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@@H](Cc1ccc(O)c(O)c1)[C@@H](C)Cc1ccc(O)c(OC(=O)c2ccc([O-])cc2)c1	ZINC000031169380	291278218	/nfs/dbraw/zinc/27/82/18/291278218.db2.gz	ORMBYUPZHHWUEM-HOTGVXAUSA-N	-1	3	422.477	4.786	10	10	biogenic	HJCEHM
Cc1oc2ccc([O-])c(CN3C[C@@H](C)O[C@@H](C)C3)c2c1C(=O)Nc1ccccc1C	ZINC000017418539	558827512	/nfs/dbraw/zinc/82/75/12/558827512.db2.gz	KCHQTDNPLJOTLN-IYBDPMFKSA-N	-1	3	408.498	4.617	10	10		HJCEHM
Cc1oc2ccc([O-])c(CN3C[C@H](C)O[C@@H](C)C3)c2c1C(=O)Nc1ccccc1C	ZINC000028287228	558694444	/nfs/dbraw/zinc/69/44/44/558694444.db2.gz	KCHQTDNPLJOTLN-HOTGVXAUSA-N	-1	3	408.498	4.617	10	10		HJCEHM
C[C@H](Cc1ccc(O)c(O)c1)[C@@H](C)Cc1ccc(O)c(OC(=O)c2ccc([O-])cc2)c1	ZINC000031169384	291278200	/nfs/dbraw/zinc/27/82/00/291278200.db2.gz	ORMBYUPZHHWUEM-CVEARBPZSA-N	-1	3	422.477	4.786	10	10	biogenic	HJCEHM
C[C@H](Cc1ccc(O)c(OC(=O)c2ccc([O-])cc2)c1)[C@@H](C)Cc1ccc(O)c(O)c1	ZINC000031169388	291278210	/nfs/dbraw/zinc/27/82/10/291278210.db2.gz	ORMBYUPZHHWUEM-JKSUJKDBSA-N	-1	3	422.477	4.786	10	10	biogenic	HJCEHM
C[C@H](Cc1ccc(O)c(O)c1)[C@H](C)Cc1ccc(O)c(OC(=O)c2ccc([O-])cc2)c1	ZINC000031169392	291278705	/nfs/dbraw/zinc/27/87/05/291278705.db2.gz	ORMBYUPZHHWUEM-HZPDHXFCSA-N	-1	3	422.477	4.786	10	10	biogenic	HJCEHM
Cc1oc2ccc([O-])c(CN3C[C@@H](C)O[C@H](C)C3)c2c1C(=O)Nc1ccccc1C	ZINC000028287223	558694502	/nfs/dbraw/zinc/69/45/02/558694502.db2.gz	KCHQTDNPLJOTLN-HZPDHXFCSA-N	-1	3	408.498	4.617	10	10		HJCEHM