smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=C(Cl)C[NH+]1CCC(C[NH+]2CCCC2)CC1	ZINC000047971518	411170940	/nfs/dbraw/zinc/17/09/40/411170940.db2.gz	XTIMJHUTFFNUHO-UHFFFAOYSA-N	2	1	242.794	2.547	50	30		BFEAMP
C=C1CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1	ZINC000253418849	518663767	/nfs/dbraw/zinc/66/37/67/518663767.db2.gz	BBYZCFSLSJAGAR-CQSZACIVSA-N	2	1	222.376	2.513	50	30		BFEAMP
C=C1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)CC1	ZINC000253418849	518663773	/nfs/dbraw/zinc/66/37/73/518663773.db2.gz	BBYZCFSLSJAGAR-CQSZACIVSA-N	2	1	222.376	2.513	50	30		BFEAMP
C=CCC[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1	ZINC000097375018	166299881	/nfs/dbraw/zinc/29/98/81/166299881.db2.gz	TWRWFNYLGKPZCH-LBPRGKRZSA-N	2	1	222.376	2.558	50	30		BFEAMP
C=C(C)C[N@@H+](CC)C1CC[NH+](CCC)CC1	ZINC000000279659	355893603	/nfs/dbraw/zinc/89/36/03/355893603.db2.gz	CSYDINQCPOWTHV-UHFFFAOYSA-N	2	1	224.392	2.759	50	30		BFEAMP
C=C(C)C[N@H+](CC)C1CC[NH+](CCC)CC1	ZINC000000279659	355893610	/nfs/dbraw/zinc/89/36/10/355893610.db2.gz	CSYDINQCPOWTHV-UHFFFAOYSA-N	2	1	224.392	2.759	50	30		BFEAMP
C=CCC[C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1	ZINC000097375019	166293851	/nfs/dbraw/zinc/29/38/51/166293851.db2.gz	TWRWFNYLGKPZCH-GFCCVEGCSA-N	2	1	222.376	2.558	50	30		BFEAMP
CCCCCCCCCC[NH2+]CC[NH3+]	ZINC000100638283	384649329	/nfs/dbraw/zinc/64/93/29/384649329.db2.gz	YZPMGCUOUVFLJC-UHFFFAOYSA-N	2	1	200.370	2.675	50	30		BFEAMP
C=CC[NH+]1CCC([NH2+]CCC(C)(C)C)CC1	ZINC000187823581	166353757	/nfs/dbraw/zinc/35/37/57/166353757.db2.gz	NHYHOGBGXKFUSC-UHFFFAOYSA-N	2	1	224.392	2.663	50	30		BFEAMP
C=C(C)C[NH+]1CCC([NH2+]CCC(C)C)CC1	ZINC000190746286	387868972	/nfs/dbraw/zinc/86/89/72/387868972.db2.gz	XSXJYGWFUNBBEY-UHFFFAOYSA-N	2	1	224.392	2.663	50	30		BFEAMP
C=CC[NH+]1CCC([NH2+]C[C@H]2CC=CCC2)CC1	ZINC000095433983	166352155	/nfs/dbraw/zinc/35/21/55/166352155.db2.gz	RHJVZOBQRRZTMP-AWEZNQCLSA-N	2	1	234.387	2.583	50	30		BFEAMP
C=CC[NH+]1CCC([NH2+]C[C@@H]2CC=CCC2)CC1	ZINC000095433984	166353121	/nfs/dbraw/zinc/35/31/21/166353121.db2.gz	RHJVZOBQRRZTMP-CQSZACIVSA-N	2	1	234.387	2.583	50	30		BFEAMP
C=C1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1	ZINC000253418848	518663084	/nfs/dbraw/zinc/66/30/84/518663084.db2.gz	BBYZCFSLSJAGAR-AWEZNQCLSA-N	2	1	222.376	2.513	50	30		BFEAMP
C=C1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC1	ZINC000253418848	518663096	/nfs/dbraw/zinc/66/30/96/518663096.db2.gz	BBYZCFSLSJAGAR-AWEZNQCLSA-N	2	1	222.376	2.513	50	30		BFEAMP