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](O)CC/C(C)=C/Cc1c([O-])ccc(C(=O)/C=C\c2ccc(O)c(O)c2)c1[O-]	ZINC000095918984	291271924	/nfs/dbraw/zinc/27/19/24/291271924.db2.gz	WNTGZUNFTPNYIX-DRLKJRHXSA-N	-2	3	424.493	4.611	1	30	biogenic,in-vitro	HJEFHL
C=C(C)[C@H](O)Cc1cc(-c2cc(=O)c3c([O-])cc([O-])cc3o2)cc(CC=C(C)C)c1O	ZINC000014780848	291272177	/nfs/dbraw/zinc/27/21/77/291272177.db2.gz	FIZBURLMLRCZTA-LJQANCHMSA-N	-2	3	422.477	4.565	1	30	biogenic,in-vitro	HJEFHL
C=C(C)[C@H](O)Cc1c([O-])c(C(=O)[C@@H](C)CC)c([O-])c2c(-c3ccccc3)cc(=O)oc12	ZINC000014585958	291271919	/nfs/dbraw/zinc/27/19/19/291271919.db2.gz	ZJEGMYRKQKKGKH-KBXCAEBGSA-N	-2	3	422.477	4.580	1	30	biogenic,in-vitro	HJEFHL
C=CC(C)(C)c1c2c(c(=O)c3c([O-])c4c([O-])cc([O-])c(OC)c4oc1-3)C=CC(C)(C)O2	ZINC000014584519	291272490	/nfs/dbraw/zinc/27/24/90/291272490.db2.gz	VLWLCJQBHWLTST-UHFFFAOYSA-N	-3	3	424.449	4.719	1	30	biogenic,in-vitro	HJEFHL
C=CC(C)(C)c1c2c(c(=O)c3c([O-])c4c(O)cc([O-])c(OC)c4oc1-3)C=CC(C)(C)O2	ZINC000014584519	291272491	/nfs/dbraw/zinc/27/24/91/291272491.db2.gz	VLWLCJQBHWLTST-UHFFFAOYSA-N	-2	3	424.449	4.719	1	30	biogenic,in-vitro	HJEFHL
C=C(C)[C@@H](O)Cc1c([O-])cc2occ(-c3ccc(O)c(CC=C(C)C)c3)c(=O)c2c1[O-]	ZINC000014780931	291271937	/nfs/dbraw/zinc/27/19/37/291271937.db2.gz	ALEUBOFIDHNMTA-FQEVSTJZSA-N	-2	3	422.477	4.565	1	30	biogenic,in-vitro	HJEFHL
CCCC1=C([O-])C(C)(C)C(=O)C(CC2=C([O-])C(C)(C)C(=O)C(=C([O-])CC)C2=O)C1=O	ZINC000103547065	291274771	/nfs/dbraw/zinc/27/47/71/291274771.db2.gz	KSETWVLTQSVYLP-UHFFFAOYSA-N	-3	3	418.486	4.622	1	30	biogenic,in-vitro	HJEFHL
CCCC1C(=O)C(CC2=C([O-])C(C)(C)C(=O)C(=C([O-])CC)C2=O)=C([O-])C(C)(C)C1=O	ZINC000103547065	291274772	/nfs/dbraw/zinc/27/47/72/291274772.db2.gz	KSETWVLTQSVYLP-UHFFFAOYSA-N	-3	3	418.486	4.622	1	30	biogenic,in-vitro	HJEFHL
C=C(C)[C@H](O)CC/C(C)=C/Cc1c([O-])ccc(C(=O)/C=C\c2ccc(O)cc2)c1[O-]	ZINC000095919156	291271927	/nfs/dbraw/zinc/27/19/27/291271927.db2.gz	NCHZAFAGBAEJJJ-YLXDQPIUSA-N	-2	3	408.494	4.906	1	30	biogenic,in-vitro	HJEFHL
CC(C)=CCc1cc(/C=C/C(=O)c2cc3c(cc2[O-])O[C@@H](C(C)(C)O)C3)ccc1[O-]	ZINC000013375648	291273423	/nfs/dbraw/zinc/27/34/23/291273423.db2.gz	JZBLMRCGMUTLPS-VFUOJUBFSA-N	-2	3	408.494	4.577	1	30	biogenic,in-vitro	HJEFHL
C=C(C)[C@@H](O)Cc1cc(-c2cc(=O)c3c([O-])cc([O-])cc3o2)cc(CC=C(C)C)c1O	ZINC000014780851	560226286	/nfs/dbraw/zinc/22/62/86/560226286.db2.gz	FIZBURLMLRCZTA-IBGZPJMESA-N	-2	3	422.477	4.565	1	30	in-vitro	HJEFHL
C=C(C)[C@@H](O)Cc1cc(-c2cc(=O)c3c([O-])cc([O-])cc3o2)cc2c1OC(C)(C)C=C2	ZINC000014886837	560227462	/nfs/dbraw/zinc/22/74/62/560227462.db2.gz	ZAUWPDSVLSOCDG-SFHVURJKSA-N	-2	3	420.461	4.535	1	30	in-vitro	HJEFHL
C=C(C)[C@H](O)Cc1cc(-c2cc(=O)c3c([O-])cc([O-])cc3o2)cc2c1OC(C)(C)C=C2	ZINC000014886840	291272129	/nfs/dbraw/zinc/27/21/29/291272129.db2.gz	ZAUWPDSVLSOCDG-GOSISDBHSA-N	-2	3	420.461	4.535	1	30	biogenic,in-vitro	HJEFHL