smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1cc(C=NNc2[n-]c(=O)nnc2C)cc([N+](=O)[O-])c1[O-]	ZINC000036096826	436256137	/nfs/dbraw/zinc/25/61/37/436256137.db2.gz	PYWMYYFMCLCFBO-MKMNVTDBSA-N	-2	3	334.292	0.932	50	30		ECEAHL
O=c1[n-]c(=S)[nH]c([O-])c1N=Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000828941880	591169777	/nfs/dbraw/zinc/16/97/77/591169777.db2.gz	WFOIKHKJTZPPRA-UHFFFAOYSA-N	-2	3	327.709	0.547	50	30		ECEAHL
O=C1[N-]C(=S)NC(=O)C1=N[N-]c1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000003897650	435975830	/nfs/dbraw/zinc/97/58/30/435975830.db2.gz	CHSPZGXRMZCTKO-UHFFFAOYSA-N	-2	3	337.273	0.463	50	30		ECEAHL
Cc1ncc(COP(=O)([O-])[O-])c(/C=N/CCCC(=O)[O-])c1[O-]	ZINC000002114966	435965353	/nfs/dbraw/zinc/96/53/53/435965353.db2.gz	SIJAQASGWDIPNC-AWNIVKPZSA-N	-4	3	332.249	0.989	50	30		ECEAHL
CCOC([O-])=NC(=O)COC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000017223441	520971787	/nfs/dbraw/zinc/97/17/87/520971787.db2.gz	WGTUBWCVWZEDFB-UHFFFAOYSA-N	-2	3	349.343	0.612	50	30		ECEAHL
N#Cc1ccc(S(=O)(=O)[N-]CCc2nc(=O)o[n-]2)c(Cl)c1	ZINC000225390918	436709913	/nfs/dbraw/zinc/70/99/13/436709913.db2.gz	MNLWZTVCRNFAAD-UHFFFAOYSA-N	-2	3	328.737	0.409	50	30		ECEAHL