smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1c2c(cc3c1C[C@@]1(C(=O)NC(=O)N(C)C1=O)[C@@H](c1c([O-])[nH]c(=O)n(C)c1=O)C3)OCO2	ZINC000009234356	555007766	/nfs/dbraw/zinc/00/77/66/555007766.db2.gz	ADKBAWJVGWFRBU-VPOQAHPWSA-N	-1	2	472.410	-0.842	50	0		JBAALM
COc1c2c(cc3c1C[C@@]1(C(=O)NC(=O)N(C)C1=O)[C@@H](c1c(=O)[nH]c(=O)n(C)c1[O-])C3)OCO2	ZINC000009234356	555007763	/nfs/dbraw/zinc/00/77/63/555007763.db2.gz	ADKBAWJVGWFRBU-VPOQAHPWSA-N	-1	2	472.410	-0.842	50	0		JBAALM
COc1c2c(cc3c1C[C@@]1(C(=O)NC(=O)N(C)C1=O)[C@@H](c1c([O-])[nH]c(=O)n(C)c1=O)C3)OCO2	ZINC000009234359	555007682	/nfs/dbraw/zinc/00/76/82/555007682.db2.gz	ADKBAWJVGWFRBU-XYQMPLONSA-N	-1	2	472.410	-0.842	50	0		JBAALM
COc1c2c(cc3c1C[C@@]1(C(=O)NC(=O)N(C)C1=O)[C@@H](c1c(=O)[nH]c(=O)n(C)c1[O-])C3)OCO2	ZINC000009234359	555007679	/nfs/dbraw/zinc/00/76/79/555007679.db2.gz	ADKBAWJVGWFRBU-XYQMPLONSA-N	-1	2	472.410	-0.842	50	0		JBAALM
COc1ccc(C(c2c([O-])[nH]c(=O)[nH]c2=O)C2C(=O)NC(=O)N=C2[O-])cc1C[NH+]1CCCC1	ZINC000009310746	555086840	/nfs/dbraw/zinc/08/68/40/555086840.db2.gz	IIZHYLBFDMITBO-UHFFFAOYSA-N	-1	2	457.443	-0.364	50	0		JBAALM