smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c(C(=O)[O-])oc2c1C(=NNc1ccccc1)CCC2	ZINC000100925985	370285322	/nfs/dbraw/zinc/28/53/22/370285322.db2.gz	ZMYQNYAGZDYXTD-PDGQHHTCSA-N	-1	2	284.315	3.439	50	30		CGEALM
CCCCCCC/C=C/C[C@@H](CC(=O)[O-])C(=O)O	ZINC000097944236	528117725	/nfs/dbraw/zinc/11/77/25/528117725.db2.gz	BXGOWSXUTVDGFD-BCPZQOPPSA-N	-1	2	256.342	3.469	50	30		CGEALM
NC(=O)[C@@H]1CCC[C@@H](/[NH+]=C/c2c(O)ccc3ccccc32)C1	ZINC000130119060	371012060	/nfs/dbraw/zinc/01/20/60/371012060.db2.gz	DZIYUTZKBHACON-WKKYRENDSA-N	-1	2	296.370	3.008	50	30		CGEALM
NC(=O)[C@@H]1CCC[C@H](/[NH+]=C/c2c(O)ccc3ccccc32)C1	ZINC000130119270	371011328	/nfs/dbraw/zinc/01/13/28/371011328.db2.gz	DZIYUTZKBHACON-NRGQBJHJSA-N	-1	2	296.370	3.008	50	30		CGEALM
CCCCCCC/C=C/C[C@H](CC(=O)[O-])C(=O)O	ZINC000097944237	528116488	/nfs/dbraw/zinc/11/64/88/528116488.db2.gz	BXGOWSXUTVDGFD-IDVQTMNDSA-N	-1	2	256.342	3.469	50	30		CGEALM
O=C1c2ccccc2C(=O)C1=C([O-])C=Cc1ccccc1	ZINC000100934706	370285489	/nfs/dbraw/zinc/28/54/89/370285489.db2.gz	NIYQLQOHKYNRGF-KHPPLWFESA-N	-1	2	276.291	3.435	50	30		CGEALM
O=C(C=Cc1ccccc1)C1=C([O-])c2ccccc2C1=O	ZINC000100934706	370285492	/nfs/dbraw/zinc/28/54/92/370285492.db2.gz	NIYQLQOHKYNRGF-KHPPLWFESA-N	-1	2	276.291	3.435	50	30		CGEALM