smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1ccc(O[C@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc1	ZINC000001319719	372752511	/nfs/dbraw/zinc/75/25/11/372752511.db2.gz	MIAKOEWBCMPCQR-OOCWMUITSA-N	0	0	271.269	-1.553	10	10		CACERN
Nc1ccc(O[C@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)cc1	ZINC000012503323	372788253	/nfs/dbraw/zinc/78/82/53/372788253.db2.gz	MIAKOEWBCMPCQR-JCIQBVFBSA-N	0	0	271.269	-1.553	10	10		CACERN
Nc1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)cc1	ZINC000015206325	373591664	/nfs/dbraw/zinc/59/16/64/373591664.db2.gz	MIAKOEWBCMPCQR-IYKVGLELSA-N	0	0	271.269	-1.553	10	10		CACERN
[N-]=[N+]=N[C@]1(CO)O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O	ZINC000028884893	374136924	/nfs/dbraw/zinc/13/69/24/374136924.db2.gz	FHPJZSIIXUQGQE-JVZYCSMKSA-N	0	0	285.216	-2.214	10	10		CACERN
Nc1ccc(O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1	ZINC000005933321	170157749	/nfs/dbraw/zinc/15/77/49/170157749.db2.gz	MIAKOEWBCMPCQR-IIRVCBMXSA-N	0	0	271.269	-1.553	10	10	in-vivo	CACERN
[N-]=[N+]=N[C@@]1(CO)O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1O	ZINC000669679119	545550293	/nfs/dbraw/zinc/55/02/93/545550293.db2.gz	FHPJZSIIXUQGQE-JAKMQLQISA-N	0	0	285.216	-1.802	10	10		CACERN
Nc1ccc(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)cc1	ZINC000002539696	372751281	/nfs/dbraw/zinc/75/12/81/372751281.db2.gz	MIAKOEWBCMPCQR-PREPNJAASA-N	0	0	271.269	-1.553	10	10		CACERN
Nc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc1	ZINC000015205834	372791546	/nfs/dbraw/zinc/79/15/46/372791546.db2.gz	MIAKOEWBCMPCQR-LZQZFOIKSA-N	0	0	271.269	-1.553	10	10		CACERN
[N-]=[N+]=NCc1cn([C@@H]2C[C@H](O)[C@H](CO)O2)c(=O)[nH]c1=O	ZINC000005437232	170099059	/nfs/dbraw/zinc/09/90/59/170099059.db2.gz	JKSAKMHLWMCADM-FXQIFTODSA-N	0	0	283.244	-1.012	10	10		CACERN
Cc1cn([C@@H]2O[C@H](CO)[C@H](O)[C@H]2N=[N+]=[N-])c(=O)[nH]c1=O	ZINC000085475067	179078938	/nfs/dbraw/zinc/07/89/38/179078938.db2.gz	JEIPQKWFUIEONT-JAGXHNFQSA-N	0	0	283.244	-1.225	10	10		CACERN
[N-]=[N+]=NCc1cn([C@@H]2C[C@@H](O)[C@H](CO)O2)c(=O)[nH]c1=O	ZINC000005437234	170098996	/nfs/dbraw/zinc/09/89/96/170098996.db2.gz	JKSAKMHLWMCADM-CSMHCCOUSA-N	0	0	283.244	-1.012	10	10		CACERN
Nc1ccc(O[C@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1	ZINC000022048766	171350702	/nfs/dbraw/zinc/35/07/02/171350702.db2.gz	MIAKOEWBCMPCQR-MJDLHHQISA-N	0	0	271.269	-1.553	10	10	in-vitro	CACERN
Nc1ccc(CS(=O)(=O)NCCS(N)(=O)=O)cc1	ZINC000036744589	172672238	/nfs/dbraw/zinc/67/22/38/172672238.db2.gz	MYDFVUQBIBLMIN-UHFFFAOYSA-N	0	0	293.370	-1.023	10	10		CACERN
[N-]=[N+]=NC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O	ZINC000013542743	560219365	/nfs/dbraw/zinc/21/93/65/560219365.db2.gz	ZXEWVLLJHQSJOW-XVFCMESISA-N	0	0	269.217	-1.534	10	10	in-vitro	CACERN
Nc1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1	ZINC000104841809	186027538	/nfs/dbraw/zinc/02/75/38/186027538.db2.gz	MIAKOEWBCMPCQR-CSYMLDBXSA-N	0	0	271.269	-1.553	10	10		CACERN
Nc1ccc(O[C@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)cc1	ZINC000044960169	373455304	/nfs/dbraw/zinc/45/53/04/373455304.db2.gz	MIAKOEWBCMPCQR-OSUNSFLBSA-N	0	0	271.269	-1.553	10	10	in-vitro	CACERN
Nc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)cc1	ZINC000012503321	170490996	/nfs/dbraw/zinc/49/09/96/170490996.db2.gz	MIAKOEWBCMPCQR-PZWNZHSQSA-N	0	0	271.269	-1.553	10	10		CACERN
NC(=O)CN(CC(N)=O)Cc1cc(N)ccc1O	ZINC000061804454	526880480	/nfs/dbraw/zinc/88/04/80/526880480.db2.gz	ROWAQKCHRITAKQ-UHFFFAOYSA-N	0	0	252.274	-1.253	10	10		CACERN