smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000026376986	553818274	/nfs/dbraw/zinc/81/82/74/553818274.db2.gz	LUCUFURZWPZEOH-HJOGWXRNSA-N	1	0	548.648	-0.034	50	30		KBEARO
COC(=O)[C@H](NC(=O)CNC(=O)[C@H](CCCNC(=[NH2+])NS(=O)(=O)c1ccc(C)cc1)NC(=O)OCc1ccccc1)[C@@H](C)O	ZINC000136143615	571449134	/nfs/dbraw/zinc/44/91/34/571449134.db2.gz	KNTSKNRYYBPHED-WNOPAQSVSA-N	1	0	634.712	-0.182	50	30		KBEARO
COC(=O)[C@H](NC(=O)CNC(=O)[C@@H](CCCNC(=[NH2+])NS(=O)(=O)c1ccc(C)cc1)NC(=O)OCc1ccccc1)[C@@H](C)O	ZINC000136143658	571449181	/nfs/dbraw/zinc/44/91/81/571449181.db2.gz	KNTSKNRYYBPHED-ZFJSRUIDSA-N	1	0	634.712	-0.182	50	30		KBEARO
NC(=[NH2+])NCCC[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccccc1N)C(=O)NCC(=O)NCc1ccc([N+](=O)[O-])cc1	ZINC000137681228	571450488	/nfs/dbraw/zinc/45/04/88/571450488.db2.gz	ZLQLGLFGTQNAAJ-FGZHOGPDSA-N	1	0	581.634	-0.247	50	30		KBEARO
NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1N)C(=O)NCC(=O)NCc1ccc([N+](=O)[O-])cc1	ZINC000137681331	571450494	/nfs/dbraw/zinc/45/04/94/571450494.db2.gz	ZLQLGLFGTQNAAJ-YADHBBJMSA-N	1	0	581.634	-0.247	50	30		KBEARO
CC(C)[C@H]1NC(=O)[C@H](Cc2ccccc2)N=C2C=C(CCNC(=O)[C@H](C)NC1=O)[NH+]=C(NCCCO)N2	ZINC000952857018	1066216794	/nfs/dbraw/zinc/21/67/94/1066216794.db2.gz	QCIUHOLKIHLSOI-RBDMOPTHSA-N	1	0	511.627	-0.023	50	30		KBEARO