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[C@H](C(=O)N[O-])C(=O)N[C@@H](C)C(=O)NCC(N)=O	ZINC000005138288	181208687	/nfs/dbraw/zinc/20/86/87/181208687.db2.gz	FGSNBBSHVNLDMX-YUMQZZPRSA-N	-1	3	302.331	-1.740	1	30		DAEFHM
NC(=[NH2+])NCCC[C@@H](N)C(=O)NC(CCC(=O)[O-])C(=O)[O-]	ZINC000069486310	574415686	/nfs/dbraw/zinc/41/56/86/574415686.db2.gz	GNBVOLPLUHNVKE-ZCFIWIBFSA-N	-1	3	303.319	-1.367	1	30	endogenous,in-vitro	DAEFHM
O=c1[n-]c(=O)n([C@@H]2O[C@H](CO)[C@H]3O[C@H]32)cc1Br	ZINC000006524082	181349434	/nfs/dbraw/zinc/34/94/34/181349434.db2.gz	SKRTYOMHKSSCJF-UAKXSSHOSA-N	-1	3	305.084	-1.044	1	30		DAEFHM
NC(=[NH2+])NCCC[C@H](N)C(=O)NC(CCC(=O)[O-])C(=O)[O-]	ZINC000069486312	574415676	/nfs/dbraw/zinc/41/56/76/574415676.db2.gz	GNBVOLPLUHNVKE-LURJTMIESA-N	-1	3	303.319	-1.367	1	30	endogenous,in-vitro	DAEFHM
NC(=[NH2+])NCCCC(NC(=O)[C@H](N)CCC(=O)[O-])C(=O)[O-]	ZINC000100386527	574417636	/nfs/dbraw/zinc/41/76/36/574417636.db2.gz	ONZZJLVBPFNPPP-ZCFIWIBFSA-N	-1	3	303.319	-1.367	1	30	endogenous,in-vitro	DAEFHM
NC(=[NH2+])NCCCC(NC(=O)[C@@H](N)CCC(=O)[O-])C(=O)[O-]	ZINC000100386531	574417612	/nfs/dbraw/zinc/41/76/12/574417612.db2.gz	ONZZJLVBPFNPPP-LURJTMIESA-N	-1	3	303.319	-1.367	1	30	endogenous,in-vitro	DAEFHM
N#C[C@H]1[C@@H](O)[C@H](n2cc(F)c(=O)[n-]c2=O)O[C@H](CO)[C@H]1O	ZINC000073140347	191282214	/nfs/dbraw/zinc/28/22/14/191282214.db2.gz	HXGZLWNJBVRWHE-FUSRNSPPSA-N	-1	3	301.230	-2.573	1	30		DAEFHM
CC(C)C[C@@H](C(=O)N[O-])C(=O)N[C@@H](C)C(=O)NCC(N)=O	ZINC000005138312	181208828	/nfs/dbraw/zinc/20/88/28/181208828.db2.gz	FGSNBBSHVNLDMX-JGVFFNPUSA-N	-1	3	302.331	-1.740	1	30		DAEFHM