smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)c1sc(C(=O)OC)c([O-])c1[O-]	ZINC000000129567	342676063	/nfs/dbraw/zinc/67/60/63/342676063.db2.gz	ZZVINKJCOXPIKL-UHFFFAOYSA-N	-2	3	232.213	0.733	50	10		BCCAHL
O=C([O-])[C@H]1CS[C@@H](c2cccc(O)c2[O-])N1	ZINC000000053456	344101243	/nfs/dbraw/zinc/10/12/43/344101243.db2.gz	WNYPXOJDKRDVNY-MUWHJKNJSA-N	-2	3	241.268	0.886	50	10		BCCAHL
O=c1[nH][n-]cc1C=Nc1ccccc1[O-]	ZINC000095921844	384407351	/nfs/dbraw/zinc/40/73/51/384407351.db2.gz	CLHWGLKLWYNXJZ-ALCCZGGFSA-N	-2	3	203.201	0.804	50	10		BCCAHL
O=C([O-])[C@@H]1CS[C@H](c2cccc(O)c2[O-])N1	ZINC000000053459	344101517	/nfs/dbraw/zinc/10/15/17/344101517.db2.gz	WNYPXOJDKRDVNY-IMTBSYHQSA-N	-2	3	241.268	0.886	50	10		BCCAHL
O=C([O-])C[NH2+]Cc1cc(C(=O)[O-])ccc1[O-]	ZINC000000389806	383861065	/nfs/dbraw/zinc/86/10/65/383861065.db2.gz	ZASGCNOMAYYQIX-UHFFFAOYSA-N	-2	3	225.200	0.265	50	10		BCCAHL
[O-]c1c(O)cc(-c2nn[n-]n2)cc1Cl	ZINC000034929191	183256425	/nfs/dbraw/zinc/25/64/25/183256425.db2.gz	FZFYLXRCIFZRTA-UHFFFAOYSA-N	-2	3	212.596	0.931	50	10		BCCAHL
O=c1[nH][n-]cc1C=Nc1ccccc1[O-]	ZINC000095921845	384410625	/nfs/dbraw/zinc/41/06/25/384410625.db2.gz	CLHWGLKLWYNXJZ-FNORWQNLSA-N	-2	3	203.201	0.804	50	10		BCCAHL
O=C([O-])[C@@H]1CS[C@@H](c2cccc(O)c2[O-])N1	ZINC000000053458	344101543	/nfs/dbraw/zinc/10/15/43/344101543.db2.gz	WNYPXOJDKRDVNY-RCOVLWMOSA-N	-2	3	241.268	0.886	50	10		BCCAHL
O=[N+]([O-])c1cc([O-])c([O-])cc1[N+](=O)[O-]	ZINC000034240224	343267134	/nfs/dbraw/zinc/26/71/34/343267134.db2.gz	ZUWVFOJZGCLEKC-UHFFFAOYSA-N	-2	3	200.106	0.914	50	10		BCCAHL
O=Cc1ccc([O-])c(CN2CCOCC2)c1[O-]	ZINC000014980180	384413290	/nfs/dbraw/zinc/41/32/90/384413290.db2.gz	ZKCRXTHOKDPMQE-UHFFFAOYSA-N	-2	3	237.255	0.743	50	10		BCCAHL
O=C([O-])c1ccc([O-])c(CN2CCOCC2)c1	ZINC000004974053	342755327	/nfs/dbraw/zinc/75/53/27/342755327.db2.gz	FKOLPZLYCMWJNH-UHFFFAOYSA-N	-2	3	237.255	0.923	50	10		BCCAHL
O=C([O-])COC(=O)c1cc(O)c([O-])c(O)c1	ZINC000222780355	368405580	/nfs/dbraw/zinc/40/55/80/368405580.db2.gz	KAMUQJYKBDAMKC-UHFFFAOYSA-N	-2	3	228.156	0.045	50	10		BCCAHL
O=C([O-])Cc1cc(=O)oc2c(O)c([O-])ccc12	ZINC000001237931	386001673	/nfs/dbraw/zinc/00/16/73/386001673.db2.gz	LNRFNPKOQGRTFS-UHFFFAOYSA-N	-2	3	236.179	0.831	50	10	in-vitro	BCCAHL
O=C([O-])[C@H]1CS[C@H](c2cccc(O)c2[O-])N1	ZINC000000053457	344101578	/nfs/dbraw/zinc/10/15/78/344101578.db2.gz	WNYPXOJDKRDVNY-HZGVNTEJSA-N	-2	3	241.268	0.886	50	10		BCCAHL