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)[N@H+]1CC[C@H](C[NH2+]Cc2cc(I)cc(I)c2O)C1	ZINC000048277677	554321383	/nfs/dbraw/zinc/32/13/83/554321383.db2.gz	TXDBJGFDQCZZEZ-LLVKDONJSA-N	2	2	500.162	3.421	50	10		KGCALP
CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cc(I)cc(I)c2O)C1	ZINC000048277677	554321381	/nfs/dbraw/zinc/32/13/81/554321381.db2.gz	TXDBJGFDQCZZEZ-LLVKDONJSA-N	2	2	500.162	3.421	50	10		KGCALP
CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cc(I)cc(I)c2O)C1	ZINC000048277679	554321473	/nfs/dbraw/zinc/32/14/73/554321473.db2.gz	TXDBJGFDQCZZEZ-NSHDSACASA-N	2	2	500.162	3.421	50	10		KGCALP
CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(I)cc(I)c2O)C1	ZINC000048277679	554321471	/nfs/dbraw/zinc/32/14/71/554321471.db2.gz	TXDBJGFDQCZZEZ-NSHDSACASA-N	2	2	500.162	3.421	50	10		KGCALP
CC[NH+]1CCC(C[NH2+]Cc2cc(I)cc(I)c2O)CC1	ZINC000048311417	554321683	/nfs/dbraw/zinc/32/16/83/554321683.db2.gz	LLRPOJSALYBIOA-UHFFFAOYSA-N	2	2	500.162	3.423	50	10		KGCALP
CCC[N@H+]1CC[C@H](C[NH2+]Cc2cc(I)cc(I)c2O)C1	ZINC000048311421	554321753	/nfs/dbraw/zinc/32/17/53/554321753.db2.gz	XEZFUGYRFMKRIB-LLVKDONJSA-N	2	2	500.162	3.423	50	10		KGCALP
CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(I)cc(I)c2O)C1	ZINC000048311421	554321751	/nfs/dbraw/zinc/32/17/51/554321751.db2.gz	XEZFUGYRFMKRIB-LLVKDONJSA-N	2	2	500.162	3.423	50	10		KGCALP
CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(I)cc(I)c2O)C1	ZINC000048311422	554321782	/nfs/dbraw/zinc/32/17/82/554321782.db2.gz	XEZFUGYRFMKRIB-NSHDSACASA-N	2	2	500.162	3.423	50	10		KGCALP
CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(I)cc(I)c2O)C1	ZINC000048311422	554321778	/nfs/dbraw/zinc/32/17/78/554321778.db2.gz	XEZFUGYRFMKRIB-NSHDSACASA-N	2	2	500.162	3.423	50	10		KGCALP
CCN1CC[NH+](CCCC[NH2+]Cc2cc(I)cc(I)c2O)CC1	ZINC000252527833	572262518	/nfs/dbraw/zinc/26/25/18/572262518.db2.gz	DLWCFPQWLPJCBO-UHFFFAOYSA-N	2	2	543.231	3.109	50	10		KGCALP
CC[NH+]1CCN(C2CC[NH+](Cc3cc(I)cc(I)c3O)CC2)CC1	ZINC000252536602	572262765	/nfs/dbraw/zinc/26/27/65/572262765.db2.gz	IYJCAONWMLHATI-UHFFFAOYSA-N	2	2	555.242	3.203	50	10		KGCALP
Oc1c(I)cc(I)cc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1	ZINC000253397247	572284300	/nfs/dbraw/zinc/28/43/00/572284300.db2.gz	VLAOLFHJQRVMGQ-UHFFFAOYSA-N	2	2	542.199	3.146	50	10		KGCALP