smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(C=C([O-])c1ccc(C(F)(F)F)cc1)c1ccc2occc2c1O	ZINC000101020701	219114574	/nfs/dbraw/zinc/11/45/74/219114574.db2.gz	OZOXDVXATMVYCL-DHDCSXOGSA-N	-1	1	348.276	4.939	1	30		EJEFMM
CC(C)=CCCc1c(O)ccc(C(=O)/C=C/c2ccc(O)cc2)c1[O-]	ZINC000095485931	291010721	/nfs/dbraw/zinc/01/07/21/291010721.db2.gz	GNIUILWYEVPTKR-XYOKQWHBSA-N	-1	1	338.403	4.598	1	30	biogenic,in-vitro	EJEFMM
CC(C)=CC[C@@]1(C)C(=O)C(=C([O-])C(C)C)C(=O)C2=C1OC(C)(C)C=C2	ZINC000038542575	213213633	/nfs/dbraw/zinc/21/36/33/213213633.db2.gz	IRGGCBUAOOSPAD-NRFANRHFSA-N	-1	1	344.451	4.588	1	30		EJEFMM
CC(C)=CC[C@@]1(C)C([O-])=C(C(=O)C(C)C)C(=O)C2=C1OC(C)(C)C=C2	ZINC000038542575	213213636	/nfs/dbraw/zinc/21/36/36/213213636.db2.gz	IRGGCBUAOOSPAD-NRFANRHFSA-N	-1	1	344.451	4.588	1	30		EJEFMM
CC(C)=CCCC(C)=CCc1c(O)ccc2c1C(=O)C([O-])=C(C)C2=O	ZINC000005543713	201057809	/nfs/dbraw/zinc/05/78/09/201057809.db2.gz	XHKLLPVKSUHZSJ-MDWZMJQESA-N	-1	1	340.419	4.838	1	30		EJEFMM
CCC(=O)C1=C([O-])[C@H](c2cccc(Oc3ccccc3)c2)CCC1=O	ZINC000101601185	219143846	/nfs/dbraw/zinc/14/38/46/219143846.db2.gz	YRJXOJKDEJXLQC-KRWDZBQOSA-N	-1	1	336.387	4.717	3	30		EJEFMM
CCC(=O)C1=C([O-])CC[C@@H](c2cccc(Oc3ccccc3)c2)C1=O	ZINC000101601185	219143849	/nfs/dbraw/zinc/14/38/49/219143849.db2.gz	YRJXOJKDEJXLQC-KRWDZBQOSA-N	-1	1	336.387	4.717	3	30		EJEFMM
CCC(=O)C1=C([O-])[C@@H](c2cccc(Oc3ccccc3)c2)CCC1=O	ZINC000101601188	219144067	/nfs/dbraw/zinc/14/40/67/219144067.db2.gz	YRJXOJKDEJXLQC-QGZVFWFLSA-N	-1	1	336.387	4.717	3	30		EJEFMM
CCC(=O)C1=C([O-])CC[C@H](c2cccc(Oc3ccccc3)c2)C1=O	ZINC000101601188	219144069	/nfs/dbraw/zinc/14/40/69/219144069.db2.gz	YRJXOJKDEJXLQC-QGZVFWFLSA-N	-1	1	336.387	4.717	3	30		EJEFMM
O=C1c2c(cc([O-])cc2O)O/C1=C\c1ccc(C2CCCCC2)cc1	ZINC000072108791	203162747	/nfs/dbraw/zinc/16/27/47/203162747.db2.gz	CFQQYZPQNOGQHM-GRSHGNNSSA-N	-1	1	336.387	4.762	1	30		EJEFMM
CC(C)=CCCC(C)=CCC1=C(C)C(=O)c2c(O)cc([O-])cc2C1=O	ZINC000015120528	560228568	/nfs/dbraw/zinc/22/85/68/560228568.db2.gz	HFMUGRCEDVYMSK-MDWZMJQESA-N	-1	1	340.419	4.876	1	30	in-vitro	EJEFMM
C=C(C)[C@H](C)c1cc(/C=C/C(=O)c2ccc([O-])cc2)cc(OC)c1O	ZINC000098084878	219080938	/nfs/dbraw/zinc/08/09/38/219080938.db2.gz	AFJZAWYBFBJUEH-SEIPJRMCSA-N	-1	1	338.403	4.682	1	30		EJEFMM
C=C(C)[C@H](C)c1cc(/C=C\C(=O)c2ccc([O-])cc2)c(OC)cc1O	ZINC000095912838	291009988	/nfs/dbraw/zinc/00/99/88/291009988.db2.gz	SWPKMTGYQGHLJS-YHAOYDPOSA-N	-1	1	338.403	4.682	1	30	biogenic,in-vitro	EJEFMM
CCOc1ccc(/C=C/C(=O)c2cc(C)c(C)cc2[O-])cc1OCC	ZINC000073293416	216374414	/nfs/dbraw/zinc/37/44/14/216374414.db2.gz	TYDVVAJNQBOCGL-VQHVLOKHSA-N	-1	1	340.419	4.703	1	30		EJEFMM