smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)C=c1sc(=Cc2cc(Br)c([O-])c(OCC)c2)c(=O)n1CC(=O)N(CC)CC	ZINC000514380770	1066265202	/nfs/dbraw/zinc/26/52/02/1066265202.db2.gz	PTGKIIULELUVCB-UHFFFAOYSA-N	-1	3	527.437	1.817	20	0		KDADHM
Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1	ZINC000514385563	1066293377	/nfs/dbraw/zinc/29/33/77/1066293377.db2.gz	MLFVDAFIWIVYRU-UHFFFAOYSA-N	-1	3	510.516	1.122	20	0		KDADHM
COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCN(C(=O)CN4CCOCC4)CC3)ccc2C)cc1	ZINC000514392739	1066330849	/nfs/dbraw/zinc/33/08/49/1066330849.db2.gz	AFUXXPJVFPZTBE-UHFFFAOYSA-N	-1	3	516.620	1.421	20	0		KDADHM
COc1ccc(S(=O)(=O)N2CCOCC2)cc1[N-]C(=O)c1sccc1S(=O)(=O)N1CCCC1	ZINC000514394195	1066332623	/nfs/dbraw/zinc/33/26/23/1066332623.db2.gz	IORXQWBXBGWGIO-UHFFFAOYSA-N	-1	3	515.635	1.814	20	0		KDADHM
CCOc1ccc(NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)cc1S(=O)(=O)N(CC)CC	ZINC000514394488	1066338010	/nfs/dbraw/zinc/33/80/10/1066338010.db2.gz	VXQUYZDGVFXZCB-UHFFFAOYSA-N	-1	3	503.375	1.779	20	0		KDADHM
CSCC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)N1CCN(CC(=O)NC2CC2)CC1	ZINC000514401186	1066318238	/nfs/dbraw/zinc/31/82/38/1066318238.db2.gz	OSHUHOWPEFHMKV-KRWDZBQOSA-N	-1	3	523.508	1.816	20	0		KDADHM
CSCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)N1CCN(CC(=O)NC2CC2)CC1	ZINC000514401187	1066317933	/nfs/dbraw/zinc/31/79/33/1066317933.db2.gz	OSHUHOWPEFHMKV-QGZVFWFLSA-N	-1	3	523.508	1.816	20	0		KDADHM
CCOc1ccc(NC(=O)C[N-]S(=O)(=O)c2c(C)noc2C)cc1S(=O)(=O)N1CCCCC1	ZINC000514402301	1066319953	/nfs/dbraw/zinc/31/99/53/1066319953.db2.gz	NWTGFMYYFKVJDQ-UHFFFAOYSA-N	-1	3	500.599	1.782	20	0		KDADHM
Cc1c(C(=O)Nc2ccc(C)cc2C)sc2[n-]c(CN3CCN(C(=O)C(=O)N4CCOCC4)CC3)nc(=O)c12	ZINC000514404712	1066341085	/nfs/dbraw/zinc/34/10/85/1066341085.db2.gz	JVVLDEWCCCPUCR-UHFFFAOYSA-N	-1	3	552.657	1.665	20	0		KDADHM
Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N1CCN(Cc2cn3cc(Cl)ccc3n2)CC1	ZINC000620791839	1066352201	/nfs/dbraw/zinc/35/22/01/1066352201.db2.gz	YLNOMZKGKOZYNV-UHFFFAOYSA-N	-1	3	500.003	1.905	20	0		KDADHM