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(=C(/CC)c1ccc(O[C@@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@@H](O)[C@H]2O)cc1)c1ccc([O-])cc1	ZINC000077291504	569293285	/nfs/dbraw/zinc/29/32/85/569293285.db2.gz	LJMPVHCKUXKZAV-KUTZZYDQSA-N	-2	3	444.480	2.394	10	0	in-vitro	IEAEHL
N[C@H](CC(=O)c1cccc2c1Nc1c(cc(O)c3[nH]c(C(=O)[O-])cc(=O)c31)O2)C(=O)[O-]	ZINC000013480732	560217255	/nfs/dbraw/zinc/21/72/55/560217255.db2.gz	WSRZQBTZCCBWOL-MRVPVSSYSA-N	-2	3	425.353	2.178	10	0	in-vitro	IEAEHL
N[C@@H](CC(=O)c1cccc2c1Nc1c(cc(O)c3[nH]c(C(=O)[O-])cc(=O)c31)O2)C(=O)[O-]	ZINC000013480731	560217295	/nfs/dbraw/zinc/21/72/95/560217295.db2.gz	WSRZQBTZCCBWOL-QMMMGPOBSA-N	-2	3	425.353	2.178	10	0	in-vitro	IEAEHL
CC(C)[C@H](NS(=O)(=O)c1ccc2oc3cc([N-]S(C)(=O)=O)ccc3c2c1)C(=O)[O-]	ZINC000040403881	563101048	/nfs/dbraw/zinc/10/10/48/563101048.db2.gz	MFYWCBCSORYQGC-KRWDZBQOSA-N	-2	3	440.499	2.345	10	0		IEAEHL