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)OC[C@@H]1O[C@H](n2ncc(=O)[nH]c2=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000001694304	210366035	/nfs/dbraw/zinc/36/60/35/210366035.db2.gz	QQOBRRFOVWGIMD-RYDUCSDGSA-N	0	2	371.302	-1.745	10	0		FAAELN
CC(=O)OC[C@H]1O[C@@H](n2ncc(=O)[nH]c2=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000008647989	204337770	/nfs/dbraw/zinc/33/77/70/204337770.db2.gz	QQOBRRFOVWGIMD-GWNIPJSYSA-N	0	2	371.302	-1.745	10	0		FAAELN
[NH3+][C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000039833657	483691428	/nfs/dbraw/zinc/69/14/28/483691428.db2.gz	HMRAQFJFTOLDKW-GUBZILKMSA-N	0	2	371.350	-2.809	10	0		FAAELN
[NH3+][C@@H](CO)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000039833657	483691426	/nfs/dbraw/zinc/69/14/26/483691426.db2.gz	HMRAQFJFTOLDKW-GUBZILKMSA-N	0	2	371.350	-2.809	10	0		FAAELN
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)nc1I	ZINC000198932255	482858066	/nfs/dbraw/zinc/85/80/66/482858066.db2.gz	AOKSWFDLRGHCEQ-VPENINKCSA-N	0	2	355.088	-1.823	10	0		FAAELN
CS(=O)(=O)N(CC(=O)[O-])C[C@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1	ZINC000262996520	657901783	/nfs/dbraw/zinc/90/17/83/657901783.db2.gz	WKOGEJZJPJJVRE-GFCCVEGCSA-N	0	2	374.419	-1.153	10	0		FAAELN
CS(=O)(=O)N(CC(=O)[O-])C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1	ZINC000262996534	657901708	/nfs/dbraw/zinc/90/17/08/657901708.db2.gz	WKOGEJZJPJJVRE-LBPRGKRZSA-N	0	2	374.419	-1.153	10	0		FAAELN