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](SC2=C([O-])c3ccccc3C(=O)C2=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000070665633	553596641	/nfs/dbraw/zinc/59/66/41/553596641.db2.gz	NJJWZRQSHUHLLX-XVKUDFEISA-N	-1	2	536.511	1.652	50	30	biogenic	KDEALM
CC(=O)OC[C@H]1O[C@@H](SC2=C([O-])C(=O)c3ccccc3C2=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000070665633	553596640	/nfs/dbraw/zinc/59/66/40/553596640.db2.gz	NJJWZRQSHUHLLX-XVKUDFEISA-N	-1	2	536.511	1.652	50	30	biogenic	KDEALM
O=C1C=CC(NNc2ccc(C=Cc3ccc(N[NH2+]C4=CC(=O)C(=O)C=C4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)=CC1=O	ZINC000136709887	571449754	/nfs/dbraw/zinc/44/97/54/571449754.db2.gz	NORWGZMAZLRSLJ-OWOJBTEDSA-N	-1	2	612.598	1.367	50	30		KDEALM
COC(=O)C[C@@H](c1ccc2c(c1)n(C)c(=O)n2C)C1=C([O-])C(=O)C([C@H](CC(=O)OC)c2ccc3c(c2)n(C)c(=O)n3C)C(=O)C1=O	ZINC000218014071	1066356741	/nfs/dbraw/zinc/35/67/41/1066356741.db2.gz	PNGOEJFLDUYXOO-HDICACEKSA-N	-1	2	632.626	1.837	50	30		KDEALM
COC(=O)C[C@H](c1ccc2c(c1)n(C)c(=O)n2C)C1=C([O-])C(=O)C([C@@H](CC(=O)OC)c2ccc3c(c2)n(C)c(=O)n3C)C(=O)C1=O	ZINC000218014071	1066356728	/nfs/dbraw/zinc/35/67/28/1066356728.db2.gz	PNGOEJFLDUYXOO-HDICACEKSA-N	-1	2	632.626	1.837	50	30		KDEALM
COC(=O)C[C@H](c1ccc(OC)c(OCC(N)=O)c1)C1=C([O-])C(=O)C([C@@H](CC(=O)OC)c2ccc(OC)c(OCC(N)=O)c2)C(=O)C1=O	ZINC000218098445	1066356511	/nfs/dbraw/zinc/35/65/11/1066356511.db2.gz	HIRPRSDQVKUHCS-HDICACEKSA-N	-1	2	670.624	1.202	50	30		KDEALM
COC(=O)C[C@@H](c1ccc(OC)c(OCC(N)=O)c1)C1=C([O-])C(=O)C([C@H](CC(=O)OC)c2ccc(OC)c(OCC(N)=O)c2)C(=O)C1=O	ZINC000218098445	1066356496	/nfs/dbraw/zinc/35/64/96/1066356496.db2.gz	HIRPRSDQVKUHCS-HDICACEKSA-N	-1	2	670.624	1.202	50	30		KDEALM
COC(=O)C[C@@H](c1ccc(OCC(N)=O)cc1)C1=C([O-])C(=O)C([C@H](CC(=O)OC)c2ccc(OCC(N)=O)cc2)C(=O)C1=O	ZINC000218124726	571603757	/nfs/dbraw/zinc/60/37/57/571603757.db2.gz	SVWABXRPLGOPOQ-BGYRXZFFSA-N	-1	2	610.572	1.184	50	30		KDEALM
COC(=O)C[C@H](c1ccc(OCC(N)=O)cc1)C1=C([O-])C(=O)C([C@@H](CC(=O)OC)c2ccc(OCC(N)=O)cc2)C(=O)C1=O	ZINC000218124726	571603756	/nfs/dbraw/zinc/60/37/56/571603756.db2.gz	SVWABXRPLGOPOQ-BGYRXZFFSA-N	-1	2	610.572	1.184	50	30		KDEALM
COC(=O)C(=N[N-]c1ccc(C)cc1)S(=O)(=O)CS(=O)(=O)C(=NNc1ccc(C)cc1)C(=O)OC	ZINC000254716794	1066414933	/nfs/dbraw/zinc/41/49/33/1066414933.db2.gz	UJCQVTWYTYZMCI-UHFFFAOYSA-N	-1	2	524.577	1.588	50	30		KDEALM