smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Clc1ccc2cc(C[NH2+]C[C@@H]3CCC[N@H+]4CCCC[C@H]34)c(-c3ccsc3)nc2c1	ZINC000064031698	556822548	/nfs/dbraw/zinc/82/25/48/556822548.db2.gz	WAALMNOAZBPIHG-FDDCHVKYSA-N	2	1	426.029	5.971	10	0		IKAEMP
CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1c(C)n(Cc2ccc(Cl)cc2Cl)c2ccccc12	ZINC000022936882	557053008	/nfs/dbraw/zinc/05/30/08/557053008.db2.gz	GSYFIFFYTWWYDT-HXUWFJFHSA-N	2	1	430.423	5.879	10	0		IKAEMP
CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1c(C)n(Cc2ccc(Cl)cc2Cl)c2ccccc12	ZINC000022936882	557053011	/nfs/dbraw/zinc/05/30/11/557053011.db2.gz	GSYFIFFYTWWYDT-HXUWFJFHSA-N	2	1	430.423	5.879	10	0		IKAEMP
CSc1ccc([C@@H]2C[N@@H+](C)Cc3cc(OCCC[NH+]4CCC(F)CC4)ccc32)cc1	ZINC000028893119	563068605	/nfs/dbraw/zinc/06/86/05/563068605.db2.gz	ZYALYWXELCWDBL-VWLOTQADSA-N	2	1	428.617	5.189	10	0		IKAEMP
CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1c(C)n(Cc2ccc(Cl)cc2Cl)c2ccccc12	ZINC000022936885	557053033	/nfs/dbraw/zinc/05/30/33/557053033.db2.gz	GSYFIFFYTWWYDT-FQEVSTJZSA-N	2	1	430.423	5.879	10	0		IKAEMP
CC[N@H+]1CCC[C@H]1C[NH2+]Cc1c(C)n(Cc2ccc(Cl)cc2Cl)c2ccccc12	ZINC000022936885	557053034	/nfs/dbraw/zinc/05/30/34/557053034.db2.gz	GSYFIFFYTWWYDT-FQEVSTJZSA-N	2	1	430.423	5.879	10	0		IKAEMP
c1csc(C[N@H+]2CCOc3ccc(C[NH+]4CCC(OCc5ccccc5)CC4)cc3C2)c1	ZINC000012332135	526581247	/nfs/dbraw/zinc/58/12/47/526581247.db2.gz	QDDINGRNMOPGTN-UHFFFAOYSA-N	2	1	448.632	5.324	10	0		IKAEMP
c1csc(C[N@@H+]2CCOc3ccc(C[NH+]4CCC(OCc5ccccc5)CC4)cc3C2)c1	ZINC000012332135	526581251	/nfs/dbraw/zinc/58/12/51/526581251.db2.gz	QDDINGRNMOPGTN-UHFFFAOYSA-N	2	1	448.632	5.324	10	0		IKAEMP
C[NH+](C)[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2)C[C@@H]1CCC(=O)Nc1ccc(F)cc1	ZINC000015008048	556482357	/nfs/dbraw/zinc/48/23/57/556482357.db2.gz	VZWZAIFQLGCGNI-JYFHCDHNSA-N	2	1	433.571	5.150	10	0		IKAEMP
C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2)C[C@@H]1CCC(=O)Nc1ccc(F)cc1	ZINC000015008048	556482359	/nfs/dbraw/zinc/48/23/59/556482359.db2.gz	VZWZAIFQLGCGNI-JYFHCDHNSA-N	2	1	433.571	5.150	10	0		IKAEMP
CC[C@H]1C[N@H+]2CCc3c4ccccc4[nH]c3[C@@H]2C[C@@H]1C[C@H]1[NH2+]CCc2c3ccccc3[nH]c21	ZINC000004097964	560195112	/nfs/dbraw/zinc/19/51/12/560195112.db2.gz	BYHWAEAVIGYEBJ-QJTMEEEXSA-N	2	1	438.619	5.872	10	0	in-vitro	IKAEMP