smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c2cc(Cl)c(O)cc2oc(=O)c1CCC(=O)N[C@@H](CCCNC(N)=O)C(=O)NCC(=O)[O-]	ZINC000008790310	554683568	/nfs/dbraw/zinc/68/35/68/554683568.db2.gz	WMAGDLPHMLGPPT-AWEZNQCLSA-N	-1	2	496.904	0.527	50	0	biogenic	JCAALM
O=C([O-])CCC(=O)Nc1ccc2c(c1)[nH]cc2[C@H](C(=O)[O-])[NH+]1CCN([C@@H]2CCS(=O)(=O)C2)CC1	ZINC000031820537	556408350	/nfs/dbraw/zinc/40/83/50/556408350.db2.gz	VQUCXRTZYOTGIE-QVKFZJNVSA-N	-1	2	492.554	0.902	50	0		JCAALM
O=C([O-])CCC(=O)Nc1ccc2c(c1)[nH]cc2[C@@H](C(=O)[O-])[NH+]1CCN([C@@H]2CCS(=O)(=O)C2)CC1	ZINC000031820542	556408374	/nfs/dbraw/zinc/40/83/74/556408374.db2.gz	VQUCXRTZYOTGIE-VFNWGFHPSA-N	-1	2	492.554	0.902	50	0		JCAALM
O=C([O-])CCC(=O)Nc1ccc2c(c1)[nH]cc2[C@H](C(=O)[O-])[NH+]1CCN([C@H]2CCS(=O)(=O)C2)CC1	ZINC000031820548	556408332	/nfs/dbraw/zinc/40/83/32/556408332.db2.gz	VQUCXRTZYOTGIE-YCRPNKLZSA-N	-1	2	492.554	0.902	50	0		JCAALM
O=C([O-])CCC(=O)Nc1ccc2c(c1)[nH]cc2[C@@H](C(=O)[O-])[NH+]1CCN([C@H]2CCS(=O)(=O)C2)CC1	ZINC000031820551	556408355	/nfs/dbraw/zinc/40/83/55/556408355.db2.gz	VQUCXRTZYOTGIE-BTYIYWSLSA-N	-1	2	492.554	0.902	50	0		JCAALM
O=C([O-])CCC(=O)Nc1ccc2[nH]cc([C@@H](C(=O)[O-])[NH+]3CCN([C@@H]4CCS(=O)(=O)C4)CC3)c2c1	ZINC000036354229	569771686	/nfs/dbraw/zinc/77/16/86/569771686.db2.gz	ZRFFVIIDRDDMJC-VFNWGFHPSA-N	-1	2	492.554	0.902	50	0		JCAALM
O=C([O-])CCC(=O)Nc1ccc2[nH]cc([C@H](C(=O)[O-])[NH+]3CCN([C@@H]4CCS(=O)(=O)C4)CC3)c2c1	ZINC000036354230	569771666	/nfs/dbraw/zinc/77/16/66/569771666.db2.gz	ZRFFVIIDRDDMJC-QVKFZJNVSA-N	-1	2	492.554	0.902	50	0		JCAALM
O=C([O-])CCC(=O)Nc1ccc2[nH]cc([C@@H](C(=O)[O-])[NH+]3CCN([C@H]4CCS(=O)(=O)C4)CC3)c2c1	ZINC000036354232	569771609	/nfs/dbraw/zinc/77/16/09/569771609.db2.gz	ZRFFVIIDRDDMJC-BTYIYWSLSA-N	-1	2	492.554	0.902	50	0		JCAALM
O=C([O-])CCC(=O)Nc1ccc2[nH]cc([C@H](C(=O)[O-])[NH+]3CCN([C@H]4CCS(=O)(=O)C4)CC3)c2c1	ZINC000036354234	569771654	/nfs/dbraw/zinc/77/16/54/569771654.db2.gz	ZRFFVIIDRDDMJC-YCRPNKLZSA-N	-1	2	492.554	0.902	50	0		JCAALM
COc1ccc2c(c1)c([C@@H](C(=O)[O-])[NH+]1CCN([C@@H]3CCS(=O)(=O)C3)CC1)cn2CC(=O)[O-]	ZINC000036358256	569772092	/nfs/dbraw/zinc/77/20/92/569772092.db2.gz	PAEJJFPFFVZPHN-VLIAUNLRSA-N	-1	2	465.528	0.665	50	0		JCAALM
COc1ccc2c(c1)c([C@H](C(=O)[O-])[NH+]1CCN([C@@H]3CCS(=O)(=O)C3)CC1)cn2CC(=O)[O-]	ZINC000036358257	525604563	/nfs/dbraw/zinc/60/45/63/525604563.db2.gz	PAEJJFPFFVZPHN-JLTOFOAXSA-N	-1	2	465.528	0.665	50	0		JCAALM
COc1ccc2c(c1)c([C@@H](C(=O)[O-])[NH+]1CCN([C@H]3CCS(=O)(=O)C3)CC1)cn2CC(=O)[O-]	ZINC000036358258	569772141	/nfs/dbraw/zinc/77/21/41/569772141.db2.gz	PAEJJFPFFVZPHN-XOBRGWDASA-N	-1	2	465.528	0.665	50	0		JCAALM
COc1ccc2c(c1)c([C@H](C(=O)[O-])[NH+]1CCN([C@H]3CCS(=O)(=O)C3)CC1)cn2CC(=O)[O-]	ZINC000036358259	569772097	/nfs/dbraw/zinc/77/20/97/569772097.db2.gz	PAEJJFPFFVZPHN-VBKZILBWSA-N	-1	2	465.528	0.665	50	0		JCAALM
O=C([O-])Cn1cc([C@@H](C(=O)[O-])[NH+]2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c2ccc(F)cc21	ZINC000036365709	569772899	/nfs/dbraw/zinc/77/28/99/569772899.db2.gz	MFBZPEKACXAILB-KUHUBIRLSA-N	-1	2	453.492	0.795	50	0		JCAALM
O=C([O-])Cn1cc([C@H](C(=O)[O-])[NH+]2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c2ccc(F)cc21	ZINC000036365711	569772790	/nfs/dbraw/zinc/77/27/90/569772790.db2.gz	MFBZPEKACXAILB-AUUYWEPGSA-N	-1	2	453.492	0.795	50	0		JCAALM
O=C([O-])Cn1cc([C@@H](C(=O)[O-])[NH+]2CCN([C@H]3CCS(=O)(=O)C3)CC2)c2ccc(F)cc21	ZINC000036365712	569772835	/nfs/dbraw/zinc/77/28/35/569772835.db2.gz	MFBZPEKACXAILB-LIRRHRJNSA-N	-1	2	453.492	0.795	50	0		JCAALM
O=C([O-])Cn1cc([C@H](C(=O)[O-])[NH+]2CCN([C@H]3CCS(=O)(=O)C3)CC2)c2ccc(F)cc21	ZINC000036365714	569772786	/nfs/dbraw/zinc/77/27/86/569772786.db2.gz	MFBZPEKACXAILB-IFXJQAMLSA-N	-1	2	453.492	0.795	50	0		JCAALM