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)[N-]S(=O)(=O)NC(C)=O	1708258	166278506	/nfs/dbraw/zinc/27/85/06/166278506.db2.gz	OVGZINHUJMXVOO-UHFFFAOYSA-N	-1	2	180.185	-1.497	50	0		AAAALM
COc1c([O-])[nH]c(=O)[nH]c1=O	118216881	168225474	/nfs/dbraw/zinc/22/54/74/168225474.db2.gz	FGKVVWXNTCPMDF-UHFFFAOYSA-N	-1	2	158.113	-1.223	50	0		AAAALM
NC(=O)C[NH+](CC(=O)[O-])CC(=O)[O-]	2545127	169152004	/nfs/dbraw/zinc/15/20/04/169152004.db2.gz	QZTKDVCDBIDYMD-UHFFFAOYSA-N	-1	2	190.155	-2.057	50	0	in-vivo	AAAALM
[NH3+]N(CC(=O)[O-])CC(=O)[O-]	19167413	169232150	/nfs/dbraw/zinc/23/21/50/169232150.db2.gz	QQQMJWSOHKTWDZ-UHFFFAOYSA-N	-1	2	148.118	-1.669	50	0	in-vitro	AAAALM
NNc1nnc2c(=O)[nH]c(=O)nc-2[n-]1	5790513	169240197	/nfs/dbraw/zinc/24/01/97/169240197.db2.gz	BYFJYVVOZULSEI-UHFFFAOYSA-N	-1	2	195.142	-1.901	50	0		AAAALM
NNc1nnc2c(=O)[n-]c(=O)nc-2[nH]1	5790513	169240198	/nfs/dbraw/zinc/24/01/98/169240198.db2.gz	BYFJYVVOZULSEI-UHFFFAOYSA-N	-1	2	195.142	-1.901	50	0		AAAALM
[NH3+][C@@H](CO[P@@](=O)([O-])O)C(=O)[O-]	3869280	169245363	/nfs/dbraw/zinc/24/53/63/169245363.db2.gz	BZQFBWGGLXLEPQ-REOHCLBHSA-N	-1	2	185.072	-1.492	50	0	endogenous,world	AAAALM
[NH3+][C@@H](CO[P@](=O)([O-])O)C(=O)[O-]	3869280	169245364	/nfs/dbraw/zinc/24/53/64/169245364.db2.gz	BZQFBWGGLXLEPQ-REOHCLBHSA-N	-1	2	185.072	-1.492	50	0	endogenous,world	AAAALM
[NH3+][C@H](CO[P@@](=O)([O-])O)C(=O)[O-]	3869281	169267715	/nfs/dbraw/zinc/26/77/15/169267715.db2.gz	BZQFBWGGLXLEPQ-UWTATZPHSA-N	-1	2	185.072	-1.492	50	0	endogenous,in-man	AAAALM
[NH3+][C@H](CO[P@](=O)([O-])O)C(=O)[O-]	3869281	169267717	/nfs/dbraw/zinc/26/77/17/169267717.db2.gz	BZQFBWGGLXLEPQ-UWTATZPHSA-N	-1	2	185.072	-1.492	50	0	endogenous,in-man	AAAALM
Nc1nnc(CCC(=O)[O-])c(=O)[nH]1	5128987	169311290	/nfs/dbraw/zinc/31/12/90/169311290.db2.gz	FUPLOPZRMXCXPC-UHFFFAOYSA-N	-1	2	184.155	-1.236	50	0	in-vitro	AAAALM
O=C([O-])CCc1n[nH]c(=O)[nH]c1=O	3901823	169340555	/nfs/dbraw/zinc/34/05/55/169340555.db2.gz	FTUSGQKLNKHJQS-UHFFFAOYSA-N	-1	2	185.139	-1.525	50	0	in-vitro	AAAALM
O=C([O-])C[NH2+]C[P@](=O)([O-])O	3872713	169341286	/nfs/dbraw/zinc/34/12/86/169341286.db2.gz	XDDAORKBJWWYJS-UHFFFAOYSA-N	-1	2	169.073	-1.204	50	0	in-vivo	AAAALM
O=C([O-])C[NH2+]C[P@@](=O)([O-])O	3872713	169341288	/nfs/dbraw/zinc/34/12/88/169341288.db2.gz	XDDAORKBJWWYJS-UHFFFAOYSA-N	-1	2	169.073	-1.204	50	0	in-vivo	AAAALM
O=C([O-])Cc1n[nH]c(=O)[nH]1	19089113	169344167	/nfs/dbraw/zinc/34/41/67/169344167.db2.gz	AWGDAHKJDXJEOJ-UHFFFAOYSA-N	-1	2	143.102	-1.275	50	0	in-vitro	AAAALM
O=C([O-])Cn1[nH]c(=O)ccc1=O	1848213	169345078	/nfs/dbraw/zinc/34/50/78/169345078.db2.gz	XVSCOGMAPCVMSV-UHFFFAOYSA-N	-1	2	170.124	-1.379	50	0	in-vitro	AAAALM
O=C([O-])c1n[nH]c(=O)[nH]c1=O	3131419	169361212	/nfs/dbraw/zinc/36/12/12/169361212.db2.gz	PLKNGGRZZIWWLD-UHFFFAOYSA-N	-1	2	157.085	-1.844	50	0		AAAALM
C[C@H](O[P@@](=O)([O-])O)[C@@H]([NH3+])C(=O)[O-]	1574932	342948432	/nfs/dbraw/zinc/94/84/32/342948432.db2.gz	USRGIUJOYOXOQJ-STHAYSLISA-N	-1	2	199.099	-1.104	50	0	in-vivo	AAAALM
C[C@H](O[P@](=O)([O-])O)[C@@H]([NH3+])C(=O)[O-]	1574932	342948434	/nfs/dbraw/zinc/94/84/34/342948434.db2.gz	USRGIUJOYOXOQJ-STHAYSLISA-N	-1	2	199.099	-1.104	50	0	in-vivo	AAAALM
C[C@H](O[P@@](=O)([O-])O)[C@H]([NH3+])C(=O)[O-]	1574931	342948491	/nfs/dbraw/zinc/94/84/91/342948491.db2.gz	USRGIUJOYOXOQJ-HRFVKAFMSA-N	-1	2	199.099	-1.104	50	0	in-vitro	AAAALM
C[C@H](O[P@](=O)([O-])O)[C@H]([NH3+])C(=O)[O-]	1574931	342948493	/nfs/dbraw/zinc/94/84/93/342948493.db2.gz	USRGIUJOYOXOQJ-HRFVKAFMSA-N	-1	2	199.099	-1.104	50	0	in-vitro	AAAALM
C[C@]([NH3+])(CO[P@@](=O)([O-])O)C(=O)[O-]	2568199	342977767	/nfs/dbraw/zinc/97/77/67/342977767.db2.gz	GSFCOAGADOGIGE-BYPYZUCNSA-N	-1	2	199.099	-1.102	50	0	in-vitro	AAAALM
C[C@]([NH3+])(CO[P@](=O)([O-])O)C(=O)[O-]	2568199	342977770	/nfs/dbraw/zinc/97/77/70/342977770.db2.gz	GSFCOAGADOGIGE-BYPYZUCNSA-N	-1	2	199.099	-1.102	50	0	in-vitro	AAAALM
C[C@@H](O[P@@](=O)([O-])O)[C@H]([NH3+])C(=O)[O-]	1532464	351287184	/nfs/dbraw/zinc/28/71/84/351287184.db2.gz	USRGIUJOYOXOQJ-GBXIJSLDSA-N	-1	2	199.099	-1.104	50	0	endogenous,in-man	AAAALM
C[C@@H](O[P@](=O)([O-])O)[C@H]([NH3+])C(=O)[O-]	1532464	351287186	/nfs/dbraw/zinc/28/71/86/351287186.db2.gz	USRGIUJOYOXOQJ-GBXIJSLDSA-N	-1	2	199.099	-1.104	50	0	endogenous,in-man	AAAALM
C[C@@H](O[P@@](=O)([O-])O)[C@@H]([NH3+])C(=O)[O-]	1574933	351288563	/nfs/dbraw/zinc/28/85/63/351288563.db2.gz	USRGIUJOYOXOQJ-PWNYCUMCSA-N	-1	2	199.099	-1.104	50	0	in-vitro	AAAALM
C[C@@H](O[P@](=O)([O-])O)[C@@H]([NH3+])C(=O)[O-]	1574933	351288566	/nfs/dbraw/zinc/28/85/66/351288566.db2.gz	USRGIUJOYOXOQJ-PWNYCUMCSA-N	-1	2	199.099	-1.104	50	0	in-vitro	AAAALM
O=[P@@]([O-])(O)OC[C@H](O)CO	3830896	351320674	/nfs/dbraw/zinc/32/06/74/351320674.db2.gz	AWUCVROLDVIAJX-GSVOUGTGSA-N	-1	2	172.073	-1.551	50	0	endogenous,world	AAAALM
O=[P@]([O-])(O)OC[C@H](O)CO	3830896	351320666	/nfs/dbraw/zinc/32/06/66/351320666.db2.gz	AWUCVROLDVIAJX-GSVOUGTGSA-N	-1	2	172.073	-1.551	50	0	endogenous,world	AAAALM
O=[P@]([O-])(O)OC[C@@H](O)CO	3830895	351320968	/nfs/dbraw/zinc/32/09/68/351320968.db2.gz	AWUCVROLDVIAJX-VKHMYHEASA-N	-1	2	172.073	-1.551	50	0	metabolite,world	AAAALM
O=[P@@]([O-])(O)OC[C@@H](O)CO	3830895	351320975	/nfs/dbraw/zinc/32/09/75/351320975.db2.gz	AWUCVROLDVIAJX-VKHMYHEASA-N	-1	2	172.073	-1.551	50	0	metabolite,world	AAAALM
C[C@@]([NH3+])(CO[P@@](=O)([O-])O)C(=O)[O-]	3995718	351324210	/nfs/dbraw/zinc/32/42/10/351324210.db2.gz	GSFCOAGADOGIGE-SCSAIBSYSA-N	-1	2	199.099	-1.102	50	0	in-vitro	AAAALM
C[C@@]([NH3+])(CO[P@](=O)([O-])O)C(=O)[O-]	3995718	351324214	/nfs/dbraw/zinc/32/42/14/351324214.db2.gz	GSFCOAGADOGIGE-SCSAIBSYSA-N	-1	2	199.099	-1.102	50	0	in-vitro	AAAALM
O=C([O-])c1cn(O)c(=O)[nH]c1=O	238688139	526402555	/nfs/dbraw/zinc/40/25/55/526402555.db2.gz	IMIYZZJJQRVOFA-UHFFFAOYSA-N	-1	2	172.096	-1.116	50	0		AAAALM