smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+]CC[C@@H]([NH3+])C(=O)NCCC(=O)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CCNC(=O)[C@H]([NH3+])CC[NH3+])cc1C2=O	ZINC000103298905	562824842	/nfs/dbraw/zinc/82/48/42/562824842.db2.gz	NMRGSAJDCOLXSU-FGZHOGPDSA-N	4	2	580.646	-1.296	1	10		KACFLP
[NH3+]CC[C@@H]([NH3+])C(=O)NCCC(=O)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CCNC(=O)[C@@H]([NH3+])CC[NH3+])cc1C2=O	ZINC000103298907	562824866	/nfs/dbraw/zinc/82/48/66/562824866.db2.gz	NMRGSAJDCOLXSU-SZPZYZBQSA-N	4	2	580.646	-1.296	1	10		KACFLP
[NH3+]CC[C@H]([NH3+])C(=O)NCCC(=O)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CCNC(=O)[C@@H]([NH3+])CC[NH3+])cc1C2=O	ZINC000103298909	562824852	/nfs/dbraw/zinc/82/48/52/562824852.db2.gz	NMRGSAJDCOLXSU-VXKWHMMOSA-N	4	2	580.646	-1.296	1	10		KACFLP
NC1(C(=O)NCC(=O)Nc2ccc3c(c2)C(=O)c2ccc(NC(=O)CNC(=O)C4([NH3+])CC[NH2+]CC4)cc2C3=O)CC[NH2+]CC1	ZINC000653722016	562908791	/nfs/dbraw/zinc/90/87/91/562908791.db2.gz	JAJSCFMYKPTAJL-UHFFFAOYSA-N	3	2	604.668	-1.267	1	10		KACFLP
[NH3+]CC[C@@H]([NH3+])C(=O)NCC(=O)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CNC(=O)[C@@H]([NH3+])CC[NH3+])cc1C2=O	ZINC000653726136	562909127	/nfs/dbraw/zinc/90/91/27/562909127.db2.gz	JNIXHIGITWMSMP-BGYRXZFFSA-N	4	2	552.592	-2.076	1	10		KACFLP
N[C@@H](CC[NH3+])C(=O)NCC(=O)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CNC(=O)[C@@H]([NH3+])CC[NH3+])cc1C2=O	ZINC000653726137	562909124	/nfs/dbraw/zinc/90/91/24/562909124.db2.gz	JNIXHIGITWMSMP-PMACEKPBSA-N	3	2	552.592	-2.076	1	10		KACFLP
[NH3+]CC[C@H]([NH3+])C(=O)NCC(=O)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CNC(=O)[C@@H]([NH3+])CC[NH3+])cc1C2=O	ZINC000653726137	562909123	/nfs/dbraw/zinc/90/91/23/562909123.db2.gz	JNIXHIGITWMSMP-PMACEKPBSA-N	4	2	552.592	-2.076	1	10		KACFLP
N[C@H](CC[NH3+])C(=O)NCC(=O)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CNC(=O)[C@H]([NH3+])CC[NH3+])cc1C2=O	ZINC000653726138	562909116	/nfs/dbraw/zinc/90/91/16/562909116.db2.gz	JNIXHIGITWMSMP-WOJBJXKFSA-N	3	2	552.592	-2.076	1	10		KACFLP
[NH3+]CC[C@@H]([NH3+])C(=O)NCC(=O)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CNC(=O)[C@H]([NH3+])CC[NH3+])cc1C2=O	ZINC000653726138	562909115	/nfs/dbraw/zinc/90/91/15/562909115.db2.gz	JNIXHIGITWMSMP-WOJBJXKFSA-N	4	2	552.592	-2.076	1	10		KACFLP
C[C@H](NC(=O)[C@H]([NH3+])CC[NH3+])C(=O)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CC[NH3+])cc1C2=O	ZINC000653737352	562909723	/nfs/dbraw/zinc/90/97/23/562909723.db2.gz	AUFUDWKKZMKIJV-GKHNXXNSSA-N	4	2	580.646	-1.299	1	10		KACFLP
C[C@H](NC(=O)[C@H](N)CC[NH3+])C(=O)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)[C@H](C)NC(=O)[C@H]([NH3+])CC[NH3+])cc1C2=O	ZINC000653737353	562909739	/nfs/dbraw/zinc/90/97/39/562909739.db2.gz	AUFUDWKKZMKIJV-HCIHMXRSSA-N	3	2	580.646	-1.299	1	10		KACFLP
C[C@H](NC(=O)[C@H]([NH3+])CC[NH3+])C(=O)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)[C@H](C)NC(=O)[C@H]([NH3+])CC[NH3+])cc1C2=O	ZINC000653737353	562909738	/nfs/dbraw/zinc/90/97/38/562909738.db2.gz	AUFUDWKKZMKIJV-HCIHMXRSSA-N	4	2	580.646	-1.299	1	10		KACFLP
C[C@H](NC(=O)[C@@H](N)CC[NH3+])C(=O)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CC[NH3+])cc1C2=O	ZINC000653737354	562909726	/nfs/dbraw/zinc/90/97/26/562909726.db2.gz	AUFUDWKKZMKIJV-WJWAULOUSA-N	3	2	580.646	-1.299	1	10		KACFLP
C[C@H](NC(=O)[C@@H]([NH3+])CC[NH3+])C(=O)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CC[NH3+])cc1C2=O	ZINC000653737354	562909725	/nfs/dbraw/zinc/90/97/25/562909725.db2.gz	AUFUDWKKZMKIJV-WJWAULOUSA-N	4	2	580.646	-1.299	1	10		KACFLP