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)[C@H](N)C(=O)NCC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12	ZINC000217485939	220236282	/nfs/dbraw/zinc/23/62/82/220236282.db2.gz	WAQJXYMAYJBAAE-OBJOEFQTSA-N	1	3	296.415	-0.171	20	70		CBIDHO
CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12	ZINC000217485939	220236286	/nfs/dbraw/zinc/23/62/86/220236286.db2.gz	WAQJXYMAYJBAAE-OBJOEFQTSA-N	1	3	296.415	-0.171	20	70		CBIDHO
C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1	ZINC000160640828	207393087	/nfs/dbraw/zinc/39/30/87/207393087.db2.gz	KEKXLJMALRGTSN-NWDGAFQWSA-N	1	3	282.388	-0.783	20	70		CBIDHO
C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1	ZINC000160640561	207391769	/nfs/dbraw/zinc/39/17/69/207391769.db2.gz	KEKXLJMALRGTSN-VXGBXAGGSA-N	1	3	282.388	-0.783	20	70		CBIDHO
C[C@@H](CN1CCCCC1)NC(=O)[C@H]1C[C@@H](O)C[NH2+]1	ZINC000217707664	372869092	/nfs/dbraw/zinc/86/90/92/372869092.db2.gz	GKSVFZVTUAHXEK-QJPTWQEYSA-N	1	3	255.362	-0.300	20	70		CBIDHO
CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12	ZINC000217485859	220236052	/nfs/dbraw/zinc/23/60/52/220236052.db2.gz	WAQJXYMAYJBAAE-DYEKYZERSA-N	1	3	296.415	-0.171	20	70		CBIDHO
CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12	ZINC000217485859	220236056	/nfs/dbraw/zinc/23/60/56/220236056.db2.gz	WAQJXYMAYJBAAE-DYEKYZERSA-N	1	3	296.415	-0.171	20	70		CBIDHO
C[NH2+][C@H]1CCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1	ZINC000160640938	277042172	/nfs/dbraw/zinc/04/21/72/277042172.db2.gz	KEKXLJMALRGTSN-RYUDHWBXSA-N	1	3	282.388	-0.783	20	70		CBIDHO
O=C(C[C@H]1CC[NH2+]C1)NC[C@H]1CN2CCC[C@@H]2CO1	ZINC000217768866	582128031	/nfs/dbraw/zinc/12/80/31/582128031.db2.gz	YGXYLVYDNANMPE-UPJWGTAASA-N	1	3	267.373	-0.035	20	70		CBIDHO
CC(C)C[C@@H](CN(C)C)NC(=O)[C@H]1C[C@@H](O)C[NH2+]1	ZINC000217721399	372868296	/nfs/dbraw/zinc/86/82/96/372868296.db2.gz	VHMRMAVFDGKQLB-QJPTWQEYSA-N	1	3	257.378	-0.198	20	70		CBIDHO
C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1	ZINC000160640688	207392634	/nfs/dbraw/zinc/39/26/34/207392634.db2.gz	KEKXLJMALRGTSN-NEPJUHHUSA-N	1	3	282.388	-0.783	20	70		CBIDHO
O[C@H](C[NH2+]C[C@H]1CCN(C2CC2)C1)CN1CCOCC1	ZINC000217387666	582128026	/nfs/dbraw/zinc/12/80/26/582128026.db2.gz	GXPFBIYMZJFGOE-UKRRQHHQSA-N	1	3	283.416	-0.247	20	70		CBIDHO
O[C@H](CNC[C@H]1CC[N@@H+](C2CC2)C1)CN1CCOCC1	ZINC000217387666	582128027	/nfs/dbraw/zinc/12/80/27/582128027.db2.gz	GXPFBIYMZJFGOE-UKRRQHHQSA-N	1	3	283.416	-0.247	20	70		CBIDHO
O[C@H](CNC[C@H]1CC[N@H+](C2CC2)C1)CN1CCOCC1	ZINC000217387666	582128028	/nfs/dbraw/zinc/12/80/28/582128028.db2.gz	GXPFBIYMZJFGOE-UKRRQHHQSA-N	1	3	283.416	-0.247	20	70		CBIDHO
C[C@H](CNC(=O)c1cn(CC[NH3+])nn1)N1CCCC1	ZINC000161073651	544475549	/nfs/dbraw/zinc/47/55/49/544475549.db2.gz	GMHUPRDJSDCMIZ-SNVBAGLBSA-N	1	3	266.349	-0.549	20	70		CBIDHO
C[C@@H](CNC(=O)c1cn(CC[NH3+])nn1)N1CCCC1	ZINC000161073524	544476446	/nfs/dbraw/zinc/47/64/46/544476446.db2.gz	GMHUPRDJSDCMIZ-JTQLQIEISA-N	1	3	266.349	-0.549	20	70		CBIDHO
O[C@H](C[NH2+]C[C@@H]1CCN(C2CC2)C1)CN1CCOCC1	ZINC000217387578	582127970	/nfs/dbraw/zinc/12/79/70/582127970.db2.gz	GXPFBIYMZJFGOE-DZGCQCFKSA-N	1	3	283.416	-0.247	20	70		CBIDHO
O[C@H](CNC[C@@H]1CC[N@@H+](C2CC2)C1)CN1CCOCC1	ZINC000217387578	582127972	/nfs/dbraw/zinc/12/79/72/582127972.db2.gz	GXPFBIYMZJFGOE-DZGCQCFKSA-N	1	3	283.416	-0.247	20	70		CBIDHO
O[C@H](CNC[C@@H]1CC[N@H+](C2CC2)C1)CN1CCOCC1	ZINC000217387578	582127974	/nfs/dbraw/zinc/12/79/74/582127974.db2.gz	GXPFBIYMZJFGOE-DZGCQCFKSA-N	1	3	283.416	-0.247	20	70		CBIDHO
O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@H]1C[C@H](O)CN1	ZINC000217810596	352234090	/nfs/dbraw/zinc/23/40/90/352234090.db2.gz	IKENJHYZPILXDX-QCNOEVLYSA-N	1	3	253.346	-0.548	20	70		CBIDHO
O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@H]1C[C@H](O)CN1	ZINC000217810596	352234094	/nfs/dbraw/zinc/23/40/94/352234094.db2.gz	IKENJHYZPILXDX-QCNOEVLYSA-N	1	3	253.346	-0.548	20	70		CBIDHO
O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@H]1C[C@@H](O)CN1	ZINC000217810689	352234397	/nfs/dbraw/zinc/23/43/97/352234397.db2.gz	IKENJHYZPILXDX-KKOKHZNYSA-N	1	3	253.346	-0.548	20	70		CBIDHO
O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@H]1C[C@@H](O)CN1	ZINC000217810689	352234399	/nfs/dbraw/zinc/23/43/99/352234399.db2.gz	IKENJHYZPILXDX-KKOKHZNYSA-N	1	3	253.346	-0.548	20	70		CBIDHO
O=C(C[C@H]1CC[NH2+]C1)NC[C@@H]1CN2CCC[C@@H]2CO1	ZINC000217768795	582128057	/nfs/dbraw/zinc/12/80/57/582128057.db2.gz	YGXYLVYDNANMPE-JHJVBQTASA-N	1	3	267.373	-0.035	20	70		CBIDHO