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)=CC(=O)c1cc([C@H](C)O[C@@H](C)c2ccc([O-])c(C(=O)C=C(C)C)c2)ccc1[O-]	ZINC000014635095	560223390	/nfs/dbraw/zinc/22/33/90/560223390.db2.gz	SHQGDKOMNRCQEQ-ROUUACIJSA-N	-2	0	422.521	6.234	1	30	biogenic,in-vitro	HKEFRL
C=CC(C)(C)c1c(OC)c(CC=C(C)C)c(=O)c2c([O-])c3ccc([O-])c(O)c3oc1-2	ZINC000015256042	291283033	/nfs/dbraw/zinc/28/30/33/291283033.db2.gz	QFBAAHOFCQDCQH-UHFFFAOYSA-N	-2	0	410.466	5.044	1	30	biogenic,in-vitro	HKEFRL
CCCCCCCCCCCCCCCCCCOCC(=O)COP(=O)([O-])[O-]	ZINC000032839032	571744875	/nfs/dbraw/zinc/74/48/75/571744875.db2.gz	DSLZSTBYLRGPIK-UHFFFAOYSA-N	-2	0	422.543	5.943	1	30	endogenous,in-man	HKEFRL
CCCCCCC/C=C/CCCCCCCC[C@@H]1OC[C@H](COP(=O)([O-])[O-])O1	ZINC000036184624	541108809	/nfs/dbraw/zinc/10/88/09/541108809.db2.gz	VOGLVEXYHHYNNM-OBDVNYBASA-N	-2	0	420.527	5.875	1	30		HKEFRL
CCCCCCC/C=C/CCCCCCCC[C@H]1OC[C@H](COP(=O)([O-])[O-])O1	ZINC000036184625	541108912	/nfs/dbraw/zinc/10/89/12/541108912.db2.gz	VOGLVEXYHHYNNM-GHRJBCJXSA-N	-2	0	420.527	5.875	1	30		HKEFRL
CCCCCCC/C=C/CCCCCCCC[C@@H]1OC[C@@H](COP(=O)([O-])[O-])O1	ZINC000036184626	541108849	/nfs/dbraw/zinc/10/88/49/541108849.db2.gz	VOGLVEXYHHYNNM-FIKIWUFISA-N	-2	0	420.527	5.875	1	30		HKEFRL
CCCCCCC/C=C/CCCCCCCC[C@H]1OC[C@@H](COP(=O)([O-])[O-])O1	ZINC000036184627	541108684	/nfs/dbraw/zinc/10/86/84/541108684.db2.gz	VOGLVEXYHHYNNM-DRJJXNLZSA-N	-2	0	420.527	5.875	1	30		HKEFRL
CCCCCCCC/C=C\CCCCCCCC(=O)NCCC(=O)P(=O)([O-])[O-]	ZINC000038153243	541108540	/nfs/dbraw/zinc/10/85/40/541108540.db2.gz	BXBZKTOVFLATAM-KTKRTIGZSA-N	-2	0	417.527	5.235	1	30		HKEFRL