smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)[C@H](NC(=O)c1ccccc1)C(=O)NCC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000004534233	552463863	/nfs/dbraw/zinc/46/38/63/552463863.db2.gz	GYEHHVCMWRKKMY-UNMCSNQZSA-N	1	0	554.608	0.852	50	5		KCBARO
CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)NCC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000004534234	552464191	/nfs/dbraw/zinc/46/41/91/552464191.db2.gz	GYEHHVCMWRKKMY-RBBKRZOGSA-N	1	0	554.608	0.852	50	5		KCBARO
NC(=[NH2+])NCCC[C@H](NC(=O)CNC(=O)CCNC(=O)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000025762403	571360703	/nfs/dbraw/zinc/36/07/03/571360703.db2.gz	MQJFSEVOOWZXND-IBGZPJMESA-N	1	0	526.554	0.218	50	5		KCBARO
Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1	ZINC000060292540	554505555	/nfs/dbraw/zinc/50/55/55/554505555.db2.gz	VYLJFJGMPYBPMN-VXKWHMMOSA-N	1	0	602.674	0.559	50	5		KCBARO