.829	0.119	40	30		HCEBMN
Nc1ncnc2c1nc(N=NCc1ccccc1Cl)n2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	ZINC000008740532	527576661	/nfs/dbraw/zinc/57/66/61/527576661.db2.gz	USIVRAOGSAJTAX-ZHEUILPTSA-N	0	1	419.829	0.119	40	30		HCEBMN
Nc1ncnc2c1nc(N=NCc1ccccc1Cl)n2[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O	ZINC000008740533	569061220	/nfs/dbraw/zinc/06/12/20/569061220.db2.gz	USIVRAOGSAJTAX-IGXVVOMFSA-N	0	1	419.829	0.119	40	30		HCEBMN
Nc1ncnc2c1nc(N=NCc1ccccc1Cl)n2[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O	ZINC000008740534	569061256	/nfs/dbraw/zinc/06/12/56/569061256.db2.gz	USIVRAOGSAJTAX-AAJUCBQPSA-N	0	1	419.829	0.119	40	30		HCEBMN
COCCn1c(N=NC(C)c2cccc([N+](=O)[O-])c2)nc2c1c(=O)[nH]c(=O)n2C	ZINC000010103148	557854927	/nfs/dbraw/zinc/85/49/27/557854927.db2.gz	BHCWPCDXZCYNQE-KEBDBYFISA-N	0	1	401.383	0.814	40	30		HCEBMN
Cc1cc(C)nc(NC(=NCCc2c[nH+]c[nH]2)NC([O-])=CSc2nnnn2C)n1	ZINC000014729883	558665137	/nfs/dbraw/zinc/66/51/37/558665137.db2.gz	UGZWXFUYBZMHOH-UHFFFAOYSA-N	0	1	415.487	0.259	40	30		HCEBMN
O=[N+]([O-])c1cc(C=[NH+]Nc2nnn[n-]2)c(N2CCOCC2)cc1N1CCOCC1	ZINC000016383109	558789049	/nfs/dbraw/zinc/78/90/49/558789049.db2.gz	VJLSQIYEWYUOIG-GZTJUZNOSA-N	0	1	403.403	0.227	40	30		HCEBMN
O=[N+]([O-])c1cc(C=[NH+][N-]c2nn[nH]n2)c(N2CCOCC2)cc1N1CCOCC1	ZINC000016383109	558789047	/nfs/dbraw/zinc/78/90/47/558789047.db2.gz	VJLSQIYEWYUOIG-GZTJUZNOSA-N	0	1	403.403	0.227	40	30		HCEBMN
CC[N@H+]1CCC[C@H]1CN1CNC(=NS(=O)(=O)c2cccc3nsnc32)NC1	ZINC000040387497	558944434	/nfs/dbraw/zinc/94/44/34/558944434.db2.gz	BOJNDBNPPRMNFU-LBPRGKRZSA-N	0	1	409.541	0.630	40	30		HCEBMN
CC(=NN1CN([C@H](C)C(=O)[O-])P(N(CCO)CCO)[NH+]=C1N)c1cccs1	ZINC000301054516	568877979	/nfs/dbraw/zinc/87/79/79/568877979.db2.gz	YEGFCBABZPKRPS-ISZNTPMXSA-N	0	1	416.444	0.558	40	30		HCEBMN
CC(=NN1CN([C@@H](C)C(=O)[O-])P(N(CCO)CCO)[NH+]=C1N)c1cccs1	ZINC000301054517	568877970	/nfs/dbraw/zinc/87/79/70/568877970.db2.gz	YEGFCBABZPKRPS-ZPVYTRKOSA-N	0	1	416.444	0.558	40	30		HCEBMN
NC(=S)NNC=C1C(=O)NC(=S)N(c2ccc(Br)cc2)C1=O	ZINC000408740511	557806298	/nfs/dbraw/zinc/80/62/98/557806298.db2.gz	GQYIQKDPRDQZPI-PDMWYYABSA-N	0	1	400.283	0.632	40	30		HCEBMN
NC(=S)NNC=C1C(=O)NC(=S)N(c2ccc(Br)cc2)C1=O	ZINC000408740513	557806284	/nfs/dbraw/zinc/80/62/84/557806284.db2.gz	GQYIQKDPRDQZPI-SDUWKLLGSA-N	0	1	400.283	0.632	40	30		HCEBMN