smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1cccc(CC)c1NC(=O)C(C#N)=c1sc(=Cc2cc(Br)c([O-])c(OC)c2)c(=O)n1CCN1CCOCC1	ZINC000514296677	1059122836	/nfs/dbraw/zinc/12/28/36/1059122836.db2.gz	KASHEAHUBJPJHL-UHFFFAOYSA-N	-1	3	641.588	2.985	20	30		KFEDHM
CCOCCCn1c(=O)c(=Cc2cc(Br)c([O-])c(OC)c2)sc1=C(C#N)c1nnc2n1CCCCC2	ZINC000514381459	1059287240	/nfs/dbraw/zinc/28/72/40/1059287240.db2.gz	FZZJEAIHRCMWER-UHFFFAOYSA-N	-1	3	574.501	2.682	20	30		KFEDHM
COc1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(C[C@@H]3CCCO3)c2=O)cc(Br)c1[O-]	ZINC000514381731	1059356707	/nfs/dbraw/zinc/35/67/07/1059356707.db2.gz	PSOUUHAPDFYDPJ-AWEZNQCLSA-N	-1	3	521.433	2.684	20	30		KFEDHM
COc1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(C[C@H]3CCCO3)c2=O)cc(Br)c1[O-]	ZINC000514381732	1059357247	/nfs/dbraw/zinc/35/72/47/1059357247.db2.gz	PSOUUHAPDFYDPJ-CQSZACIVSA-N	-1	3	521.433	2.684	20	30		KFEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC(C)C	ZINC000514383901	1059300201	/nfs/dbraw/zinc/30/02/01/1059300201.db2.gz	HKPCVXHPVLHPPX-UHFFFAOYSA-N	-1	3	502.593	2.655	20	30		KFEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1	ZINC000514384225	1059296824	/nfs/dbraw/zinc/29/68/24/1059296824.db2.gz	RFMXAQYRUCRUIL-UHFFFAOYSA-N	-1	3	527.647	2.858	20	30		KFEDHM