smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+]C[C@@H]1O[C@@H](n2cc(I)c(=O)[n-]c2=O)C[C@@H]1O	ZINC000004523419	207025060	/nfs/dbraw/zinc/02/50/60/207025060.db2.gz	UNJJHOQIVSZFDN-LYFYHCNISA-N	0	3	353.116	-1.252	1	0		FAAFHN
[NH3+]C[C@H]1O[C@@H](n2cc(I)c(=O)[n-]c2=O)[C@@H](O)[C@@H]1O	ZINC000033504457	208093774	/nfs/dbraw/zinc/09/37/74/208093774.db2.gz	FMHHQKILSQAPJZ-MNCSTQPFSA-N	0	3	369.115	-2.281	1	0		FAAFHN
COc1ncnc2c1c(C(=N)NO)cn2[C@H]1O[C@H](CO)[C@@H](O)[C@@]1(C)O	ZINC000049032573	205166815	/nfs/dbraw/zinc/16/68/15/205166815.db2.gz	CCUMLAAZWYGZIM-FFXZEABUSA-N	0	3	353.335	-1.254	1	0		FAAFHN
CCOC(=O)CN1C(=O)CC[C@H](NC(=O)[C@@H](N)Cc2cnc[nH]2)C1=O	ZINC000049088226	205169481	/nfs/dbraw/zinc/16/94/81/205169481.db2.gz	GRXYUGGSZNLVFT-QWRGUYRKSA-N	0	3	351.363	-1.524	1	0		FAAFHN
CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000085589296	571784735	/nfs/dbraw/zinc/78/47/35/571784735.db2.gz	JXUGDUWBMKIJDC-MMWGEVLESA-N	0	3	358.443	-1.303	1	0	endogenous,in-man	FAAFHN
N=C1N[C@@H](CO)[C@H]2NC(=[NH2+])N[C@]23N1C[C@H](OS(=O)(=O)[O-])C3(O)O	ZINC000090697506	291020573	/nfs/dbraw/zinc/02/05/73/291020573.db2.gz	AJLCXXKDNUGKKH-UOPPWDSKSA-N	0	3	352.329	-4.947	1	0	endogenous,in-man	FAAFHN
N=C1N[C@@H](CO)[C@H]2NC(=[NH2+])N[C@]23N1C[C@@H](OS(=O)(=O)[O-])C3(O)O	ZINC000090697507	291020639	/nfs/dbraw/zinc/02/06/39/291020639.db2.gz	AJLCXXKDNUGKKH-MZEQXDKDSA-N	0	3	352.329	-4.947	1	0	endogenous,in-man	FAAFHN
CCCCCCn1cc(CCCN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1	ZINC000101345256	209223757	/nfs/dbraw/zinc/22/37/57/209223757.db2.gz	SPFGFLKJRLUZKI-ZDVFKUJDSA-N	0	3	372.466	-1.433	1	0		FAAFHN
Cc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)[C@@H]3C[C@H](F)CN3)O2)c(=O)[nH]c1=O	ZINC000061922256	221136473	/nfs/dbraw/zinc/13/64/73/221136473.db2.gz	IMCVRLYDPVIEGS-KKJSVHSVSA-N	0	3	356.354	-1.690	3	0		FAAFHN
CN[C@H](C)C(=O)NC[C@H]1O[C@@H](n2cnc3c2ncnc3N)[C@H](O)[C@@H]1O	ZINC000061945076	205289121	/nfs/dbraw/zinc/28/91/21/205289121.db2.gz	HBALRGYHYUKLSE-UQAWHXBNSA-N	0	3	351.367	-2.248	3	0		FAAFHN