smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])Cc1ccccc1	ZINC000026506428	563032958	/nfs/dbraw/zinc/03/29/58/563032958.db2.gz	UUBVSLURMRYJEN-ACRUOGEOSA-N	2	2	448.527	0.220	1	0		ICAFLP
NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])Cc1ccccc1	ZINC000026506428	563032957	/nfs/dbraw/zinc/03/29/57/563032957.db2.gz	UUBVSLURMRYJEN-ACRUOGEOSA-N	2	2	448.527	0.220	1	0		ICAFLP
[NH3+][C@@H](CCC(=O)Nc1cccc2ccccc21)C(=O)N1CC[NH2+]CCNCC[NH2+]CC1	ZINC000029130231	563075464	/nfs/dbraw/zinc/07/54/64/563075464.db2.gz	HXWYTBPGZRNVLO-FQEVSTJZSA-N	3	2	426.565	0.497	1	0		ICAFLP
[NH3+][C@H](CCC(=O)Nc1cccc2ccccc21)C(=O)N1CC[NH2+]CCNCC[NH2+]CC1	ZINC000029130233	563075488	/nfs/dbraw/zinc/07/54/88/563075488.db2.gz	HXWYTBPGZRNVLO-HXUWFJFHSA-N	3	2	426.565	0.497	1	0		ICAFLP
CC(C)OC(=O)[C@@H]([NH3+])CCSC[C@H]1O[C@@H](n2ccc3c2nc[nH+]c3N)[C@H](O)[C@@H]1O	ZINC000032138268	563084103	/nfs/dbraw/zinc/08/41/03/563084103.db2.gz	CUISBYJUBBRLGB-BAHXQUAYSA-N	2	2	425.511	0.035	1	0		ICAFLP
CC(C)OC(=O)[C@H]([NH3+])CCSC[C@H]1O[C@@H](n2ccc3c2nc[nH+]c3N)[C@H](O)[C@@H]1O	ZINC000032138269	563084140	/nfs/dbraw/zinc/08/41/40/563084140.db2.gz	CUISBYJUBBRLGB-CVXDVXMKSA-N	2	2	425.511	0.035	1	0		ICAFLP
CCCCOC(=O)[C@@H]([NH3+])CCSC[C@H]1O[C@@H](n2ccc3c2nc[nH+]c3N)[C@H](O)[C@@H]1O	ZINC000032138270	563084086	/nfs/dbraw/zinc/08/40/86/563084086.db2.gz	JCFQTIAYCAHJJR-BHDXSGHGSA-N	2	2	439.538	0.427	1	0		ICAFLP
CCCCOC(=O)[C@H]([NH3+])CCSC[C@H]1O[C@@H](n2ccc3c2nc[nH+]c3N)[C@H](O)[C@@H]1O	ZINC000032138271	563084101	/nfs/dbraw/zinc/08/41/01/563084101.db2.gz	JCFQTIAYCAHJJR-VFCJXBEMSA-N	2	2	439.538	0.427	1	0		ICAFLP
CC(C)c1[nH]c(C[C@H]([NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc2ccccc2)c[nH+]1	ZINC000045285623	563128205	/nfs/dbraw/zinc/12/82/05/563128205.db2.gz	LTDIWSJZMYDNEE-ROUUACIJSA-N	3	2	442.568	0.467	1	0		ICAFLP