smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)OC[C@H](O)Cn1c(N=Nc2c([O-])[nH]c(=O)[nH]c2=O)nc2c1c(=O)[nH]c(=O)n2C	ZINC000002344808	569275523	/nfs/dbraw/zinc/27/55/23/569275523.db2.gz	MDWKGLHSAXQIDE-SSDOTTSWSA-N	-1	0	436.385	-1.817	50	30		IAEARM
CC(C)OC[C@@H](O)Cn1c(N=Nc2c([O-])[nH]c(=O)[nH]c2=O)nc2c1c(=O)[nH]c(=O)n2C	ZINC000002344813	569275399	/nfs/dbraw/zinc/27/53/99/569275399.db2.gz	MDWKGLHSAXQIDE-ZETCQYMHSA-N	-1	0	436.385	-1.817	50	30		IAEARM
C[S@@](=O)CCCC/C(=N\OS(=O)(=O)[O-])S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000004097574	560123203	/nfs/dbraw/zinc/12/32/03/560123203.db2.gz	GMMLNKINDDUDCF-CHWVLRCNSA-N	-1	0	437.514	-1.799	50	30	endogenous,in-man	IAEARM
C[S@](=O)CCCC/C(=N\OS(=O)(=O)[O-])S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000004097575	560123144	/nfs/dbraw/zinc/12/31/44/560123144.db2.gz	GMMLNKINDDUDCF-JRWRFYLSSA-N	-1	0	437.514	-1.799	50	30	endogenous,in-man	IAEARM
Cn1c2nc(N=Nc3c([O-])[nH]c(=O)[nH]c3=O)n(Cc3ccc(F)cc3)c2c(=O)[nH]c1=O	ZINC000009291298	569519829	/nfs/dbraw/zinc/51/98/29/569519829.db2.gz	HRSPNKKRWSFFKU-UHFFFAOYSA-N	-1	0	428.340	-1.255	50	30		IAEARM
Cn1c2nc(N=Nc3c([O-])[nH]c(=O)[nH]c3=O)n(C[C@H](O)c3ccccc3)c2c(=O)[nH]c1=O	ZINC000009292860	569520092	/nfs/dbraw/zinc/52/00/92/569520092.db2.gz	HFLMOVAHYVRTBU-VIFPVBQESA-N	-1	0	440.376	-1.709	50	30		IAEARM
Cn1c2nc(N=Nc3c([O-])[nH]c(=O)[nH]c3=O)n(C[C@@H](O)c3ccccc3)c2c(=O)[nH]c1=O	ZINC000009292861	569520059	/nfs/dbraw/zinc/52/00/59/569520059.db2.gz	HFLMOVAHYVRTBU-SECBINFHSA-N	-1	0	440.376	-1.709	50	30		IAEARM
C=CCOC[C@@H](O)Cn1c(N=Nc2c([O-])[nH]c(=O)[nH]c2=O)nc2c1c(=O)[nH]c(=O)n2C	ZINC000009849218	569571322	/nfs/dbraw/zinc/57/13/22/569571322.db2.gz	KYPYWAQFNSZARH-ZETCQYMHSA-N	-1	0	434.369	-2.879	50	30		IAEARM
C=CCOC[C@H](O)Cn1c(N=Nc2c([O-])[nH]c(=O)[nH]c2=O)nc2c1c(=O)[nH]c(=O)n2C	ZINC000009849219	569571334	/nfs/dbraw/zinc/57/13/34/569571334.db2.gz	KYPYWAQFNSZARH-SSDOTTSWSA-N	-1	0	434.369	-2.879	50	30		IAEARM
N#Cc1cn(CCCN2CC[NH+](CCCn3cc(C#N)c(=O)[n-]c3=O)CC2)c(=O)[n-]c1=O	ZINC000019370591	569318973	/nfs/dbraw/zinc/31/89/73/569318973.db2.gz	KZMACHSVSZJBQQ-UHFFFAOYSA-N	-1	0	440.464	-1.772	50	30		IAEARM
C[C@@H]1c2cccc(O)c2C([O-])=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@H]([NH+](C)C)[C@@H]3[C@H](O)[C@@H]21	ZINC000253388142	568920030	/nfs/dbraw/zinc/92/00/30/568920030.db2.gz	ZOSHTZVEWUAHLQ-FRGJHHOQSA-N	-1	0	444.440	-1.131	50	30		IAEARM
C[C@@H]1c2cccc(O)c2C([O-])=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@H]([NH+](C)C)[C@@H]3[C@@H](O)[C@H]21	ZINC000253388143	568920058	/nfs/dbraw/zinc/92/00/58/568920058.db2.gz	ZOSHTZVEWUAHLQ-FTMUNVGNSA-N	-1	0	444.440	-1.131	50	30		IAEARM
C[C@@H]1c2cccc(O)c2C([O-])=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@H]([NH+](C)C)[C@@H]3[C@H](O)[C@H]21	ZINC000253388144	568920005	/nfs/dbraw/zinc/92/00/05/568920005.db2.gz	ZOSHTZVEWUAHLQ-HXXZSOQJSA-N	-1	0	444.440	-1.131	50	30		IAEARM
C[C@@H]1c2cccc(O)c2C([O-])=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@H]([NH+](C)C)[C@@H]3[C@@H](O)[C@@H]21	ZINC000253388145	568920045	/nfs/dbraw/zinc/92/00/45/568920045.db2.gz	ZOSHTZVEWUAHLQ-ZKJJHSJMSA-N	-1	0	444.440	-1.131	50	30		IAEARM