smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)=CCc1c(=O)cc2oc3cc([O-])c4c(c3c([O-])c-2c1[O-])C[C@@H](C(C)(C)O)O4	ZINC000095099300	291247829	/nfs/dbraw/zinc/24/78/29/291247829.db2.gz	MWJTZEZNHBWDNU-KRWDZBQOSA-N	-3	3	412.438	3.646	1	5	biogenic,in-vitro	HHBFHL
Nc1ccc2[nH]c(-c3cc(CC(=O)[O-])cc(-c4cccc([N+](=O)[O-])c4)c3[O-])cc2n1	ZINC000014953807	581100734	/nfs/dbraw/zinc/10/07/34/581100734.db2.gz	BVBGZXXLVHYBKI-UHFFFAOYSA-N	-2	3	404.382	3.720	1	5	in-vivo	HHBFHL
CC(C)=CCc1c2c(c([O-])c3c([O-])c4c(=O)ccc(O)c-4oc13)C[C@@H](C(C)(C)O)O2	ZINC000014610220	291247795	/nfs/dbraw/zinc/24/77/95/291247795.db2.gz	BOLYIYCSCKSMCJ-HNNXBMFYSA-N	-2	3	412.438	3.646	1	5	biogenic,in-vitro	HHBFHL
CC(C)=CCc1c2c(c(=O)c3c([O-])c4c([O-])ccc(O)c4oc1-3)C[C@@H](C(C)(C)O)O2	ZINC000014610220	291247798	/nfs/dbraw/zinc/24/77/98/291247798.db2.gz	BOLYIYCSCKSMCJ-HNNXBMFYSA-N	-2	3	412.438	3.646	1	5	biogenic,in-vitro	HHBFHL
CC(C)=CCc1c([O-])cc2oc3c([O-])cc4c(c3c(=O)c2c1O)C[C@@H](O)C(C)(C)O4	ZINC000015252018	291247818	/nfs/dbraw/zinc/24/78/18/291247818.db2.gz	VPNBQMUAQMFCCW-QGZVFWFLSA-N	-2	3	412.438	3.646	1	5	endogenous,in-man	HHBFHL