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)C(=O)CSCCC(=O)[O-]	1588486066	958610116	/nfs/dbraw/zinc/61/01/16/958610116.db2.gz	POCPZRYQPUASHU-UHFFFAOYSA-N	-1	0	190.220	0.352	20	10		ACCDRM
CC(=O)C(=O)CS[C@@H](C)C(=O)[O-]	1588486442	958611245	/nfs/dbraw/zinc/61/12/45/958611245.db2.gz	YHMYUWXROFEUFB-YFKPBYRVSA-N	-1	0	190.220	0.351	20	10		ACCDRM
CC(=O)C(=O)CS[C@H](C)C(=O)[O-]	1588486441	958611463	/nfs/dbraw/zinc/61/14/63/958611463.db2.gz	YHMYUWXROFEUFB-RXMQYKEDSA-N	-1	0	190.220	0.351	20	10		ACCDRM
O=C([O-])CC[NH2+]Cc1ccccc1O	36892021	572074242	/nfs/dbraw/zinc/07/42/42/572074242.db2.gz	ATWYAYYXLCVCME-UHFFFAOYSA-N	-1	0	195.218	0.957	20	10		ACCDRM
O=Cc1c(C(=O)[O-])ccc(O)c1O	104681885	573178316	/nfs/dbraw/zinc/17/83/16/573178316.db2.gz	XVZYAHCEQHPKQL-UHFFFAOYSA-N	-1	0	182.131	0.609	20	10		ACCDRM
O=Cc1c(C(=O)[O-])cc(O)c(O)c1O	224537615	573677285	/nfs/dbraw/zinc/67/72/85/573677285.db2.gz	HTSMVAGZIZZMGA-UHFFFAOYSA-N	-1	0	198.130	0.314	20	10		ACCDRM
O=C1Nc2cc([O-])c(O)cc2C1=O	32628169	169389520	/nfs/dbraw/zinc/38/95/20/169389520.db2.gz	KMFFETWPWLONNU-UHFFFAOYSA-N	-1	0	179.131	0.233	20	10		ACCDRM
NC(=O)C1C=C(Cl)C(=O)N=C1[O-]	75578860	171113527	/nfs/dbraw/zinc/11/35/27/171113527.db2.gz	AMYFOJLIWDFAFA-UHFFFAOYSA-N	-1	0	188.570	0.245	20	10		ACCDRM
COc1ccc(O)c(O)c1C(=O)[O-]	14775636	219805306	/nfs/dbraw/zinc/80/53/06/219805306.db2.gz	UYIMUZPVXLUSDF-UHFFFAOYSA-N	-1	0	184.147	0.805	20	10		ACCDRM
CN(CC(=O)[O-])c1ccc(N)cc1	51040270	343288067	/nfs/dbraw/zinc/28/80/67/343288067.db2.gz	BBHZXMXCSXNSCJ-UHFFFAOYSA-N	-1	0	180.207	0.790	20	10		ACCDRM
O=c1cc(F)cc([O-])[nH]1	306962274	345721010	/nfs/dbraw/zinc/72/10/10/345721010.db2.gz	FYMYOZVEFWQCST-UHFFFAOYSA-N	-1	0	129.090	0.632	20	10		ACCDRM
O=C([O-])C(=O)NCc1ccccc1O	238668489	630833683	/nfs/dbraw/zinc/83/36/83/630833683.db2.gz	ZKGQLQQDZZWZCY-UHFFFAOYSA-N	-1	0	195.174	0.093	20	10		ACCDRM