smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)CCSc1nc(-c2cccs2)cc(-c2cccc(SCC[NH+](C)C)c2)n1	ZINC000001614124	562923123	/nfs/dbraw/zinc/92/31/23/562923123.db2.gz	RKFHFYNMFSADFC-UHFFFAOYSA-N	1	3	444.695	5.180	10	0		IKAEHO
Clc1ccc2cc(CNC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)c(-c3ccsc3)nc2c1	ZINC000064031698	556822550	/nfs/dbraw/zinc/82/25/50/556822550.db2.gz	WAALMNOAZBPIHG-FDDCHVKYSA-N	1	3	426.029	5.971	10	0		IKAEHO
Clc1ccc2cc(CNC[C@@H]3CCC[N@H+]4CCCC[C@H]34)c(-c3ccsc3)nc2c1	ZINC000064031698	556822551	/nfs/dbraw/zinc/82/25/51/556822551.db2.gz	WAALMNOAZBPIHG-FDDCHVKYSA-N	1	3	426.029	5.971	10	0		IKAEHO
CC[N@@H+]1CCC[C@@H]1CNCc1c(C)n(Cc2ccc(Cl)cc2Cl)c2ccccc12	ZINC000022936882	557053014	/nfs/dbraw/zinc/05/30/14/557053014.db2.gz	GSYFIFFYTWWYDT-HXUWFJFHSA-N	1	3	430.423	5.879	10	0		IKAEHO
CC[N@H+]1CCC[C@@H]1CNCc1c(C)n(Cc2ccc(Cl)cc2Cl)c2ccccc12	ZINC000022936882	557053018	/nfs/dbraw/zinc/05/30/18/557053018.db2.gz	GSYFIFFYTWWYDT-HXUWFJFHSA-N	1	3	430.423	5.879	10	0		IKAEHO
CSc1ccc([C@@H]2CN(C)Cc3cc(OCCC[NH+]4CCC(F)CC4)ccc32)cc1	ZINC000028893119	563068606	/nfs/dbraw/zinc/06/86/06/563068606.db2.gz	ZYALYWXELCWDBL-VWLOTQADSA-N	1	3	428.617	5.189	10	0		IKAEHO
CC[N@@H+]1CCC[C@H]1CNCc1c(C)n(Cc2ccc(Cl)cc2Cl)c2ccccc12	ZINC000022936885	557053035	/nfs/dbraw/zinc/05/30/35/557053035.db2.gz	GSYFIFFYTWWYDT-FQEVSTJZSA-N	1	3	430.423	5.879	10	0		IKAEHO
CC[N@H+]1CCC[C@H]1CNCc1c(C)n(Cc2ccc(Cl)cc2Cl)c2ccccc12	ZINC000022936885	557053036	/nfs/dbraw/zinc/05/30/36/557053036.db2.gz	GSYFIFFYTWWYDT-FQEVSTJZSA-N	1	3	430.423	5.879	10	0		IKAEHO