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(C)[C@@H](CC=C(C)C)Cc1c([O-])ccc2c1O[C@H](c1ccc(O)cc1O)CC2=O	ZINC000005480772	291281420	/nfs/dbraw/zinc/28/14/20/291281420.db2.gz	JUKXEUCJMRWMTL-FYSMJZIKSA-N	-1	3	408.494	5.601	1	30		HKEFHM
C=C(C)[C@H](CC=C(C)C)Cc1c([O-])ccc2c1O[C@H](c1ccc(O)cc1O)CC2=O	ZINC000005480773	291281693	/nfs/dbraw/zinc/28/16/93/291281693.db2.gz	JUKXEUCJMRWMTL-GYCJOSAFSA-N	-1	3	408.494	5.601	1	30		HKEFHM
C=CCc1ccc(O)c(-c2cc(CC=C)cc([C@H]3C=C(C)CC[C@@H]3C(C)C)c2[O-])c1	ZINC000005767401	291283006	/nfs/dbraw/zinc/28/30/06/291283006.db2.gz	QIWQHZQTBNPZSG-PKTZIBPZSA-N	-1	3	402.578	7.318	1	30	biogenic,in-vitro	HKEFHM
Cc1c(O)c([O-])cc2c1C(=O)C=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)=CC[C@]3(C)CC[C@]12C	ZINC000013485192	291289998	/nfs/dbraw/zinc/28/99/98/291289998.db2.gz	IKNUYEAOUHEBMK-JPJACQMESA-N	-1	3	420.593	6.749	1	30	biogenic,in-vitro	HKEFHM
C=CCc1ccc([O-])c(-c2cc(CC=C)ccc2O[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)c1	ZINC000013485442	291283029	/nfs/dbraw/zinc/28/30/29/291283029.db2.gz	WDJOGJXRIXJSCD-GGPAXRDESA-N	-1	3	402.578	7.110	1	30	biogenic,in-vitro	HKEFHM
C=CC(C)(C)c1c2c(c(=O)c3c([O-])c4cccc(OC(C)=O)c4oc1-3)C=CC(C)(C)O2	ZINC000014584517	291283047	/nfs/dbraw/zinc/28/30/47/291283047.db2.gz	QWXXUZAEBMQQBV-UHFFFAOYSA-N	-1	3	420.461	5.225	1	30	biogenic,in-vitro	HKEFHM
C=CC(C)(C)c1c2c(c([O-])c3c1oc1c(OC(C)=O)cccc1c3=O)C=CC(C)(C)O2	ZINC000014584517	291283051	/nfs/dbraw/zinc/28/30/51/291283051.db2.gz	QWXXUZAEBMQQBV-UHFFFAOYSA-N	-1	3	420.461	5.225	1	30	biogenic,in-vitro	HKEFHM
C=CCc1ccc(O)c(-c2cc(CC=C)cc([C@@H]3C=C(C)CC[C@H]3C(C)C)c2[O-])c1	ZINC000014658169	291283079	/nfs/dbraw/zinc/28/30/79/291283079.db2.gz	QIWQHZQTBNPZSG-XZOQPEGZSA-N	-1	3	402.578	7.318	1	30	biogenic,in-vitro	HKEFHM
C=C(C)[C@H]1COc2c(C)cc3oc4c(CC=C(C)C)ccc(=O)c-4c([O-])c3c2[C@@H]1O	ZINC000014697257	560224686	/nfs/dbraw/zinc/22/46/86/560224686.db2.gz	MXGMZMKTWCNKRS-OPAMFIHVSA-N	-1	3	406.478	5.087	1	30	in-vitro	HKEFHM
C=C(C)[C@H]1COc2c(C)cc3oc4c(CC=C(C)C)ccc([O-])c4c(=O)c3c2[C@@H]1O	ZINC000014697257	560224687	/nfs/dbraw/zinc/22/46/87/560224687.db2.gz	MXGMZMKTWCNKRS-OPAMFIHVSA-N	-1	3	406.478	5.087	1	30	in-vitro	HKEFHM
C=C(C)CC[C@H](Cc1c([O-])cc(O)c2c1O[C@H](c1ccc(O)cc1O)CC2=O)C(=C)C	ZINC000014711674	560224694	/nfs/dbraw/zinc/22/46/94/560224694.db2.gz	CBIZXZGHIBJYRA-CMJOXMDJSA-N	-1	3	424.493	5.307	1	30	in-vitro	HKEFHM
C=C(C)[C@H](CC=C(C)C)Cc1c([O-])cc(OC)c2c1O[C@H](c1ccc(O)cc1)CC2=O	ZINC000014813222	291281719	/nfs/dbraw/zinc/28/17/19/291281719.db2.gz	HWMUITXPRSEDHI-JPYJTQIMSA-N	-1	3	422.521	5.904	1	30	biogenic,in-vitro	HKEFHM
C=C(C)CC[C@H](Cc1c([O-])cc(O)c2c1O[C@H](c1ccc(O)cc1)CC2=O)C(=C)C	ZINC000014813228	560226522	/nfs/dbraw/zinc/22/65/22/560226522.db2.gz	NPTHXJUVZWZDJB-HXOBKFHXSA-N	-1	3	408.494	5.601	1	30	in-vitro	HKEFHM
C=C(C)[C@H](CC=C(C)C)Cc1c([O-])cc(O)c2c1O[C@H](c1c(O)cccc1O)CC2=O	ZINC000015212488	560229306	/nfs/dbraw/zinc/22/93/06/560229306.db2.gz	FPUREMWTZVLZBZ-QRQCRPRQSA-N	-1	3	424.493	5.307	1	30	in-vitro	HKEFHM
C=CC(C)(C)c1cc([O-])c2oc3c4oc(C(C)(C)OC)cc4ccc3c(=O)c2c1O	ZINC000015252053	560229619	/nfs/dbraw/zinc/22/96/19/560229619.db2.gz	OZJCGTVVJDALBR-UHFFFAOYSA-N	-1	3	408.450	5.449	1	30	in-vitro	HKEFHM
C=C(C)[C@@H](CC=C(C)C)Cc1c([O-])cc(OC)c2c1O[C@H](c1ccccc1O)CC2=O	ZINC000034517988	291281414	/nfs/dbraw/zinc/28/14/14/291281414.db2.gz	NREGVTHCHKOXLC-SBUREZEXSA-N	-1	3	422.521	5.904	1	30	biogenic,in-vitro	HKEFHM
CC(C)[C@@]1(c2cccs2)OCC(=S)[N-]c2ccc(-c3cc(F)cc(C#N)c3)cc21	ZINC000045498440	581095088	/nfs/dbraw/zinc/09/50/88/581095088.db2.gz	MQKFQQKZVWPIOR-HSZRJFAPSA-N	-1	3	422.550	6.095	1	30		HKEFHM
CC(C)[C@]1(c2cccs2)OCC(=S)[N-]c2ccc(-c3cc(F)cc(C#N)c3)cc21	ZINC000045498442	581095060	/nfs/dbraw/zinc/09/50/60/581095060.db2.gz	MQKFQQKZVWPIOR-QHCPKHFHSA-N	-1	3	422.550	6.095	1	30		HKEFHM
C=C1CC[C@]2(C)CC[C@]3(C)C4=CC(=O)c5c(C)c(O)c([O-])cc5[C@]4(C)CC[C@@]3(C)[C@@H]2C1	ZINC000086037206	291282636	/nfs/dbraw/zinc/28/26/36/291282636.db2.gz	XVIQCCFXDXUXNE-JPJACQMESA-N	-1	3	420.593	6.749	1	30	biogenic,in-vitro	HKEFHM