smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc32)c(O)c1	ZINC000005138657	204114438	/nfs/dbraw/zinc/11/44/38/204114438.db2.gz	BQGVCWLQFXUBCI-UHFFFAOYSA-N	0	3	379.441	4.209	10	10		GICEHN
Fc1cc(F)cc(-n2ncc3c2CCC[C@H]3NCc2ccc3c(c2)CCO3)c1	ZINC000011879596	204360785	/nfs/dbraw/zinc/36/07/85/204360785.db2.gz	XNPHZDNBXNGEGX-HXUWFJFHSA-N	0	3	381.426	4.253	10	10		GICEHN
Cc1ccc(O)c(CN2CCCn3cccc3[C@H]2c2ccc([N+](=O)[O-])cc2)c1	ZINC000036347788	205012836	/nfs/dbraw/zinc/01/28/36/205012836.db2.gz	NQCJWHFUYMEHAZ-JOCHJYFZSA-N	0	3	377.444	4.406	10	10		GICEHN
CC(=O)N(c1ccc(C)c(F)c1)C1CCN(Cc2ccc(N(C)C)cc2)CC1	ZINC000040415994	205065326	/nfs/dbraw/zinc/06/53/26/205065326.db2.gz	BEAGQLRPRHNCAC-UHFFFAOYSA-N	0	3	383.511	4.218	10	10		GICEHN
CC[NH+]1CCC2(CC1)N=C(c1ccc(C)c(C)c1)C[C@@H](c1ccccc1[O-])N2	ZINC000065297931	205228066	/nfs/dbraw/zinc/22/80/66/205228066.db2.gz	WDLRXANSAPFSJZ-QFIPXVFZSA-N	0	3	377.532	4.345	10	10		GICEHN
CC[NH+]1CCC2(CC1)N=C(c1ccc(C)c(C)c1)C[C@H](c1ccccc1[O-])N2	ZINC000065297933	205227409	/nfs/dbraw/zinc/22/74/09/205227409.db2.gz	WDLRXANSAPFSJZ-JOCHJYFZSA-N	0	3	377.532	4.345	10	10		GICEHN
Cc1ccc(O)c(CN2CCCn3cccc3[C@@H]2c2ccc([N+](=O)[O-])cc2)c1	ZINC000036347787	570630426	/nfs/dbraw/zinc/63/04/26/570630426.db2.gz	NQCJWHFUYMEHAZ-QFIPXVFZSA-N	0	3	377.444	4.406	10	10		GICEHN
CCOc1cccc(C[N@H+](CCc2ccccc2)C[C@@H]2CCCN(C)C2)c1[O-]	ZINC000011843894	221132603	/nfs/dbraw/zinc/13/26/03/221132603.db2.gz	HKDAWZYHOAOONS-OAQYLSRUSA-N	0	3	382.548	4.177	10	10		GICEHN
CCOc1cccc(C[N@@H+](CCc2ccccc2)C[C@@H]2CCCN(C)C2)c1[O-]	ZINC000011843894	221132606	/nfs/dbraw/zinc/13/26/06/221132606.db2.gz	HKDAWZYHOAOONS-OAQYLSRUSA-N	0	3	382.548	4.177	10	10		GICEHN