smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCOc1ccc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)cc1Cl	ZINC000550607054	568077780	/nfs/dbraw/zinc/07/77/80/568077780.db2.gz	ZXCFVHBVMOXNNM-UHFFFAOYSA-N	2	0	372.940	5.035	20	30		FKEDRP
C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H](CCCC#N)c2ccccc2)CC1	ZINC000556203549	568440056	/nfs/dbraw/zinc/44/00/56/568440056.db2.gz	SAJZANXTQHXONP-OIBXWCBGSA-N	2	0	353.554	5.054	20	30		FKEDRP
C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H](CCCC#N)c2ccccc2)CC1	ZINC000556203550	568440078	/nfs/dbraw/zinc/44/00/78/568440078.db2.gz	SAJZANXTQHXONP-PTUXOGIPSA-N	2	0	353.554	5.054	20	30		FKEDRP
C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H](CCCC#N)c2ccccc2)CC1	ZINC000556203551	568440014	/nfs/dbraw/zinc/44/00/14/568440014.db2.gz	SAJZANXTQHXONP-UEVCKROQSA-N	2	0	353.554	5.054	20	30		FKEDRP
C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H](CCCC#N)c2ccccc2)CC1	ZINC000556203552	568440098	/nfs/dbraw/zinc/44/00/98/568440098.db2.gz	SAJZANXTQHXONP-WTIAFYNJSA-N	2	0	353.554	5.054	20	30		FKEDRP
N#CCCC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1	ZINC000559863666	568499986	/nfs/dbraw/zinc/49/99/86/568499986.db2.gz	KSRAOEQNASLWJB-JBXUNAHCSA-N	2	0	373.544	5.207	20	30		FKEDRP
N#CCCC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1	ZINC000559863673	568500020	/nfs/dbraw/zinc/50/00/20/568500020.db2.gz	KSRAOEQNASLWJB-NDBXHCKUSA-N	2	0	373.544	5.207	20	30		FKEDRP
N#CCCC[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1	ZINC000559863674	568500030	/nfs/dbraw/zinc/50/00/30/568500030.db2.gz	KSRAOEQNASLWJB-ZFFYZDHPSA-N	2	0	373.544	5.207	20	30		FKEDRP
N#CCCC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1	ZINC000559863675	568499995	/nfs/dbraw/zinc/49/99/95/568499995.db2.gz	KSRAOEQNASLWJB-ZKGSSEMHSA-N	2	0	373.544	5.207	20	30		FKEDRP