smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)N(C)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@H](C=O)CC(=O)[O-])C(C)C	ZINC000015722101	553534894	/nfs/dbraw/zinc/53/48/94/553534894.db2.gz	HBYDKJCHUAGGDW-VJARNRFFSA-N	-1	0	506.556	-0.415	10	30		KBEERM
O=C(CCCC[C@H]1SC[C@H]2NC(=O)N[C@H]12)NCCCCCC(=O)ON1C(=O)C[C@H](S(=O)(=O)[O-])C1=O	ZINC000060291608	554505311	/nfs/dbraw/zinc/50/53/11/554505311.db2.gz	UQZHJQWIISKTJN-ZXTQRBJTSA-N	-1	0	534.613	-0.138	10	30	in-vitro	KBEERM
O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21)NCCCCCC(=O)ON1C(=O)C[C@H](S(=O)(=O)[O-])C1=O	ZINC000060291618	554505209	/nfs/dbraw/zinc/50/52/09/554505209.db2.gz	UQZHJQWIISKTJN-COJSNBRMSA-N	-1	0	534.613	-0.138	10	30	in-vitro	KBEERM
C=C1[C@@H](O)C[C@@H]2C(C(=O)[O-])=CO[C@@H](O[C@@H]3O[C@H](COC(=O)/C=C/c4cc(OC)c(O)c(OC)c4)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12	ZINC000072320425	291620786	/nfs/dbraw/zinc/62/07/86/291620786.db2.gz	QTVCLHJYLZANIP-QRXPZTDPSA-N	-1	0	580.539	-0.332	10	30		KBEERM
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO[C@H]1O[C@@H](C(=O)[O-])[C@H](O)[C@@H](O)[C@@H]1O	ZINC000077273169	553657224	/nfs/dbraw/zinc/65/72/24/553657224.db2.gz	UBHXMSIBGRGDSX-SRABRGTMSA-N	-1	0	568.591	-0.188	10	30	in-vitro	KBEERM
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O	ZINC000077286045	553658115	/nfs/dbraw/zinc/65/81/15/553658115.db2.gz	SXDBDFVHISOKJP-YXSMBZLISA-N	-1	0	538.590	-0.302	10	30	in-vitro	KBEERM
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO[C@H]1O[C@@H](C(=O)[O-])[C@H](O)[C@@H](O)[C@@H]1O	ZINC000077291234	553659129	/nfs/dbraw/zinc/65/91/29/553659129.db2.gz	UBHXMSIBGRGDSX-DCSHZXMSSA-N	-1	0	568.591	-0.188	10	30	in-vitro	KBEERM
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O	ZINC000077312567	553663685	/nfs/dbraw/zinc/66/36/85/553663685.db2.gz	ROILWZCHYLNVFX-YXSMBZLISA-N	-1	0	536.574	-0.526	10	30	in-vitro	KBEERM
C[C@H](CS)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O	ZINC000077320138	553665407	/nfs/dbraw/zinc/66/54/07/553665407.db2.gz	TWZNWURZDPFVQT-GUWOMVTDSA-N	-1	0	501.579	-0.251	10	30	in-vitro	KBEERM
O=C(CCCC[C@H]1SC[C@H]2NC(=O)N[C@H]12)NCCCCCC(=O)ON1C(=O)C[C@@H](S(=O)(=O)[O-])C1=O	ZINC000103595895	555453245	/nfs/dbraw/zinc/45/32/45/555453245.db2.gz	UQZHJQWIISKTJN-MMQJMDILSA-N	-1	0	534.613	-0.138	10	30	in-vitro	KBEERM
O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21)NCCCCCC(=O)ON1C(=O)C[C@@H](S(=O)(=O)[O-])C1=O	ZINC000103595900	555453271	/nfs/dbraw/zinc/45/32/71/555453271.db2.gz	UQZHJQWIISKTJN-NPSOMJIGSA-N	-1	0	534.613	-0.138	10	30	in-vitro	KBEERM
C=C[C@](C)(CC/C=C(\C)C(=O)OC)O[C@H]1O[C@@H](COC(=O)C[C@](C)(O)CC(=O)[O-])[C@H](O)[C@@H](O)[C@@H]1O	ZINC000253534435	560039903	/nfs/dbraw/zinc/03/99/03/560039903.db2.gz	LVOGPECZHVNNHD-MVUAPYDBSA-N	-1	0	504.529	-0.186	10	30		KBEERM
C=C[C@@](C)(CC/C=C(\C)C(=O)OC)O[C@H]1O[C@@H](COC(=O)C[C@@](C)(O)CC(=O)[O-])[C@H](O)[C@@H](O)[C@@H]1O	ZINC000253534437	560039894	/nfs/dbraw/zinc/03/98/94/560039894.db2.gz	LVOGPECZHVNNHD-NPXPPSBWSA-N	-1	0	504.529	-0.186	10	30		KBEERM
C=C[C@@](C)(CC/C=C(\C)C(=O)OC)O[C@H]1O[C@@H](COC(=O)C[C@](C)(O)CC(=O)[O-])[C@H](O)[C@@H](O)[C@@H]1O	ZINC000253534438	560039926	/nfs/dbraw/zinc/03/99/26/560039926.db2.gz	LVOGPECZHVNNHD-RNVHWQRLSA-N	-1	0	504.529	-0.186	10	30		KBEERM
C=C[C@](C)(CC/C=C(\C)C(=O)OC)O[C@H]1O[C@@H](COC(=O)C[C@@](C)(O)CC(=O)[O-])[C@H](O)[C@@H](O)[C@@H]1O	ZINC000253534439	291420134	/nfs/dbraw/zinc/42/01/34/291420134.db2.gz	LVOGPECZHVNNHD-YROLDGGNSA-N	-1	0	504.529	-0.186	10	30		KBEERM