smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nc(CN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H](C)C(=O)[O-])cs1	ZINC000309581769	560770638	/nfs/dbraw/zinc/77/06/38/560770638.db2.gz	ZYAQOVHHRCFHEF-CQSZACIVSA-N	-1	0	422.506	4.676	20	0		HJADRM
Cc1sc([C@@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)nc1C(=O)[O-]	ZINC000725262498	559170465	/nfs/dbraw/zinc/17/04/65/559170465.db2.gz	MTBNMDUKEZVSNU-GFCCVEGCSA-N	-1	0	408.479	4.749	20	0		HJADRM
COc1ccccc1N(CC(=O)[O-])C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000087493265	559062029	/nfs/dbraw/zinc/06/20/29/559062029.db2.gz	DZAQWXXVVWZBPO-UHFFFAOYSA-N	-1	0	403.434	4.535	20	0		HJADRM
O=C([O-])C1CC2(C1)C[C@H](NC(=O)OCC1c3ccccc3-c3ccccc31)CCS2	ZINC000725262474	559170196	/nfs/dbraw/zinc/17/01/96/559170196.db2.gz	IPWKNTMCDXJZFX-DMISQSQKSA-N	-1	0	423.534	4.654	20	0		HJADRM
O=C([O-])C1CC2(C1)C[C@@H](NC(=O)OCC1c3ccccc3-c3ccccc31)CCS2	ZINC000725262478	559170508	/nfs/dbraw/zinc/17/05/08/559170508.db2.gz	IPWKNTMCDXJZFX-LYAYERMMSA-N	-1	0	423.534	4.654	20	0		HJADRM
O=C([O-])c1ccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)nc1C1CC1	ZINC000521394026	571316193	/nfs/dbraw/zinc/31/61/93/571316193.db2.gz	GLMWNDBIJIHRIC-UHFFFAOYSA-N	-1	0	414.461	4.696	20	0		HJADRM
Cc1sc([C@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)nc1C(=O)[O-]	ZINC000725262500	559170451	/nfs/dbraw/zinc/17/04/51/559170451.db2.gz	MTBNMDUKEZVSNU-LBPRGKRZSA-N	-1	0	408.479	4.749	20	0		HJADRM
Cc1nc(CN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](C)C(=O)[O-])cs1	ZINC000309581767	560770640	/nfs/dbraw/zinc/77/06/40/560770640.db2.gz	ZYAQOVHHRCFHEF-AWEZNQCLSA-N	-1	0	422.506	4.676	20	0		HJADRM
CO[C@@H](Cc1ccc(OCCCOc2ccc(Oc3ccccc3)cc2)cc1)C(=O)[O-]	ZINC000003950327	569255236	/nfs/dbraw/zinc/25/52/36/569255236.db2.gz	OKJHGOPITGTTIM-DEOSSOPVSA-N	-1	0	422.477	4.969	20	0	investigational	HJADRM
O=C([O-])c1cccn1C1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1	ZINC000070915601	558824742	/nfs/dbraw/zinc/82/47/42/558824742.db2.gz	DZECMUVJIAOVSP-UHFFFAOYSA-N	-1	0	416.477	4.772	20	0		HJADRM