smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)[N-]C(=O)c1cn(CC(=O)NCC(=O)NCC(=O)N2CCN(CCn3c(C)nc(C(N)=O)c3N)CC2)c(=O)[nH]c1=O	ZINC000005545951	552504894	/nfs/dbraw/zinc/50/48/94/552504894.db2.gz	LCURSPYXRYAJBT-UHFFFAOYSA-N	-1	3	633.623	-4.314	40	0		KAABHM
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CSCC[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)CCNC(=O)[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(=O)[O-])C(C)C)C(N)=O	ZINC000095741280	553711828	/nfs/dbraw/zinc/71/18/28/553711828.db2.gz	CKNPSJOMUQBPLA-UQXWAGAWSA-N	-1	3	780.946	-2.106	40	0		KAABHM
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CNCC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCC(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000100098838	554219265	/nfs/dbraw/zinc/21/92/65/554219265.db2.gz	KYOPEKNSPWYXTK-AJNGGQMLSA-N	-1	3	601.618	-5.418	40	0		KAABHM
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COC(=O)[C@H](N)CCC(=O)N[C@@H](CCCC[N-]C(=O)C(F)(F)F)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)OC	ZINC000100156763	554233196	/nfs/dbraw/zinc/23/31/96/554233196.db2.gz	VVTYQIXPOXETSP-SYQHCUMBSA-N	-1	3	541.524	-1.217	40	0		KAABHM
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CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1c[nH]cn1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-]	ZINC000215035256	571582732	/nfs/dbraw/zinc/58/27/32/571582732.db2.gz	JTUOJQYVOWCIHW-KURKYZTESA-N	-1	3	528.530	-2.441	40	0		KAABHM
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