smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COCCNC(=O)C(C#N)=c1sc(=Cc2cc(Br)c([O-])c(OC)c2)c(=O)n1C[C@@H]1CCCO1	ZINC000514297818	1066209474	/nfs/dbraw/zinc/20/94/74/1066209474.db2.gz	SOOXXIAWDGILRO-AWEZNQCLSA-N	-1	3	538.420	0.831	20	30		KCEDHM
COCCNC(=O)C(C#N)=c1sc(=Cc2cc(Br)c([O-])c(OC)c2)c(=O)n1C[C@H]1CCCO1	ZINC000514297825	1066209408	/nfs/dbraw/zinc/20/94/08/1066209408.db2.gz	SOOXXIAWDGILRO-CQSZACIVSA-N	-1	3	538.420	0.831	20	30		KCEDHM
COc1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCN3CCOCC3)c2=O)cc(Br)c1[O-]	ZINC000514381522	1066216074	/nfs/dbraw/zinc/21/60/74/1066216074.db2.gz	IAIAACCDQGASEJ-UHFFFAOYSA-N	-1	3	549.447	0.500	20	30		KCEDHM
COc1cc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C[C@@H]3CCCO3)c2=O)cc(Br)c1[O-]	ZINC000514381671	1066224290	/nfs/dbraw/zinc/22/42/90/1066224290.db2.gz	NMAIGYNORMFXNY-KRWDZBQOSA-N	-1	3	593.500	0.517	20	30		KCEDHM
COc1cc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C[C@H]3CCCO3)c2=O)cc(Br)c1[O-]	ZINC000514381672	1066224444	/nfs/dbraw/zinc/22/44/44/1066224444.db2.gz	NMAIGYNORMFXNY-QGZVFWFLSA-N	-1	3	593.500	0.517	20	30		KCEDHM
CCOCCCn1c(=O)c(=Cc2cc(Br)c([O-])c(OC)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1	ZINC000514381948	1066223729	/nfs/dbraw/zinc/22/37/29/1066223729.db2.gz	XWWKWEUIFIKVHO-UHFFFAOYSA-N	-1	3	595.516	0.765	20	30		KCEDHM
COc1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@@H]3CCCO3)c2=O)cc(Br)c1[O-]	ZINC000514381979	1066224201	/nfs/dbraw/zinc/22/42/01/1066224201.db2.gz	YHKVMLDUAGVXQV-HNNXBMFYSA-N	-1	3	550.431	0.927	20	30		KCEDHM
COc1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@H]3CCCO3)c2=O)cc(Br)c1[O-]	ZINC000514381984	1066224167	/nfs/dbraw/zinc/22/41/67/1066224167.db2.gz	YHKVMLDUAGVXQV-OAHLLOKOSA-N	-1	3	550.431	0.927	20	30		KCEDHM
COc1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCN3CCOCC3)c2=O)cc(Br)c1[O-]	ZINC000514402764	1066227663	/nfs/dbraw/zinc/22/76/63/1066227663.db2.gz	MVFTZTCPNPATFH-UHFFFAOYSA-N	-1	3	579.473	0.081	20	30		KCEDHM
CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cc(Br)c([O-])c(OC)c2)c(=O)n1CCN1CCOCC1	ZINC000514403224	1066226850	/nfs/dbraw/zinc/22/68/50/1066226850.db2.gz	XMFVVDFHERAVLJ-UHFFFAOYSA-N	-1	3	595.516	0.765	20	30		KCEDHM