smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COCCN(CC(=O)N1N=C(c2cccn2C)C[C@H]1c1ccc(Cl)cc1)C(=O)COC	ZINC000035962115	523653306	/nfs/dbraw/zinc/65/33/06/523653306.db2.gz	VEFGKAWBXHLTPO-FQEVSTJZSA-N	0	0	446.935	2.478	10	10		IECERN
CCC(=O)N(CCOC)CC(=O)N1N=C(c2cccn2C)C[C@H]1c1ccc2c(c1)OCO2	ZINC000050331529	557376419	/nfs/dbraw/zinc/37/64/19/557376419.db2.gz	FYCSZFKYPFVUBL-IBGZPJMESA-N	0	0	440.500	2.317	10	10		IECERN
CCC(=O)N(CCOC)CC(=O)N1N=C(c2cccn2C)C[C@@H]1c1ccc2c(c1)OCO2	ZINC000050331530	557376269	/nfs/dbraw/zinc/37/62/69/557376269.db2.gz	FYCSZFKYPFVUBL-LJQANCHMSA-N	0	0	440.500	2.317	10	10		IECERN
CC(C)C[C@@]1(C(=O)[O-])[NH2+][C@@H](c2ccc(O)cc2O)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21	ZINC000020506804	519284849	/nfs/dbraw/zinc/28/48/49/519284849.db2.gz	OEIHHDMEOYINQS-CMCWBKRRSA-N	0	0	438.480	2.413	10	10		IECERN
COc1cc(-c2nc3s/c(=C/c4ccc(N(C)C)cc4)c(=O)n3n2)cc(OC)c1OC	ZINC000002233670	555760460	/nfs/dbraw/zinc/76/04/60/555760460.db2.gz	PPXLBOUVBSWOJF-VCHYOVAHSA-N	0	0	438.509	2.458	10	10		IECERN
CCOc1cc(C=C2C(=O)NC(=S)N(C)C2=O)cc(I)c1O	ZINC000038179156	556612347	/nfs/dbraw/zinc/61/23/47/556612347.db2.gz	HAEUAIFJSIBSJI-XBXARRHUSA-N	0	0	432.239	2.492	10	10		IECERN
COCCN(CC(=O)N1N=C(c2cccn2C)C[C@@H]1c1ccc(Cl)cc1)C(=O)COC	ZINC000035962116	523652564	/nfs/dbraw/zinc/65/25/64/523652564.db2.gz	VEFGKAWBXHLTPO-HXUWFJFHSA-N	0	0	446.935	2.478	10	10		IECERN
O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)SC(=S)N1NC1=NS(=O)(=O)c2ccccc21	ZINC000020530782	526941584	/nfs/dbraw/zinc/94/15/84/526941584.db2.gz	UILBDULJGLLNTA-LCYFTJDESA-N	0	0	446.491	2.450	10	10		IECERN
CC(C)C[C@]1(C(=O)[O-])[NH2+][C@@H](c2ccc(O)cc2O)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21	ZINC000020506806	519422648	/nfs/dbraw/zinc/42/26/48/519422648.db2.gz	OEIHHDMEOYINQS-VKDGWMQASA-N	0	0	438.480	2.413	10	10		IECERN