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-])c1nnc2cc(Br)ccn21	ZINC000098213729	386683685	/nfs/dbraw/zinc/68/36/85/386683685.db2.gz	VNFUVTRWQVNKQY-UHFFFAOYSA-N	-1	0	242.032	1.190	30	0		BDACRM
O=C([O-])CCCN1COc2ccccc2C1=O	ZINC000004294460	387435794	/nfs/dbraw/zinc/43/57/94/387435794.db2.gz	CNTYGIDWJTZEEA-UHFFFAOYSA-N	-1	0	235.239	1.344	30	0		BDACRM
CCOC(=O)c1nn(-c2ccccc2C)c(=O)[n-]1	ZINC000015444123	170309127	/nfs/dbraw/zinc/30/91/27/170309127.db2.gz	NGQFPUMPMSQOFY-UHFFFAOYSA-N	-1	0	247.254	1.046	30	0		BDACRM
O=C([O-])CCCCN1COc2ccccc2C1=O	ZINC000004294459	387435485	/nfs/dbraw/zinc/43/54/85/387435485.db2.gz	SZCGVRDHMGBDDC-UHFFFAOYSA-N	-1	0	249.266	1.734	30	0		BDACRM
CCc1nnc(SCC(=O)[O-])n1CC	ZINC000004294297	172062706	/nfs/dbraw/zinc/06/27/06/172062706.db2.gz	LBDOQCZZSLLFNU-UHFFFAOYSA-N	-1	0	215.278	1.037	30	0		BDACRM
Cc1nn(CC2CCOCC2)c(C)c1C(=O)[O-]	ZINC000052173437	180386481	/nfs/dbraw/zinc/38/64/81/180386481.db2.gz	ZJKUHOBGOIBGPW-UHFFFAOYSA-N	-1	0	238.287	1.625	30	0		BDACRM
O=C([O-])c1ccc(C(=O)N2CCCC2)s1	ZINC000035185468	182564865	/nfs/dbraw/zinc/56/48/65/182564865.db2.gz	WMXRWGATDPMUQW-UHFFFAOYSA-N	-1	0	225.269	1.682	30	0		BDACRM
O=C([O-])[C@H](O)Cc1ccc(Cl)cc1Cl	ZINC000006091941	182527504	/nfs/dbraw/zinc/52/75/04/182527504.db2.gz	NBORNXKEEFIAMC-MRVPVSSYSA-N	-1	0	235.066	1.981	30	0		BDACRM
CC(C)(C)OC(=O)C=C1CC(C(=O)[O-])C1	ZINC000146254137	387853621	/nfs/dbraw/zinc/85/36/21/387853621.db2.gz	NXVQBHKRTUAEBN-UHFFFAOYSA-N	-1	0	212.245	1.749	30	0		BDACRM
CC(=O)Nc1c([O-])c2ccccc2oc1=O	ZINC000005685860	190975918	/nfs/dbraw/zinc/97/59/18/190975918.db2.gz	RDZIQFIWRUHEJJ-UHFFFAOYSA-N	-1	0	219.196	1.457	30	0		BDACRM
CS(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1	ZINC000082608061	387854693	/nfs/dbraw/zinc/85/46/93/387854693.db2.gz	USCMLKYAHGSQSS-UHFFFAOYSA-N	-1	0	240.280	1.206	30	0		BDACRM
CN1c2ccc(Cl)cc2S(=O)(=O)[N-]C1=O	ZINC000015444360	132323003	/nfs/dbraw/zinc/32/30/03/132323003.db2.gz	JIJQUHAXUWATKU-UHFFFAOYSA-N	-1	0	246.675	1.393	30	0		BDACRM
O=C([O-])[C@@H](O)Cc1ccc(Cl)cc1Cl	ZINC000006091940	357337289	/nfs/dbraw/zinc/33/72/89/357337289.db2.gz	NBORNXKEEFIAMC-QMMMGPOBSA-N	-1	0	235.066	1.981	30	0		BDACRM
CCOc1cccc(NC(=O)/C=C\C(=O)[O-])c1	ZINC000033770393	170581046	/nfs/dbraw/zinc/58/10/46/170581046.db2.gz	YVGJSPGOWDHGIO-SREVYHEPSA-N	-1	0	235.239	1.665	30	0		BDACRM
COc1ccc(OC)c([S@@](=O)[O-])c1	ZINC000036533493	175169881	/nfs/dbraw/zinc/16/98/81/175169881.db2.gz	OPYXIZNAGGLVNZ-UHFFFAOYSA-N	-1	0	202.231	1.284	30	0		BDACRM
CC(=O)c1nn(-c2cccc(C)c2)c(=O)[n-]1	ZINC000015444181	384929923	/nfs/dbraw/zinc/92/99/23/384929923.db2.gz	IFXPGABUJLTNAD-UHFFFAOYSA-N	-1	0	217.228	1.072	30	0		BDACRM
O=C([O-])c1cc(CN2CCCCC2=O)ccc1O	ZINC000004294470	360464935	/nfs/dbraw/zinc/46/49/35/360464935.db2.gz	QLHYKMPWEDNUEI-UHFFFAOYSA-N	-1	0	249.266	1.603	30	0		BDACRM
CCn1nccc1-c1cc(C(=O)[O-])on1	ZINC000002538070	172256259	/nfs/dbraw/zinc/25/62/59/172256259.db2.gz	AXSGZXQFWUAUPO-UHFFFAOYSA-N	-1	0	207.189	1.256	30	0		BDACRM