smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1nc2c(ncn2[C@H]2C[C@H](O)[C@@H](CO[P@](=O)([O-])O)O2)c(=S)[nH]1	ZINC000001609814	560183005	/nfs/dbraw/zinc/18/30/05/560183005.db2.gz	YIPMDIYPXBPBNC-KVQBGUIXSA-N	-1	2	363.292	-0.171	1	0	in-vitro	FBAFLM
Nc1nc2c(ncn2[C@H]2C[C@H](O)[C@@H](CO[P@@](=O)([O-])O)O2)c(=S)[nH]1	ZINC000001609814	560183004	/nfs/dbraw/zinc/18/30/04/560183004.db2.gz	YIPMDIYPXBPBNC-KVQBGUIXSA-N	-1	2	363.292	-0.171	1	0	in-vitro	FBAFLM
COC[C@H]([NH2+]Cc1c(CO[P@](=O)([O-])O)cnc(C)c1O)C(=O)[O-]	ZINC000002047394	560186374	/nfs/dbraw/zinc/18/63/74/560186374.db2.gz	DEHSEGNQBACQEW-JTQLQIEISA-N	-1	2	350.264	-0.106	1	0	in-vitro	FBAFLM
COC[C@H]([NH2+]Cc1c(CO[P@@](=O)([O-])O)cnc(C)c1O)C(=O)[O-]	ZINC000002047394	560186372	/nfs/dbraw/zinc/18/63/72/560186372.db2.gz	DEHSEGNQBACQEW-JTQLQIEISA-N	-1	2	350.264	-0.106	1	0	in-vitro	FBAFLM
Cc1ncc(CO[P@](=O)([O-])O)c(C[NH2+][C@H](C(=O)[O-])[C@H](C)O)c1O	ZINC000002047762	210151103	/nfs/dbraw/zinc/15/11/03/210151103.db2.gz	IZWQBQLGLAKRMN-XVKPBYJWSA-N	-1	2	350.264	-0.371	1	0	in-vivo	FBAFLM
Cc1ncc(CO[P@@](=O)([O-])O)c(C[NH2+][C@H](C(=O)[O-])[C@H](C)O)c1O	ZINC000002047762	210151098	/nfs/dbraw/zinc/15/10/98/210151098.db2.gz	IZWQBQLGLAKRMN-XVKPBYJWSA-N	-1	2	350.264	-0.371	1	0	in-vivo	FBAFLM
O=[P@@]([O-])(O)OCCOCCOCCOCCOCCOCCO	ZINC000005828801	560203332	/nfs/dbraw/zinc/20/33/32/560203332.db2.gz	PTMCGHPIYOSATH-UHFFFAOYSA-N	-1	2	362.312	-0.829	1	0	in-vitro	FBAFLM
O=[P@]([O-])(O)OCCOCCOCCOCCOCCOCCO	ZINC000005828801	560203331	/nfs/dbraw/zinc/20/33/31/560203331.db2.gz	PTMCGHPIYOSATH-UHFFFAOYSA-N	-1	2	362.312	-0.829	1	0	in-vitro	FBAFLM
O=c1nc(NO)c(Cl)cn1[C@H]1C[C@H](O)[C@@H](CO[P@](=O)([O-])O)O1	ZINC000013835497	211062052	/nfs/dbraw/zinc/06/20/52/211062052.db2.gz	LPQTXABYZTYBDH-RRKCRQDMSA-N	-1	2	357.643	-0.545	1	0		FBAFLM
O=c1nc(NO)c(Cl)cn1[C@H]1C[C@H](O)[C@@H](CO[P@@](=O)([O-])O)O1	ZINC000013835497	211062050	/nfs/dbraw/zinc/06/20/50/211062050.db2.gz	LPQTXABYZTYBDH-RRKCRQDMSA-N	-1	2	357.643	-0.545	1	0		FBAFLM
O=P([O-])(O)C(O)(C[n+]1cccc(Br)c1)[P@](=O)([O-])O	ZINC000040762415	205081210	/nfs/dbraw/zinc/08/12/10/205081210.db2.gz	DAGCLYYZRVQIAU-UHFFFAOYSA-O	-1	2	363.017	-0.262	1	0		FBAFLM
O=P([O-])(O)C(O)(C[n+]1cccc(Br)c1)[P@@](=O)([O-])O	ZINC000040762415	205081206	/nfs/dbraw/zinc/08/12/06/205081206.db2.gz	DAGCLYYZRVQIAU-UHFFFAOYSA-O	-1	2	363.017	-0.262	1	0		FBAFLM
Cc1ccccc1-c1cn([C@@H]2O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]2O)nn1	ZINC000066076737	221240179	/nfs/dbraw/zinc/24/01/79/221240179.db2.gz	FOCMGAXOSZTWIH-AAVRWANBSA-N	-1	2	371.286	-0.018	1	0		FBAFLM
Cc1ccccc1-c1cn([C@@H]2O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)nn1	ZINC000066076737	221240177	/nfs/dbraw/zinc/24/01/77/221240177.db2.gz	FOCMGAXOSZTWIH-AAVRWANBSA-N	-1	2	371.286	-0.018	1	0		FBAFLM
O=[P@@]([O-])(O)OC[C@H]1O[C@@H](n2cc(-c3ccccc3)nn2)[C@H](O)[C@@H]1O	ZINC000066098522	205364629	/nfs/dbraw/zinc/36/46/29/205364629.db2.gz	OFPDGUZXIMYCKW-FDYHWXHSSA-N	-1	2	357.259	-0.326	1	0		FBAFLM
O=[P@]([O-])(O)OC[C@H]1O[C@@H](n2cc(-c3ccccc3)nn2)[C@H](O)[C@@H]1O	ZINC000066098522	205364627	/nfs/dbraw/zinc/36/46/27/205364627.db2.gz	OFPDGUZXIMYCKW-FDYHWXHSSA-N	-1	2	357.259	-0.326	1	0		FBAFLM
Nc1ccccc1-c1cn([C@@H]2O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]2O)nn1	ZINC000066102920	221241438	/nfs/dbraw/zinc/24/14/38/221241438.db2.gz	RWMRPJYQYAECAR-FDYHWXHSSA-N	-1	2	372.274	-0.744	1	0		FBAFLM
Nc1ccccc1-c1cn([C@@H]2O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)nn1	ZINC000066102920	221241435	/nfs/dbraw/zinc/24/14/35/221241435.db2.gz	RWMRPJYQYAECAR-FDYHWXHSSA-N	-1	2	372.274	-0.744	1	0		FBAFLM
CCSc1nc(=O)ccn1[C@@H]1O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000071319154	221342833	/nfs/dbraw/zinc/34/28/33/221342833.db2.gz	HAIWBDSVRZGGKI-PEBGCTIMSA-N	-1	2	368.304	-0.916	1	0		FBAFLM
CCSc1nc(=O)ccn1[C@@H]1O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000071319154	221342831	/nfs/dbraw/zinc/34/28/31/221342831.db2.gz	HAIWBDSVRZGGKI-PEBGCTIMSA-N	-1	2	368.304	-0.916	1	0		FBAFLM