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)C[C@@H](c1cc2c(c(OC)c1)OCO2)c1oc(CN2CCOCC2)cc(=O)c1[O-]	ZINC000217783626	569453225	/nfs/dbraw/zinc/45/32/25/569453225.db2.gz	CCRSNTXXEVXXNR-HNNXBMFYSA-N	-1	3	447.440	1.610	50	70	biogenic	IDIAHM
CS(=O)(=O)[N-]c1cccc2c1ccn2CC(=O)N1CCN(CCc2ccccn2)CC1	ZINC000218286221	557187761	/nfs/dbraw/zinc/18/77/61/557187761.db2.gz	MBCWDNLIXXPHGE-UHFFFAOYSA-N	-1	3	441.557	1.795	50	70		IDIAHM
CC1(C)C[C@H](n2[n-]c(=O)c3c2NC(=O)CS[C@@H]3c2cccc(OCC(N)=O)c2)CCO1	ZINC000218129967	569456423	/nfs/dbraw/zinc/45/64/23/569456423.db2.gz	LOKQZUBXVBRMSH-FZKQIMNGSA-N	-1	3	446.529	1.945	50	70		IDIAHM
CC1(C)C[C@@H](n2[n-]c(=O)c3c2NC(=O)CS[C@@H]3c2cccc(OCC(N)=O)c2)CCO1	ZINC000218130142	569456435	/nfs/dbraw/zinc/45/64/35/569456435.db2.gz	LOKQZUBXVBRMSH-SCLBCKFNSA-N	-1	3	446.529	1.945	50	70		IDIAHM
COC(=O)C[C@H](c1cc2c(c(OC)c1)OCO2)c1oc(CN2CCOCC2)cc(=O)c1[O-]	ZINC000217783552	569453202	/nfs/dbraw/zinc/45/32/02/569453202.db2.gz	CCRSNTXXEVXXNR-OAHLLOKOSA-N	-1	3	447.440	1.610	50	70	biogenic	IDIAHM
CS(=O)(=O)[N-]c1cccc2c1ccn2CC(=O)N1CCN(CCc2ccncc2)CC1	ZINC000218228411	557183462	/nfs/dbraw/zinc/18/34/62/557183462.db2.gz	TXQOHBJWUNAZJK-UHFFFAOYSA-N	-1	3	441.557	1.795	50	70		IDIAHM
CC1(C)C[C@@H](n2[n-]c(=O)c3c2NC(=O)CS[C@H]3c2cccc(OCC(N)=O)c2)CCO1	ZINC000218130240	569456414	/nfs/dbraw/zinc/45/64/14/569456414.db2.gz	LOKQZUBXVBRMSH-UGSOOPFHSA-N	-1	3	446.529	1.945	50	70		IDIAHM
CC1(C)C[C@H](n2[n-]c(=O)c3c2NC(=O)CS[C@H]3c2cccc(OCC(N)=O)c2)CCO1	ZINC000218130062	569456442	/nfs/dbraw/zinc/45/64/42/569456442.db2.gz	LOKQZUBXVBRMSH-ACJLOTCBSA-N	-1	3	446.529	1.945	50	70		IDIAHM