smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(N2C(=O)NC(=O)C(=CN[C@H](Cc3c[nH]c4ccccc34)C(=O)[O-])C2=O)cc1	ZINC000020572186	524392027	/nfs/dbraw/zinc/39/20/27/524392027.db2.gz	UALCIRISIPAAGQ-XYSGSMRZSA-N	-1	2	448.435	1.929	50	10		IDCALM
COc1ccc(N2C(=O)NC(=O)C(=CN[C@@H](Cc3c[nH]c4ccccc34)C(=O)[O-])C2=O)cc1	ZINC000020572184	524393414	/nfs/dbraw/zinc/39/34/14/524393414.db2.gz	UALCIRISIPAAGQ-WPNIOXTASA-N	-1	2	448.435	1.929	50	10		IDCALM
COc1ccc(N2C(=O)NC(=O)C(=CN[C@@H](Cc3ccc(O)cc3)C(=O)[O-])C2=O)cc1	ZINC000020572203	524391605	/nfs/dbraw/zinc/39/16/05/524391605.db2.gz	BXEKVTURIPOCBA-NIFLVVHWSA-N	-1	2	425.397	1.153	50	10		IDCALM
COc1ccc(N2C(=O)NC(=O)C(=CN[C@H](Cc3ccc(O)cc3)C(=O)[O-])C2=O)cc1	ZINC000020572205	524392327	/nfs/dbraw/zinc/39/23/27/524392327.db2.gz	BXEKVTURIPOCBA-ZFOVBUMHSA-N	-1	2	425.397	1.153	50	10		IDCALM
COc1cccc(N2C(=O)NC(=O)C(=CN[C@H](Cc3ccc(O)cc3)C(=O)[O-])C2=O)c1	ZINC000020572199	526139709	/nfs/dbraw/zinc/13/97/09/526139709.db2.gz	RIRYJEUYCFJRRE-ZFOVBUMHSA-N	-1	2	425.397	1.153	50	10		IDCALM
O=C([O-])CNC(=O)c1ccc(NC=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1	ZINC000009061020	132301661	/nfs/dbraw/zinc/30/16/61/132301661.db2.gz	WTTQXSFMOZLRMP-DHDCSXOGSA-N	-1	2	442.815	1.733	50	10		IDCALM
COc1cccc(N2C(=O)NC(=O)C(=CN[C@H](Cc3c[nH]c4ccccc34)C(=O)[O-])C2=O)c1	ZINC000020567470	526140335	/nfs/dbraw/zinc/14/03/35/526140335.db2.gz	LINQDGCAGKLZGE-XYSGSMRZSA-N	-1	2	448.435	1.929	50	10		IDCALM
COc1cccc(N2C(=O)NC(=O)C(=CN[C@@H](Cc3ccc(O)cc3)C(=O)[O-])C2=O)c1	ZINC000020572197	526139938	/nfs/dbraw/zinc/13/99/38/526139938.db2.gz	RIRYJEUYCFJRRE-NIFLVVHWSA-N	-1	2	425.397	1.153	50	10		IDCALM
COc1cccc(N2C(=O)NC(=O)C(=CN[C@@H](Cc3c[nH]c4ccccc34)C(=O)[O-])C2=O)c1	ZINC000020567468	526140473	/nfs/dbraw/zinc/14/04/73/526140473.db2.gz	LINQDGCAGKLZGE-WPNIOXTASA-N	-1	2	448.435	1.929	50	10		IDCALM