smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])OC(=O)[C@@H](N)Cc2ccc(O)c(O)c2)[C@@H](O)[C@H]1O	ZINC000004099120	560196433	/nfs/dbraw/zinc/19/64/33/560196433.db2.gz	AFIFLOMGXNKHJX-YBGGAFRISA-N	-1	0	526.399	-1.331	10	10	in-vitro	KACERM
CCN1CCN(C(=O)N[C@@H](C(=O)N[C@]2(NC=O)C(=O)N3[C@@H]2SC(C)(C)[C@@H]3C(=O)[O-])c2ccc(O)c(O)c2)C(=O)C1=O	ZINC000004216325	561694382	/nfs/dbraw/zinc/69/43/82/561694382.db2.gz	BLHZPPIRNRDRSC-HSDAMQNGSA-N	-1	0	592.587	-1.755	10	10	in-man	KACERM
CC(=O)N1CCN2C[C@H]1C(=O)NC[C@H]1O[C@@H](CC(=O)N[C@H]3C[C@@H](C2=O)[N@H+](Cc2ccccc2O)C3)[C@H](O)[C@@H]1O	ZINC000097976439	553969833	/nfs/dbraw/zinc/96/98/33/553969833.db2.gz	WQABSHJLZMGJHZ-MCDFGDHCSA-N	-1	0	545.593	-2.480	10	10		KACERM