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)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)COS(=O)(=O)[O-]	ZINC000004533952	181120919	/nfs/dbraw/zinc/12/09/19/181120919.db2.gz	NHZWETQZLORZIR-LXGUWJNJSA-N	-1	0	301.273	-3.408	10	30		DAEERM
CC(=O)N[C@H](C=O)[C@H](O)[C@H](OS(=O)(=O)[O-])[C@@H](O)CO	ZINC000256764730	278167163	/nfs/dbraw/zinc/16/71/63/278167163.db2.gz	RKFMAQNDSSSRTH-VGRMVHKJSA-N	-1	0	301.273	-3.408	10	30		DAEERM
CC(=O)N[C@H](C=O)[C@H](O)[C@@H](OS(=O)(=O)[O-])[C@H](O)CO	ZINC000256764725	278167171	/nfs/dbraw/zinc/16/71/71/278167171.db2.gz	RKFMAQNDSSSRTH-NGJRWZKOSA-N	-1	0	301.273	-3.408	10	30		DAEERM
CC(=O)N[C@@H](C=O)[C@@H](O)[C@@H](O)[C@H](O)COS(=O)(=O)[O-]	ZINC000003650191	519682090	/nfs/dbraw/zinc/68/20/90/519682090.db2.gz	NHZWETQZLORZIR-OSMVPFSASA-N	-1	0	301.273	-3.408	10	30	endogenous,in-man	DAEERM
C=CC[C@@H](NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)[O-]	ZINC000159599219	545833338	/nfs/dbraw/zinc/83/33/38/545833338.db2.gz	ODKUXFKVFZKNNO-SSDOTTSWSA-N	-1	0	317.323	-1.608	10	30		DAEERM
N#C/C(C(N)=O)=c1\[nH]c(=C2C(=O)[N-]C(=O)NC2=O)c2ccccc21	ZINC000034648933	303138310	/nfs/dbraw/zinc/13/83/10/303138310.db2.gz	WNBHIVMDEIIICY-CSKARUKUSA-N	-1	0	323.268	-2.156	10	30		DAEERM
CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)N[C@@H](CS)C(=O)[O-]	ZINC000004096306	571684794	/nfs/dbraw/zinc/68/47/94/571684794.db2.gz	QSYCTARXWYLMOF-CBAPKCEASA-N	-1	0	322.383	-1.629	10	30	endogenous,in-man	DAEERM
NC(=O)CC[C@H](NO)C(=O)N(O)[C@@H](CCC(N)=O)C(=O)[O-]	ZINC000090741528	192926353	/nfs/dbraw/zinc/92/63/53/192926353.db2.gz	VAKMULXGWGAYGA-WDSKDSINSA-N	-1	0	306.275	-2.464	10	30		DAEERM
[NH3+][C@@H](CCC(=O)N[C@@H](CS)C(=O)NCCC(=O)[O-])C(=O)[O-]	ZINC000004096455	372766995	/nfs/dbraw/zinc/76/69/95/372766995.db2.gz	HKBNQXMLSMKLJV-BQBZGAKWSA-N	-1	0	321.355	-1.816	10	30	endogenous,in-man	DAEERM
O=C1[N-]C(=O)C(=NNc2cccc3c(=O)[nH][nH]c(=O)c23)C(=O)N1	ZINC000006445960	372768393	/nfs/dbraw/zinc/76/83/93/372768393.db2.gz	QUQBXDMSRYPVSQ-UHFFFAOYSA-N	-1	0	316.233	-1.650	10	30		DAEERM
C=CC[C@H](NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)[O-]	ZINC000159599081	545833550	/nfs/dbraw/zinc/83/35/50/545833550.db2.gz	ODKUXFKVFZKNNO-ZETCQYMHSA-N	-1	0	317.323	-1.608	10	30		DAEERM
C#CC[C@H](NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)[O-]	ZINC000159571270	338528497	/nfs/dbraw/zinc/52/84/97/338528497.db2.gz	ILCBUTQCKPYLPK-ZETCQYMHSA-N	-1	0	315.307	-2.161	10	30		DAEERM
CC(=O)N[C@@H](C=O)[C@@H](O)[C@@H](OS(=O)(=O)[O-])[C@H](O)CO	ZINC000012494346	373659341	/nfs/dbraw/zinc/65/93/41/373659341.db2.gz	RKFMAQNDSSSRTH-OSMVPFSASA-N	-1	0	301.273	-3.408	10	30		DAEERM