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-])c1nc(-c2cc3ccccc3s2)[nH]c(=O)c1[O-]	ZINC000009691985	170384493	/nfs/dbraw/zinc/38/44/93/170384493.db2.gz	BGCFNPHQWGPTSW-UHFFFAOYSA-N	-2	3	288.284	2.468	1	0		CEAFHL
Cc1ccc(-c2c[n-]n3c2nc(=S)[n-]c3=O)cc1	ZINC000096922740	185130938	/nfs/dbraw/zinc/13/09/38/185130938.db2.gz	IKFNXLVQIMEZGW-UHFFFAOYSA-N	-2	3	258.306	2.468	1	0		CEAFHL
CC(C)C(=O)Cc1c([O-])cc2oc(CO)cc(=O)c2c1[O-]	ZINC000103541195	290838219	/nfs/dbraw/zinc/83/82/19/290838219.db2.gz	YDBWBYJTRCBFKN-UHFFFAOYSA-N	-2	3	292.287	2.091	1	0	biogenic,in-vitro	CEAFHL
O=c1c(-c2nn[n-]n2)c[n-]c2c(Cl)c(Cl)ccc12	ZINC000095151642	184946576	/nfs/dbraw/zinc/94/65/76/184946576.db2.gz	ZPPYSNCDIPSIJK-UHFFFAOYSA-N	-2	3	282.090	2.015	1	0		CEAFHL
[O-]c1csc([N-]c2nnc(-c3ccc(F)cc3)s2)n1	ZINC000096932922	185132483	/nfs/dbraw/zinc/13/24/83/185132483.db2.gz	BRUZKTSQMZOBPO-UHFFFAOYSA-N	-2	3	294.336	2.386	1	0		CEAFHL
CCCc1c([O-])nc(Nc2nc3ccccc3[nH]2)[n-]c1=O	ZINC000022310059	171384371	/nfs/dbraw/zinc/38/43/71/171384371.db2.gz	RGDUVHJXEAPBEU-UHFFFAOYSA-N	-2	3	285.307	2.048	1	0		CEAFHL
O=c1[n-]c(=S)nc2c(-c3ccc(F)cc3)c[n-]n21	ZINC000096922736	185130703	/nfs/dbraw/zinc/13/07/03/185130703.db2.gz	XTTPYAQTALOJAP-UHFFFAOYSA-N	-2	3	262.269	2.299	1	0		CEAFHL
COc1c2c(c(C)c([O-])c1CC[C@H](C)C(=O)[O-])COC2=O	ZINC000045298512	175354657	/nfs/dbraw/zinc/35/46/57/175354657.db2.gz	GOPTVZWSXSONRC-ZETCQYMHSA-N	-2	3	294.303	2.033	1	0		CEAFHL
COc1ccc(-c2c[n-]n3c2nc(=S)[n-]c3=O)cc1	ZINC000096922742	185130752	/nfs/dbraw/zinc/13/07/52/185130752.db2.gz	WHPLIVQCNLWZSB-UHFFFAOYSA-N	-2	3	274.305	2.168	1	0		CEAFHL
COc1c2oc(CC(=O)[O-])c(C)c2c([O-])c(C)c1O	ZINC000033829745	560089007	/nfs/dbraw/zinc/08/90/07/560089007.db2.gz	WUQCNXQDMIAXNN-UHFFFAOYSA-N	-2	3	266.249	2.097	1	0	biogenic,in-vitro	CEAFHL
Cc1ccc(-c2cc3nc(=S)[n-]c(=O)n3[n-]2)cc1	ZINC000096928236	185132492	/nfs/dbraw/zinc/13/24/92/185132492.db2.gz	FWFNIWDKJJOJPY-UHFFFAOYSA-N	-2	3	258.306	2.468	1	0		CEAFHL
Cc1ccc2c(=O)c(-c3n[n-]c(=S)s3)c[n-]c2n1	ZINC000006522899	170209661	/nfs/dbraw/zinc/20/96/61/170209661.db2.gz	OANIEMQAPAOSRH-UHFFFAOYSA-N	-2	3	276.346	2.413	1	0		CEAFHL
COc1cccc(-c2ccc(CP(=O)([O-])[O-])nc2)c1	ZINC000072109643	176316867	/nfs/dbraw/zinc/31/68/67/176316867.db2.gz	VACTWWCCCMGIBH-UHFFFAOYSA-N	-2	3	279.232	2.435	1	0		CEAFHL
CC1(C)S[C@H](c2ccccc2C(=O)[O-])N[C@@H]1CC(=O)[O-]	ZINC000005742396	170135737	/nfs/dbraw/zinc/13/57/37/170135737.db2.gz	KNQNIFRMJRSVTK-ZYHUDNBSSA-N	-2	3	295.360	2.342	1	0		CEAFHL
COc1cc([O-])c(C(=O)c2cccc([O-])c2)c(OC)c1	ZINC000014725504	290842804	/nfs/dbraw/zinc/84/28/04/290842804.db2.gz	BGGQJSYKMBVXSB-UHFFFAOYSA-N	-2	3	274.272	2.346	1	0	biogenic,in-vitro	CEAFHL
O=c1[n-]c(=S)nc2cc(-c3ccc(F)cc3)[n-]n21	ZINC000096928232	185131750	/nfs/dbraw/zinc/13/17/50/185131750.db2.gz	LQURIYYFJXLKRZ-UHFFFAOYSA-N	-2	3	262.269	2.299	1	0		CEAFHL
COc1cc([O-])c(C(=O)c2ccc([O-])cc2)c([O-])c1	ZINC000014725541	560225073	/nfs/dbraw/zinc/22/50/73/560225073.db2.gz	MYEMIGSUACCKND-UHFFFAOYSA-N	-3	3	260.245	2.043	1	0	biogenic,in-vitro	CEAFHL
COc1cc([O-])c(C(=O)c2ccccc2[O-])cc1O	ZINC000014725498	560225117	/nfs/dbraw/zinc/22/51/17/560225117.db2.gz	XHNFQUHVRWGKJG-UHFFFAOYSA-N	-2	3	260.245	2.043	1	0	biogenic,in-vitro	CEAFHL
Cc1cc([O-])c(C(=O)c2c([O-])cccc2[O-])c(C(=O)[O-])c1	ZINC000014814544	560226563	/nfs/dbraw/zinc/22/65/63/560226563.db2.gz	UMNWQJSVQOCNEM-UHFFFAOYSA-N	-4	3	288.255	2.041	1	0	in-vitro	CEAFHL
Cc1cc([O-])c(C(=O)c2c([O-])cccc2O)c(C(=O)[O-])c1	ZINC000014814544	560226564	/nfs/dbraw/zinc/22/65/64/560226564.db2.gz	UMNWQJSVQOCNEM-UHFFFAOYSA-N	-3	3	288.255	2.041	1	0	in-vitro	CEAFHL