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)O[C@@H]1c2c(c3c(n2C#N)C(=O)c2c(O)cccc2C3=O)[C@H](O)[C@@H](O)[C@@]1(C)O	ZINC000005166464	560201185	/nfs/dbraw/zinc/20/11/85/560201185.db2.gz	SCLQHBRYNQYXBX-MTQWCTHYSA-N	0	0	412.354	0.061	1	10	in-vitro	HCCFRN
COc1cc(O)c2c(c1)C(=O)c1cc3c(c(O)c1C2=O)[C@H](O)[C@H](OC)[C@@](C)(O)[C@@H]3O	ZINC000005438288	560202134	/nfs/dbraw/zinc/20/21/34/560202134.db2.gz	GELQCQRLAMAWDN-WOZUAGRISA-N	0	0	416.382	0.728	1	10	in-vitro	HCCFRN
COc1cc(O)c2c(c1)C(=O)c1cc3c(c(O)c1C2=O)[C@H](O)[C@H](OC)[C@](C)(O)[C@@H]3O	ZINC000005438290	560202119	/nfs/dbraw/zinc/20/21/19/560202119.db2.gz	GELQCQRLAMAWDN-JSXRDJHFSA-N	0	0	416.382	0.728	1	10	in-vitro	HCCFRN
COc1cc(O)c2c(c1)C(=O)c1cc3c(c(O)c1C2=O)[C@H](O)[C@H](OC)[C@@](C)(O)[C@H]3O	ZINC000005438291	560202114	/nfs/dbraw/zinc/20/21/14/560202114.db2.gz	GELQCQRLAMAWDN-TUFLPTIASA-N	0	0	416.382	0.728	1	10	in-vitro	HCCFRN
COc1cc(O)c2c(c1)C(=O)c1cc3c(c(O)c1C2=O)[C@H](O)[C@H](OC)[C@](C)(O)[C@H]3O	ZINC000005438292	560202157	/nfs/dbraw/zinc/20/21/57/560202157.db2.gz	GELQCQRLAMAWDN-XSDIEEQYSA-N	0	0	416.382	0.728	1	10	in-vitro	HCCFRN
CCCCOC(=O)[C@@]1(O)C[C@@H](O)[C@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1	ZINC000013382452	291174268	/nfs/dbraw/zinc/17/42/68/291174268.db2.gz	VNLREARKISTOAD-WHRXQRCBSA-N	0	0	410.419	0.613	1	10	biogenic,in-vitro	HCCFRN
Cc1cc(O)c2c(c1)C(=O)c1cc(O[C@H]3OC[C@](O)(CO)[C@@H]3O)cc(O)c1C2=O	ZINC000014814260	291181753	/nfs/dbraw/zinc/18/17/53/291181753.db2.gz	AEQMIFRODRFTJF-VAMGGRTRSA-N	0	0	402.355	0.001	1	10	biogenic,in-vitro	HCCFRN
CCCCOC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1	ZINC000034084216	291174271	/nfs/dbraw/zinc/17/42/71/291174271.db2.gz	VNLREARKISTOAD-SNQQTVKYSA-N	0	0	410.419	0.613	1	10	biogenic,in-vitro	HCCFRN
CCCCOC(=O)[C@]1(O)C[C@@H](OC(=O)/C=C\c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)C1	ZINC000095909915	291174270	/nfs/dbraw/zinc/17/42/70/291174270.db2.gz	VNLREARKISTOAD-BRZQNUBYSA-N	0	0	410.419	0.613	1	10	endogenous,in-man	HCCFRN