smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)CNC(=O)[C@@H](CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NC(=O)CC[C@@H]([NH3+])C(=O)OC	ZINC000026747141	561819015	/nfs/dbraw/zinc/81/90/15/561819015.db2.gz	KARMCEYUCCGUFP-VXGBXAGGSA-N	1	1	501.474	-0.350	1	5		KBBFMO
COC(=O)CNC(=O)[C@H](CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NC(=O)CC[C@@H]([NH3+])C(=O)OC	ZINC000026747146	561818990	/nfs/dbraw/zinc/81/89/90/561818990.db2.gz	KARMCEYUCCGUFP-NEPJUHHUSA-N	1	1	501.474	-0.350	1	5		KBBFMO
COC(=O)CNC(=O)[C@@H](CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NC(=O)CC[C@H]([NH3+])C(=O)OC	ZINC000026747151	561819057	/nfs/dbraw/zinc/81/90/57/561819057.db2.gz	KARMCEYUCCGUFP-NWDGAFQWSA-N	1	1	501.474	-0.350	1	5		KBBFMO
COC(=O)CNC(=O)[C@H](CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NC(=O)CC[C@H]([NH3+])C(=O)OC	ZINC000026747156	561819018	/nfs/dbraw/zinc/81/90/18/561819018.db2.gz	KARMCEYUCCGUFP-RYUDHWBXSA-N	1	1	501.474	-0.350	1	5		KBBFMO
CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000049833180	562687578	/nfs/dbraw/zinc/68/75/78/562687578.db2.gz	KCIDBIZAMUCOIJ-FKWFRFQNSA-N	1	1	730.787	-0.465	1	5		KBBFMO
CC(C)[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)NCc1ccccc1)[C@@H](C)O)C(=O)N[C@H](C(N)=O)[C@@H](C)O	ZINC000096902522	562797425	/nfs/dbraw/zinc/79/74/25/562797425.db2.gz	QQSPTMZDIPWHTF-VECHTSBRSA-N	1	1	714.821	-0.904	1	5		KBBFMO
CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(N)=O	ZINC000169348387	562862180	/nfs/dbraw/zinc/86/21/80/562862180.db2.gz	OTCZKXIVTRWIJL-NFGXINMFSA-N	1	1	691.750	-0.947	1	5		KBBFMO
CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(N)=O	ZINC000169349540	562862638	/nfs/dbraw/zinc/86/26/38/562862638.db2.gz	RLQIWZIEXNXVAG-YAOOYPAMSA-N	1	1	726.195	-0.293	1	5		KBBFMO
CCNC(=O)[C@H]1O[C@@H](n2cnc3c2nc(NCC[NH+]2CCN(c4ccc([N+](=O)[O-])cc4)CC2)nc3N)[C@H](O)[C@@H]1O	ZINC000299861635	562893365	/nfs/dbraw/zinc/89/33/65/562893365.db2.gz	LSZORRNSFRRABA-QPXQOZNCSA-N	1	1	556.584	-0.694	1	5		KBBFMO