smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])C(=O)C=C([O-])c1cccc(OCc2ccsc2C(=O)[O-])c1	ZINC000101058949	219115418	/nfs/dbraw/zinc/11/54/18/219115418.db2.gz	GAGLLSXSZNUFQK-GHXNOFRVSA-N	-3	0	348.332	2.578	1	30		EFEFRL
C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)C[C@H](O)C[C@](C)(C(=O)[O-])[C@@H]1[C@H]3C(=O)[O-]	ZINC000100775873	571821272	/nfs/dbraw/zinc/82/12/72/571821272.db2.gz	SFGDEUSMQMGAFH-QKPSGAAOSA-N	-2	0	348.439	2.932	1	30	endogenous,in-man	EFEFRL
CCCCCCCCS(=O)(=O)Nc1ccc(P(=O)([O-])[O-])cc1	ZINC000049878498	214035259	/nfs/dbraw/zinc/03/52/59/214035259.db2.gz	GNUONXJCYRXQHK-UHFFFAOYSA-N	-2	0	349.389	2.592	1	30		EFEFRL
C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)C[C@@H](O)C[C@](C)(C(=O)[O-])[C@@H]1[C@H]3C(=O)[O-]	ZINC000100775866	571821049	/nfs/dbraw/zinc/82/10/49/571821049.db2.gz	SFGDEUSMQMGAFH-SHHUQELISA-N	-2	0	348.439	2.932	1	30	endogenous,in-man	EFEFRL
C=C1C[C@]23C[C@H]1[C@@H](O)C[C@H]2[C@]1(C)CCC[C@](C)(C(=O)[O-])[C@@H]1[C@H]3C(=O)[O-]	ZINC000015256243	571737558	/nfs/dbraw/zinc/73/75/58/571737558.db2.gz	RVQCZHZIMZMGAD-QKPSGAAOSA-N	-2	0	348.439	2.932	1	30	endogenous,in-man	EFEFRL
C=C1C[C@]23C[C@H]1[C@@H](O)C[C@H]2[C@@]1(C)CCC[C@](C)(C(=O)[O-])[C@@H]1[C@H]3C(=O)[O-]	ZINC000015256248	571737597	/nfs/dbraw/zinc/73/75/97/571737597.db2.gz	RVQCZHZIMZMGAD-BDCUBGKZSA-N	-2	0	348.439	2.932	1	30	endogenous,in-man	EFEFRL
CC(C)C1=C([O-])C(=O)C([C@]2(C)CCCC(C)(C)C2=O)=C(C(=O)[O-])C1=O	ZINC000095919419	560054444	/nfs/dbraw/zinc/05/44/44/560054444.db2.gz	SGKJGYABTMHZMR-IBGZPJMESA-N	-2	0	348.395	2.773	1	30	biogenic,in-vitro	EFEFRL
C=C1C[C@]23C[C@H]1[C@@H](O)C[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)[O-])[C@@H]1[C@H]3C(=O)[O-]	ZINC000015256236	571737312	/nfs/dbraw/zinc/73/73/12/571737312.db2.gz	RVQCZHZIMZMGAD-VDOVSWBGSA-N	-2	0	348.439	2.932	1	30	endogenous,in-man	EFEFRL
C=C1C[C@]23C[C@H]1[C@@H](O)C[C@H]2[C@@]1(C)CCC[C@@](C)(C(=O)[O-])[C@@H]1[C@H]3C(=O)[O-]	ZINC000015256240	571737460	/nfs/dbraw/zinc/73/74/60/571737460.db2.gz	RVQCZHZIMZMGAD-OMIKWJFYSA-N	-2	0	348.439	2.932	1	30	endogenous,in-man	EFEFRL
C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]1(C)C[C@@H](O)C[C@](C)(C(=O)[O-])[C@@H]1[C@H]3C(=O)[O-]	ZINC000100775870	571821281	/nfs/dbraw/zinc/82/12/81/571821281.db2.gz	SFGDEUSMQMGAFH-PRIHUXGGSA-N	-2	0	348.439	2.932	1	30	endogenous,in-man	EFEFRL
O=C([O-])c1cc(N=Cc2c(=O)oc3ccccc3c2[O-])ccc1O	ZINC000006112556	210590649	/nfs/dbraw/zinc/59/06/49/210590649.db2.gz	QJYSGKFQZKEJDV-QGMBQPNBSA-N	-2	0	325.276	2.653	1	30		EFEFRL
CCCCCCCCS(=O)(=O)Nc1ccccc1P(=O)([O-])[O-]	ZINC000049878082	214035363	/nfs/dbraw/zinc/03/53/63/214035363.db2.gz	SYEDOWIBRHDUDM-UHFFFAOYSA-N	-2	0	349.389	2.592	1	30		EFEFRL
N#Cc1c(=O)n2c([S-])n[n-]c2nc1-c1ccc(Cl)cc1Cl	ZINC000102978361	219244839	/nfs/dbraw/zinc/24/48/39/219244839.db2.gz	RQTZOLKISVLEHZ-UHFFFAOYSA-N	-2	0	338.179	2.552	1	30		EFEFRL
C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]1(C)C[C@H](O)C[C@](C)(C(=O)[O-])[C@@H]1[C@H]3C(=O)[O-]	ZINC000100775876	571821294	/nfs/dbraw/zinc/82/12/94/571821294.db2.gz	SFGDEUSMQMGAFH-BDCUBGKZSA-N	-2	0	348.439	2.932	1	30	endogenous,in-man	EFEFRL