smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)N1C(=O)C(=CNc2ccc3c(c2)CC2(C(=O)[N-]C(=O)NC2=O)[C@H]2CN(C)CCN32)C(=O)[N-]C1=S	ZINC000009429318	553260806	/nfs/dbraw/zinc/26/08/06/553260806.db2.gz	CCABLJOYUQGDHV-XBNGYDHASA-N	-2	3	525.591	0.074	50	10		KCCAHL
O=C1[N-]C(=S)NC(=O)C1=Cc1ccccc1OCOc1ccccc1C=C1C(=O)[N-]C(=S)NC1=O	ZINC000016449486	553565168	/nfs/dbraw/zinc/56/51/68/553565168.db2.gz	GCGCWOZRLGWYQP-UHFFFAOYSA-N	-2	3	508.537	0.931	50	10		KCCAHL
CCN1C(=O)[N-]C(=O)C(=CNc2ccc3c(c2)CC2(C(=O)[N-]C(=O)NC2=O)[C@H]2CN(c4ccccc4)CCN32)C1=O	ZINC000097968240	553929666	/nfs/dbraw/zinc/92/96/66/553929666.db2.gz	GOGQTZPRLPFDGN-CKNGIZQFSA-N	-2	3	557.567	0.684	50	10		KCCAHL
CCN1C(=O)[N-]C(=O)C(=CNc2ccc3c(c2)CC2(C(=O)[N-]C(=O)NC2=O)[C@@H]2CN(c4ccccc4)CCN32)C1=O	ZINC000097968241	553929600	/nfs/dbraw/zinc/92/96/00/553929600.db2.gz	GOGQTZPRLPFDGN-CURYZJDOSA-N	-2	3	557.567	0.684	50	10		KCCAHL
CN1C(=O)[N-]C(=O)C(=CNc2ccc3c(c2)CC2(C(=O)[N-]C(=O)NC2=O)[C@H]2CN(c4ccccc4)CCN32)C1=O	ZINC000097968361	553931323	/nfs/dbraw/zinc/93/13/23/553931323.db2.gz	NWFTXQGLTACDOM-MTGKDYNDSA-N	-2	3	543.540	0.294	50	10		KCCAHL
CN1C(=O)[N-]C(=O)C(=CNc2ccc3c(c2)CC2(C(=O)[N-]C(=O)NC2=O)[C@@H]2CN(c4ccccc4)CCN32)C1=O	ZINC000097968362	553931520	/nfs/dbraw/zinc/93/15/20/553931520.db2.gz	NWFTXQGLTACDOM-LVSKKATPSA-N	-2	3	543.540	0.294	50	10		KCCAHL
CCCCN1C(=O)[N-]C(=O)C(=CNc2ccc3c(c2)CC2(C(=O)[N-]C(=O)NC2=O)[C@H]2CN(CC)CCN32)C1=O	ZINC000097968365	553931242	/nfs/dbraw/zinc/93/12/42/553931242.db2.gz	NEYWPSYGDSLFNS-BLMOFCDVSA-N	-2	3	537.577	0.280	50	10		KCCAHL
CCCCN1C(=O)[N-]C(=O)C(=CNc2ccc3c(c2)CC2(C(=O)[N-]C(=O)NC2=O)[C@@H]2CN(CC)CCN32)C1=O	ZINC000097968366	553931664	/nfs/dbraw/zinc/93/16/64/553931664.db2.gz	NEYWPSYGDSLFNS-LYDJUCFBSA-N	-2	3	537.577	0.280	50	10		KCCAHL
CN1C(=O)[N-]C(=O)C(=CNc2ccc3c(c2)CC2(C(=O)[N-]C(=O)NC2=O)[C@H]2CN(Cc4ccccc4)CCN32)C1=O	ZINC000097968367	553931261	/nfs/dbraw/zinc/93/12/61/553931261.db2.gz	IFCDDDNTYOOPSP-CNSVBDKNSA-N	-2	3	557.567	0.290	50	10		KCCAHL
CN1C(=O)[N-]C(=O)C(=CNc2ccc3c(c2)CC2(C(=O)[N-]C(=O)NC2=O)[C@@H]2CN(Cc4ccccc4)CCN32)C1=O	ZINC000097968368	553931311	/nfs/dbraw/zinc/93/13/11/553931311.db2.gz	IFCDDDNTYOOPSP-FNGUVFISSA-N	-2	3	557.567	0.290	50	10		KCCAHL
CCN1C(=O)[N-]C(=O)C(=CNc2ccc3c(c2)CC2(C(=O)[N-]C(=O)NC2=O)[C@H]2CN(c4ccccc4)CCN32)C1=O	ZINC000100961829	554542760	/nfs/dbraw/zinc/54/27/60/554542760.db2.gz	GOGQTZPRLPFDGN-LUDQZLGDSA-N	-2	3	557.567	0.684	50	10		KCCAHL
CCN1C(=O)[N-]C(=O)C(=CNc2ccc3c(c2)CC2(C(=O)[N-]C(=O)NC2=O)[C@@H]2CN(c4ccccc4)CCN32)C1=O	ZINC000100961833	554542794	/nfs/dbraw/zinc/54/27/94/554542794.db2.gz	GOGQTZPRLPFDGN-PHJXOXRPSA-N	-2	3	557.567	0.684	50	10		KCCAHL
CN1C(=O)[N-]C(=O)C(=CNc2ccc3c(c2)CC2(C(=O)[N-]C(=O)NC2=O)[C@H]2CN(c4ccccc4)CCN32)C1=O	ZINC000100962627	554542832	/nfs/dbraw/zinc/54/28/32/554542832.db2.gz	NWFTXQGLTACDOM-ITICKHJUSA-N	-2	3	543.540	0.294	50	10		KCCAHL
CN1C(=O)[N-]C(=O)C(=CNc2ccc3c(c2)CC2(C(=O)[N-]C(=O)NC2=O)[C@@H]2CN(c4ccccc4)CCN32)C1=O	ZINC000100962632	554542738	/nfs/dbraw/zinc/54/27/38/554542738.db2.gz	NWFTXQGLTACDOM-ZPBCLNFZSA-N	-2	3	543.540	0.294	50	10		KCCAHL
CN1C(=O)[N-]C(=O)C(=CNc2ccc3c(c2)CC2(C(=O)[N-]C(=O)NC2=O)[C@H]2CN(Cc4ccccc4)CCN32)C1=O	ZINC000100962729	554542708	/nfs/dbraw/zinc/54/27/08/554542708.db2.gz	IFCDDDNTYOOPSP-UBXANZILSA-N	-2	3	557.567	0.290	50	10		KCCAHL
CN1C(=O)[N-]C(=O)C(=CNc2ccc3c(c2)CC2(C(=O)[N-]C(=O)NC2=O)[C@@H]2CN(Cc4ccccc4)CCN32)C1=O	ZINC000100962737	554542695	/nfs/dbraw/zinc/54/26/95/554542695.db2.gz	IFCDDDNTYOOPSP-YMFQVDJJSA-N	-2	3	557.567	0.290	50	10		KCCAHL