smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)C1=CNCCN1CC[NH2+]CC1	ZINC000019998030	210310803	/nfs/dbraw/zinc/31/08/03/210310803.db2.gz	CERHZYYCBWYYOM-SDNWHVSQSA-N	1	1	393.900	0.466	50	10		GCCAMO
CC[NH+](CC)CCNNC=C1C(=O)NC(=O)N(CCc2ccc(F)cc2)C1=O	ZINC000020391916	570254032	/nfs/dbraw/zinc/25/40/32/570254032.db2.gz	XSUJPMGGKYABEH-DTQAZKPQSA-N	1	1	391.447	0.971	50	10		GCCAMO
O=C1NC(=O)N(CCC2=CCCCC2)C(=O)C1=CNCCN1CC[NH2+]CC1	ZINC000022808810	570329627	/nfs/dbraw/zinc/32/96/27/570329627.db2.gz	ISKABIHTLJODFW-JQIJEIRASA-N	1	1	375.473	0.334	50	10		GCCAMO
O=S(=O)(N1CCOCC1)N1CC[NH+](Cc2cc3c(cc2O)CCC3)CC1	ZINC000032770256	570804348	/nfs/dbraw/zinc/80/43/48/570804348.db2.gz	MRCPOWIVXGSGJQ-UHFFFAOYSA-N	1	1	381.498	0.576	50	10		GCCAMO
Cn1c2c(ncn2C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c(=O)n(C)c1=O	ZINC000012555542	570858448	/nfs/dbraw/zinc/85/84/48/570858448.db2.gz	NWRXNQHXWLIOND-UHFFFAOYSA-N	1	1	398.467	0.360	50	10		GCCAMO
Cn1c2c(ncn2C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)c(=O)n(C)c1=O	ZINC000012555542	570858450	/nfs/dbraw/zinc/85/84/50/570858450.db2.gz	NWRXNQHXWLIOND-UHFFFAOYSA-N	1	1	398.467	0.360	50	10		GCCAMO
O=C1NC(=O)N(CCC2=CCCCC2)C(=O)C1=CNCCN1CC[NH2+]CC1	ZINC000101080222	211610116	/nfs/dbraw/zinc/61/01/16/211610116.db2.gz	ISKABIHTLJODFW-PEZBUJJGSA-N	1	1	375.473	0.334	50	10		GCCAMO
O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)C1=CNCCN1CC[NH2+]CC1	ZINC000020025217	210313191	/nfs/dbraw/zinc/31/31/91/210313191.db2.gz	MUPVLGUBNXLVDD-SDNWHVSQSA-N	1	1	393.900	0.466	50	10		GCCAMO
COc1ccc(OC)c(N2C(=O)C(=CNCCC[NH+](C)C)C(=O)NC2=S)c1	ZINC000019948939	207173450	/nfs/dbraw/zinc/17/34/50/207173450.db2.gz	IHXGTJLQVVXZHA-ACCUITESSA-N	1	1	392.481	0.877	50	10		GCCAMO
O=C(CN1C(=O)/C(=C/c2ccco2)SC1=S)N1CC[NH+](CCO)CC1	ZINC000054360893	531098311	/nfs/dbraw/zinc/09/83/11/531098311.db2.gz	BRHGEDBNDOFYRC-RAXLEYEMSA-N	1	1	381.479	0.617	50	10		GCCAMO
COc1ccc(OC)c(N2C(=O)C(=CNCC[NH+](C)C)C(=O)NC2=S)c1	ZINC000002306813	570466323	/nfs/dbraw/zinc/46/63/23/570466323.db2.gz	YODIXGDPJIREOO-ZRDIBKRKSA-N	1	1	378.454	0.487	50	10		GCCAMO
O=C1NC(=S)N(c2ccccc2Cl)C(=O)C1=CNCCN1CC[NH2+]CC1	ZINC000019997494	570234648	/nfs/dbraw/zinc/23/46/48/570234648.db2.gz	GYLVPDHNYOEFHT-VAWYXSNFSA-N	1	1	393.900	0.466	50	10		GCCAMO
CN1C(=O)C(=Cc2ccc(N3CC[NH+](C)CC3)c([N+](=O)[O-])c2)C(=O)N(C)C1=O	ZINC000004182393	570983194	/nfs/dbraw/zinc/98/31/94/570983194.db2.gz	LEZKPUQCKQHUGY-UHFFFAOYSA-N	1	1	387.396	0.780	50	10		GCCAMO