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](N)[C@H](O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(N)=O	ZINC000003940884	210094649	/nfs/dbraw/zinc/09/46/49/210094649.db2.gz	PDGQBIYMLALKTR-USZNOCQGSA-N	0	3	328.413	-1.298	1	0		EAAFHN
COC(=O)/C=C/C(=O)NC[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)[O-]	ZINC000006482077	560205740	/nfs/dbraw/zinc/20/57/40/560205740.db2.gz	SDVKJLYNAOLHBS-QEBMPYFUSA-N	0	3	344.368	-2.143	1	0	in-vitro	EAAFHN
COC(=O)/C=C/C(=O)NC[C@@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)[O-]	ZINC000006482124	560205755	/nfs/dbraw/zinc/20/57/55/560205755.db2.gz	SDVKJLYNAOLHBS-FQNVXPIYSA-N	0	3	344.368	-2.143	1	0	in-vitro	EAAFHN
N=C1N2CCC(O)(O)[C@]23NC(=[NH2+])N[C@H]3[C@@H](COC(=O)N[O-])N1O	ZINC000014691905	560100857	/nfs/dbraw/zinc/10/08/57/560100857.db2.gz	YBDAUZJLBCGWOB-MIBFAWTQSA-N	0	3	331.289	-3.311	1	0	endogenous,in-man	EAAFHN
CN(C)CCNC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCOCC2)C1	ZINC000020510939	212141165	/nfs/dbraw/zinc/14/11/65/212141165.db2.gz	DOOCWQPTSFUPQK-CYBMUJFWSA-N	0	3	348.469	-1.047	1	0		EAAFHN
CN(C)CCNC(=O)[C@H]1CCCN(S(=O)(=O)N2CCOCC2)C1	ZINC000020510941	202046458	/nfs/dbraw/zinc/04/64/58/202046458.db2.gz	DOOCWQPTSFUPQK-ZDUSSCGKSA-N	0	3	348.469	-1.047	1	0		EAAFHN
CC(C)C[C@@H](N)[C@@H](O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(N)=O	ZINC000026467735	202143634	/nfs/dbraw/zinc/14/36/34/202143634.db2.gz	PDGQBIYMLALKTR-WHOHXGKFSA-N	0	3	328.413	-1.298	1	0		EAAFHN
CC(C)C[C@H](N)[C@H](O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(N)=O	ZINC000026475667	202143715	/nfs/dbraw/zinc/14/37/15/202143715.db2.gz	PDGQBIYMLALKTR-BJDJZHNGSA-N	0	3	328.413	-1.298	1	0		EAAFHN
CCOC(=O)CNC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)CC(C)C	ZINC000026752192	202148192	/nfs/dbraw/zinc/14/81/92/202148192.db2.gz	GEXSGIPVYWYDQJ-QWRGUYRKSA-N	0	3	344.412	-1.340	1	0		EAAFHN
N=C1N2CCC(O)(O)[C@]23NC(=[NH2+])N[C@@H]3[C@@H](COC(=O)N[O-])N1O	ZINC000085847766	290946043	/nfs/dbraw/zinc/94/60/43/290946043.db2.gz	YBDAUZJLBCGWOB-FJNYAOGASA-N	0	3	331.289	-3.311	1	0	endogenous,in-man	EAAFHN
N=C1N2CCC(O)(O)[C@]23NC(=[NH2+])N[C@@H]3[C@H](COC(=O)N[O-])N1O	ZINC000206507623	560041561	/nfs/dbraw/zinc/04/15/61/560041561.db2.gz	YBDAUZJLBCGWOB-LBACSGLVSA-N	0	3	331.289	-3.521	1	0	endogenous,in-man	EAAFHN
N=C1N2CCC(O)(O)[C@@]23NC(=[NH2+])N[C@@H]3[C@H](COC(=O)N[O-])N1O	ZINC000206507655	560041553	/nfs/dbraw/zinc/04/15/53/560041553.db2.gz	YBDAUZJLBCGWOB-LYAQYDMKSA-N	0	3	331.289	-3.521	1	0	endogenous,in-man	EAAFHN
CN[C@H](C)C(=O)NC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O	ZINC000061922317	214686772	/nfs/dbraw/zinc/68/67/72/214686772.db2.gz	UHTAOJGLUWXZNJ-SANHVUMCSA-N	0	3	327.341	-2.831	3	0		EAAFHN