smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H](O)[C@H](NC(=O)[C@H](CCC(=O)[O-])NC(=O)CNC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)CN)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000218624283	571603833	/nfs/dbraw/zinc/60/38/33/571603833.db2.gz	AQAWTXOVNAPLIC-FACIQBDNSA-N	-1	1	615.645	-5.110	10	30		KAEEMM
C=CCN1CC[C@@]23c4c5c(O[C@@H]6O[C@@H](C(=O)[O-])[C@H](O)[C@@H](O)[C@@H]6O)ccc4C[C@@H]1[C@]2(O)CCC(=O)[C@@H]3O5	ZINC000263621862	572132616	/nfs/dbraw/zinc/13/26/16/572132616.db2.gz	DSRNCSJRHACUJL-IJWCBNMRSA-N	-1	1	503.504	-1.133	10	30	in-vitro	KAEEMM
C=CCN1CC[C@@]23c4c5c(O[C@H]6O[C@@H](C(=O)[O-])[C@H](O)[C@@H](O)[C@@H]6O)ccc4C[C@@H]1[C@]2(O)CCC(=O)[C@@H]3O5	ZINC000263621863	572132577	/nfs/dbraw/zinc/13/25/77/572132577.db2.gz	DSRNCSJRHACUJL-MOIRTXDVSA-N	-1	1	503.504	-1.133	10	30	in-vitro	KAEEMM
NCC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCC(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)[O-]	ZINC000301320001	572143157	/nfs/dbraw/zinc/14/31/57/572143157.db2.gz	FSXSKCSRMRIVFV-BJDJZHNGSA-N	-1	1	593.620	-6.255	10	30		KAEEMM