smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN(CC)c1ccc(N=Nc2n[nH]c3ccccc32)cc1	ZINC000005114764	170067347	/nfs/dbraw/zinc/06/73/47/170067347.db2.gz	FKJXEQVPDULPEI-ZZEZOPTASA-N	0	1	293.374	4.825	10	10		CJCEMN
C[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])c1ccc(Cl)cc1	ZINC000020121981	171001753	/nfs/dbraw/zinc/00/17/53/171001753.db2.gz	YZMRYMHXCHRHNK-SNVBAGLBSA-N	0	1	296.197	4.550	10	10		CJCEMN
C[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])c1ccc(Cl)cc1	ZINC000020121982	171002116	/nfs/dbraw/zinc/00/21/16/171002116.db2.gz	YZMRYMHXCHRHNK-JTQLQIEISA-N	0	1	296.197	4.550	10	10		CJCEMN
C[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])c1cccc(Cl)c1	ZINC000020124277	171006126	/nfs/dbraw/zinc/00/61/26/171006126.db2.gz	AZKHOSSLDBIWNO-JTQLQIEISA-N	0	1	296.197	4.550	10	10		CJCEMN
C[C@H]([NH2+][C@H]1CCCC[C@@H]1C)c1ccc2ccccc2c1[O-]	ZINC000021011296	171287269	/nfs/dbraw/zinc/28/72/69/171287269.db2.gz	CLBVHJRLECQPOZ-DEYYWGMASA-N	0	1	283.415	4.775	10	10		CJCEMN
C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C)c1ccc2ccccc2c1[O-]	ZINC000021011299	171287320	/nfs/dbraw/zinc/28/73/20/171287320.db2.gz	CLBVHJRLECQPOZ-SUNYJGFJSA-N	0	1	283.415	4.775	10	10		CJCEMN
C[C@H]([NH2+]C1CCC(C)CC1)c1ccc2ccccc2c1[O-]	ZINC000021034495	171292276	/nfs/dbraw/zinc/29/22/76/171292276.db2.gz	VFVAFANHMBQSTM-BBBYJDLNSA-N	0	1	283.415	4.775	10	10		CJCEMN
C[C@@H]([NH2+]C1CCC(C)CC1)c1ccc2ccccc2c1[O-]	ZINC000021034503	171292187	/nfs/dbraw/zinc/29/21/87/171292187.db2.gz	VFVAFANHMBQSTM-NPCAHTBFSA-N	0	1	283.415	4.775	10	10		CJCEMN
[O-]c1ccc2ccccc2c1C[NH2+]C1CCCCCCC1	ZINC000021036004	171292258	/nfs/dbraw/zinc/29/22/58/171292258.db2.gz	ATTSIIVNISHAGX-UHFFFAOYSA-N	0	1	283.415	4.748	10	10		CJCEMN
C[C@H]([NH2+][C@@H](C)c1ccc2ccccc2c1[O-])c1ccco1	ZINC000035739015	172393616	/nfs/dbraw/zinc/39/36/16/172393616.db2.gz	FSTDAJFMBDCFFH-STQMWFEESA-N	0	1	281.355	4.550	10	10		CJCEMN
C[C@@H]([NH2+][C@@H](C)c1ccco1)c1ccc2ccccc2c1[O-]	ZINC000035739016	172393537	/nfs/dbraw/zinc/39/35/37/172393537.db2.gz	FSTDAJFMBDCFFH-OLZOCXBDSA-N	0	1	281.355	4.550	10	10		CJCEMN
C[C@@H]([NH2+][C@@H](C)c1ccc2ccccc2c1[O-])c1ccco1	ZINC000035739017	172393350	/nfs/dbraw/zinc/39/33/50/172393350.db2.gz	FSTDAJFMBDCFFH-QWHCGFSZSA-N	0	1	281.355	4.550	10	10		CJCEMN
C[C@@H]([NH2+][C@H](C)c1ccc2ccccc2c1[O-])c1ccco1	ZINC000035739018	172393426	/nfs/dbraw/zinc/39/34/26/172393426.db2.gz	FSTDAJFMBDCFFH-CHWSQXEVSA-N	0	1	281.355	4.550	10	10		CJCEMN
[O-]c1ccc2ccccc2c1C[NH2+]CCC1CCCCC1	ZINC000045316868	175357810	/nfs/dbraw/zinc/35/78/10/175357810.db2.gz	DPZRVUMJYWLZOK-UHFFFAOYSA-N	0	1	283.415	4.605	10	10		CJCEMN
C[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])c1cccs1	ZINC000184860590	327834323	/nfs/dbraw/zinc/83/43/23/327834323.db2.gz	AQAHUOLIFSCBKX-UWVGGRQHSA-N	0	1	281.808	4.519	10	10		CJCEMN
C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])c1cccs1	ZINC000184860608	327834395	/nfs/dbraw/zinc/83/43/95/327834395.db2.gz	AQAHUOLIFSCBKX-VHSXEESVSA-N	0	1	281.808	4.519	10	10		CJCEMN
C[C@@H]([NH2+][C@@H](C)c1cccs1)c1cc(Cl)ccc1[O-]	ZINC000184860627	327834230	/nfs/dbraw/zinc/83/42/30/327834230.db2.gz	AQAHUOLIFSCBKX-ZJUUUORDSA-N	0	1	281.808	4.519	10	10		CJCEMN
C[C@@H]([NH2+][C@H](C)c1cc(Cl)ccc1[O-])c1cccs1	ZINC000184860648	327834288	/nfs/dbraw/zinc/83/42/88/327834288.db2.gz	AQAHUOLIFSCBKX-NXEZZACHSA-N	0	1	281.808	4.519	10	10		CJCEMN
Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])o1	ZINC000192736229	227285242	/nfs/dbraw/zinc/28/52/42/227285242.db2.gz	JJHZNGBSHGCSOD-UONOGXRCSA-N	0	1	295.382	4.859	10	10		CJCEMN
Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])o1	ZINC000192736239	227285551	/nfs/dbraw/zinc/28/55/51/227285551.db2.gz	JJHZNGBSHGCSOD-KBPBESRZSA-N	0	1	295.382	4.859	10	10		CJCEMN
Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc3ccccc3c2[O-])o1	ZINC000192736254	227284912	/nfs/dbraw/zinc/28/49/12/227284912.db2.gz	JJHZNGBSHGCSOD-ZIAGYGMSSA-N	0	1	295.382	4.859	10	10		CJCEMN
Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc3ccccc3c2[O-])o1	ZINC000192736267	227286329	/nfs/dbraw/zinc/28/63/29/227286329.db2.gz	JJHZNGBSHGCSOD-KGLIPLIRSA-N	0	1	295.382	4.859	10	10		CJCEMN
O=c1ccn(-c2ccc(N=Nc3ccc(Cl)cc3)cc2)[nH]1	ZINC000616582075	567213054	/nfs/dbraw/zinc/21/30/54/567213054.db2.gz	AEUVIBSMJGHQOA-ISLYRVAYSA-N	0	1	298.733	4.647	10	10		CJCEMN