smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1(C)NC(=N)NC(=[NH2+])N1c1ccc(OCCCCC(=O)Nc2ccc(S(=O)(=O)F)cc2)c(Cl)c1	ZINC000043300483	562647467	/nfs/dbraw/zinc/64/74/67/562647467.db2.gz	ZTWMXVZMCIAAEV-UHFFFAOYSA-N	1	1	525.006	3.372	1	70		KGIFMO
COc1ccc2c(c1OS(=O)(=O)C(F)(F)F)C(=O)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CC[N@@H+]1C	ZINC000043562061	562649725	/nfs/dbraw/zinc/64/97/25/562649725.db2.gz	WJUCVILTNHIWKM-SJORKVTESA-N	1	1	531.461	3.102	1	70		KGIFMO
COc1ccc2c(c1OS(=O)(=O)C(F)(F)F)C(=O)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CC[N@H+]1C	ZINC000043562061	562649724	/nfs/dbraw/zinc/64/97/24/562649724.db2.gz	WJUCVILTNHIWKM-SJORKVTESA-N	1	1	531.461	3.102	1	70		KGIFMO
C[N@H+]1C[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]2Cc3c(cccc3OS(=O)(=O)C(F)(F)F)C[C@H]21	ZINC000044093715	562652308	/nfs/dbraw/zinc/65/23/08/562652308.db2.gz	ABHDMVMRRKFFON-DNVFCKCGSA-N	1	1	582.601	3.207	1	70		KGIFMO
CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2C[N@H+]1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1	ZINC000160947654	562849130	/nfs/dbraw/zinc/84/91/30/562849130.db2.gz	KWJAFFUEDWUZAR-HPMAGDRPSA-N	1	1	649.833	3.041	1	70		KGIFMO
CC(C)(C)NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2C[N@H+]1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1	ZINC000160947760	562849112	/nfs/dbraw/zinc/84/91/12/562849112.db2.gz	KWJAFFUEDWUZAR-KLLDHOPQSA-N	1	1	649.833	3.041	1	70		KGIFMO