smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCOc1ccc(CN[C@H](C)c2cccc(OC(C)C)c2)cc1	ZINC000097393628	219021815	/nfs/dbraw/zinc/02/18/15/219021815.db2.gz	ADWPHKYGGHBHCS-QGZVFWFLSA-N	0	3	325.452	4.889	20	30		EJEDHN
C=CCOc1ccc(CN[C@@H](C)c2cccc(OC(C)C)c2)cc1	ZINC000097393629	219021938	/nfs/dbraw/zinc/02/19/38/219021938.db2.gz	ADWPHKYGGHBHCS-KRWDZBQOSA-N	0	3	325.452	4.889	20	30		EJEDHN
C[C@@H](N[C@H](C)c1ccc(C#N)cc1)c1ccc(Br)s1	ZINC000038002690	213187207	/nfs/dbraw/zinc/18/72/07/213187207.db2.gz	RVKACHBLDDEUSP-GHMZBOCLSA-N	0	3	335.270	4.794	20	30		EJEDHN
C=CCNCc1ccc(OCc2c(F)cccc2Cl)c(OCC)c1	ZINC000040737387	518952678	/nfs/dbraw/zinc/95/26/78/518952678.db2.gz	SVLLUZDUXRKZGM-UHFFFAOYSA-N	0	3	349.833	4.732	20	30		EJEDHN
C[C@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc(Br)s1	ZINC000038002687	213187604	/nfs/dbraw/zinc/18/76/04/213187604.db2.gz	RVKACHBLDDEUSP-QWRGUYRKSA-N	0	3	335.270	4.794	20	30		EJEDHN
C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc(Br)s1	ZINC000038002689	213187091	/nfs/dbraw/zinc/18/70/91/213187091.db2.gz	RVKACHBLDDEUSP-WDEREUQCSA-N	0	3	335.270	4.794	20	30		EJEDHN
C[C@@H](N[C@@H](C)c1ccc(Br)s1)c1ccc(C#N)cc1	ZINC000038002688	202080810	/nfs/dbraw/zinc/08/08/10/202080810.db2.gz	RVKACHBLDDEUSP-MNOVXSKESA-N	0	3	335.270	4.794	20	30		EJEDHN