smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1N[C@@]2(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)C(=O)N1[O-]	ZINC000005829994	170144847	/nfs/dbraw/zinc/14/48/47/170144847.db2.gz	IHDZZZHACPJCFJ-PAFFDYNNSA-N	-1	0	264.190	-3.903	1	30		CAEFRM
O=C1N[C@]2(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)C(=O)N1[O-]	ZINC000006753374	170240896	/nfs/dbraw/zinc/24/08/96/170240896.db2.gz	IHDZZZHACPJCFJ-WGRAPJIFSA-N	-1	0	264.190	-3.903	1	30		CAEFRM
N#Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[n-]c1=O	ZINC000027308357	171512537	/nfs/dbraw/zinc/51/25/37/171512537.db2.gz	FJZRCDHFLPXKEK-XLPZGREQSA-N	-1	0	253.214	-1.951	1	30		CAEFRM
O=C(NO)[C@@H](O)[C@H](O)[C@H](O)CC[P@@](=O)([O-])O	ZINC000045348854	175361530	/nfs/dbraw/zinc/36/15/30/175361530.db2.gz	PQCWXLKSZOWMHZ-WDCZJNDASA-N	-1	0	259.151	-2.858	1	30		CAEFRM
NC(=O)[C@H](CC(=O)[O-])NC(=O)CNC(=O)CS	ZINC000049019826	526993203	/nfs/dbraw/zinc/99/32/03/526993203.db2.gz	LYKFSKFLRHHULG-BYPYZUCNSA-N	-1	0	263.275	-2.523	1	30		CAEFRM
NC(N[C@H](CC(=O)[O-])C(=O)[O-])=[NH+]OCC[C@@H]([NH3+])C(=O)[O-]	ZINC000059065046	574415326	/nfs/dbraw/zinc/41/53/26/574415326.db2.gz	SGYMGUGIGTWWLU-RFZPGFLSSA-N	-1	0	292.248	-2.448	1	30	endogenous,in-man	CAEFRM
Nc1ncnc2c1ncn2[C@@H]1O[C@H](/C=N\[O-])[C@@H](O)[C@@H]1O	ZINC000101620547	581100335	/nfs/dbraw/zinc/10/03/35/581100335.db2.gz	PQUIYLVBEAXSHI-LKVZMFDUSA-N	-1	0	280.244	-1.512	1	30		CAEFRM
O=C[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)COP(=O)([O-])[O-]	ZINC000104861721	186029134	/nfs/dbraw/zinc/02/91/34/186029134.db2.gz	VFRROHXSMXFLSN-AZGQCCRYSA-N	-1	0	260.135	-3.262	1	30		CAEFRM
O=S(=O)([O-])Oc1c(O)oc([C@@H](O)CO)c1O	ZINC000005178938	170074037	/nfs/dbraw/zinc/07/40/37/170074037.db2.gz	SKKZOYBAANIUOV-ZAFYKAAXSA-N	-1	0	256.188	-2.146	1	30		CAEFRM
NC(=NC(=O)NC[C@@H](CO)OC[P@@](=O)([O-])O)NC=O	ZINC000035259970	172091833	/nfs/dbraw/zinc/09/18/33/172091833.db2.gz	CPFLCVNPSGPNHC-YFKPBYRVSA-N	-1	0	298.192	-1.890	1	30		CAEFRM
NC(N)=NC(=O)NC[C@H]1CO[P@@](=O)([O-])CO1	ZINC000040380744	174250757	/nfs/dbraw/zinc/25/07/57/174250757.db2.gz	KPMBFVGLDNCYQR-BYPYZUCNSA-N	-1	0	252.167	-1.472	1	30		CAEFRM
N#Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2F)c(=O)[n-]c1=O	ZINC000071316262	176122157	/nfs/dbraw/zinc/12/21/57/176122157.db2.gz	XUBDPOWAVQGWBR-JXOAFFINSA-N	-1	0	271.204	-1.591	1	30		CAEFRM
Nc1ncnc2c1ncn2[C@@H]1O[C@H](C=N[O-])[C@@H](O)[C@@H]1O	ZINC000299815018	581100375	/nfs/dbraw/zinc/10/03/75/581100375.db2.gz	PQUIYLVBEAXSHI-UHTZMRCNSA-N	-1	0	280.244	-1.512	1	30		CAEFRM
Nc1ncnc2c1ncn2[C@@H]1O[C@H](/C=N/[O-])[C@@H](O)[C@H]1O	ZINC000013762053	581100428	/nfs/dbraw/zinc/10/04/28/581100428.db2.gz	PQUIYLVBEAXSHI-GKICBIBPSA-N	-1	0	280.244	-1.512	1	30		CAEFRM
Nc1ncnc2c1ncn2[C@H]1O[C@@H](/C=N/[O-])[C@H](O)[C@@H]1O	ZINC000038314665	174139740	/nfs/dbraw/zinc/13/97/40/174139740.db2.gz	PQUIYLVBEAXSHI-GVCXHVLFSA-N	-1	0	280.244	-1.512	1	30		CAEFRM
[NH2+]=C(NCCC[C@@H]([NH3+])C(=O)[O-])N[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000013540155	560219116	/nfs/dbraw/zinc/21/91/16/560219116.db2.gz	KDZOASGQNOPSCU-PHDIDXHHSA-N	-1	0	290.276	-1.989	1	30	in-vitro	CAEFRM
NC(N[C@@H](CC(=O)[O-])C(=O)[O-])=[NH+]OCC[C@@H]([NH3+])C(=O)[O-]	ZINC000014919535	560227447	/nfs/dbraw/zinc/22/74/47/560227447.db2.gz	SGYMGUGIGTWWLU-UHNVWZDZSA-N	-1	0	292.248	-2.448	1	30	endogenous,in-man	CAEFRM
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](C=N[O-])[C@@H](O)[C@H]1O	ZINC000299820379	581100369	/nfs/dbraw/zinc/10/03/69/581100369.db2.gz	PQUIYLVBEAXSHI-HGOUYRHRSA-N	-1	0	280.244	-1.512	1	30		CAEFRM
Nc1ncnc2c1ncn2[C@@H]1O[C@H](C=N[O-])[C@@H](O)[C@H]1O	ZINC000253920738	581100383	/nfs/dbraw/zinc/10/03/83/581100383.db2.gz	PQUIYLVBEAXSHI-KQYNXXCUSA-N	-1	0	280.244	-1.512	1	30		CAEFRM
Nc1ncnc2c1ncn2[C@@H]1O[C@H](/C=N\[O-])[C@@H](O)[C@H]1O	ZINC000095544887	185008570	/nfs/dbraw/zinc/00/85/70/185008570.db2.gz	PQUIYLVBEAXSHI-CYSPMYMISA-N	-1	0	280.244	-1.512	1	30		CAEFRM
[NH2+]=C(NCCC[C@@H]([NH3+])C(=O)[O-])N[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000003870020	169918372	/nfs/dbraw/zinc/91/83/72/169918372.db2.gz	KDZOASGQNOPSCU-RITPCOANSA-N	-1	0	290.276	-1.989	1	30	in-vitro	CAEFRM
N#Cc1cn([C@H]2C[C@H](O)[C@@H](CO)S2)c(=O)[n-]c1=O	ZINC000006524050	170209884	/nfs/dbraw/zinc/20/98/84/170209884.db2.gz	OTKYBZXCZFHHJO-XLPZGREQSA-N	-1	0	269.282	-1.234	1	30		CAEFRM
O=C1N[C@]2(O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)C(=O)N1[O-]	ZINC000006753407	170240598	/nfs/dbraw/zinc/24/05/98/170240598.db2.gz	IHDZZZHACPJCFJ-PQDNFBNRSA-N	-1	0	264.190	-3.903	1	30		CAEFRM
NC(N)=NC(=O)NC[C@@H](CO)OC[P@@](=O)([O-])O	ZINC000035259971	172091609	/nfs/dbraw/zinc/09/16/09/172091609.db2.gz	GHHSSMFHIXUDTL-BYPYZUCNSA-N	-1	0	270.182	-2.518	1	30		CAEFRM
O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COS(=O)(=O)[O-]	ZINC000005132028	560200684	/nfs/dbraw/zinc/20/06/84/560200684.db2.gz	BCUVLMCXSDWQQC-SLPGGIOYSA-N	-1	0	260.220	-3.552	1	30	in-vitro	CAEFRM
NC(=[NH2+])NCCC[C@@H](NC(=O)CCC(=O)[O-])C(=O)[O-]	ZINC000003869657	571684297	/nfs/dbraw/zinc/68/42/97/571684297.db2.gz	UMOXFSXIFQOWTD-ZCFIWIBFSA-N	-1	0	274.277	-1.526	1	30	endogenous,world	CAEFRM
Nc1ncnc2c1ncn2[C@@H]1O[C@H](/C=N/[O-])[C@@H](O)[C@@H]1O	ZINC000029389119	581100458	/nfs/dbraw/zinc/10/04/58/581100458.db2.gz	PQUIYLVBEAXSHI-QZDCJZOJSA-N	-1	0	280.244	-1.512	1	30		CAEFRM