smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COCCN1CCN(C(=O)C(=O)Nc2ccc(Br)nc2)C[C@H]1C	ZINC000160362611	530330367	/nfs/dbraw/zinc/33/03/67/530330367.db2.gz	ZZCYCKWXDJEGAI-LLVKDONJSA-N	0	0	385.262	0.962	10	70		GCIERN
O=C1NC[C@@H]2CN(Cc3nc4cc(Br)ccc4[nH]3)CCN2C1=O	ZINC000160275937	530306582	/nfs/dbraw/zinc/30/65/82/530306582.db2.gz	NYCTXULIYXBATQ-SNVBAGLBSA-N	0	0	378.230	0.468	10	70		GCIERN
Cn1cc(-c2ncc(C(=O)NC[C@H]3CCC[C@H]3NS(C)(=O)=O)s2)cn1	ZINC000160493956	531110920	/nfs/dbraw/zinc/11/09/20/531110920.db2.gz	YNMMTWVIUTYPAF-ZYHUDNBSSA-N	0	0	383.499	0.991	10	70		GCIERN
COCCN1CCN(C(=O)C(=O)Nc2ccc(Br)nc2)C[C@@H]1C	ZINC000160362781	530330404	/nfs/dbraw/zinc/33/04/04/530330404.db2.gz	ZZCYCKWXDJEGAI-NSHDSACASA-N	0	0	385.262	0.962	10	70		GCIERN
O=C(CCNS(=O)(=O)c1cccc(Br)c1)NC1(CO)CC1	ZINC000160494961	530324380	/nfs/dbraw/zinc/32/43/80/530324380.db2.gz	CBTXZYFDVRGCSZ-UHFFFAOYSA-N	0	0	377.260	0.759	10	70		GCIERN
Cn1cc(-c2ncc(C(=O)NC[C@@H]3CCC[C@H]3NS(C)(=O)=O)s2)cn1	ZINC000160493826	531110825	/nfs/dbraw/zinc/11/08/25/531110825.db2.gz	YNMMTWVIUTYPAF-CMPLNLGQSA-N	0	0	383.499	0.991	10	70		GCIERN
O=C(CCNS(=O)(=O)c1ccc(Br)cc1)NC1(CO)CC1	ZINC000160472416	530323664	/nfs/dbraw/zinc/32/36/64/530323664.db2.gz	VGPGFKVLVXRZQI-UHFFFAOYSA-N	0	0	377.260	0.759	10	70		GCIERN
O=C1NC[C@H]2CN(Cc3nc4cc(Br)ccc4[nH]3)CCN2C1=O	ZINC000160276097	530306454	/nfs/dbraw/zinc/30/64/54/530306454.db2.gz	NYCTXULIYXBATQ-JTQLQIEISA-N	0	0	378.230	0.468	10	70		GCIERN
CCNC(=O)C1CN(C(=O)c2cc(Cn3cc(Br)cn3)on2)C1	ZINC000161291990	530981991	/nfs/dbraw/zinc/98/19/91/530981991.db2.gz	ITENZBGTGUUTFK-UHFFFAOYSA-N	0	0	382.218	0.890	10	70		GCIERN
CN(CC(=O)NC1(CO)CC1)S(=O)(=O)c1ccc(Br)cc1	ZINC000160332656	530322570	/nfs/dbraw/zinc/32/25/70/530322570.db2.gz	BRZNCNLAXSUZFR-UHFFFAOYSA-N	0	0	377.260	0.711	10	70		GCIERN
Cn1cc(-c2ncc(C(=O)NC[C@@H]3CCC[C@@H]3NS(C)(=O)=O)s2)cn1	ZINC000160493565	531110709	/nfs/dbraw/zinc/11/07/09/531110709.db2.gz	YNMMTWVIUTYPAF-JQWIXIFHSA-N	0	0	383.499	0.991	10	70		GCIERN
CC1(C)CN(C(=O)Cn2cc(Br)ccc2=O)CCS1(=O)=O	ZINC000159862243	530121027	/nfs/dbraw/zinc/12/10/27/530121027.db2.gz	VPIIGQQWDNTAOX-UHFFFAOYSA-N	0	0	377.260	0.646	10	70		GCIERN
O=C(CS(=O)(=O)Cc1csc(Br)c1)N1CCNC(=O)C1	ZINC000160478439	530323331	/nfs/dbraw/zinc/32/33/31/530323331.db2.gz	PANDNDKCHAKRLR-UHFFFAOYSA-N	0	0	381.273	0.384	10	70		GCIERN
Cn1cc(-c2ncc(C(=O)NC[C@H]3CCC[C@@H]3NS(C)(=O)=O)s2)cn1	ZINC000160493698	531110854	/nfs/dbraw/zinc/11/08/54/531110854.db2.gz	YNMMTWVIUTYPAF-PWSUYJOCSA-N	0	0	383.499	0.991	10	70		GCIERN
NS(=O)(=O)c1ccc(CNC(=O)N2CCCN(CC(F)F)CC2)cc1	ZINC000159675774	530328716	/nfs/dbraw/zinc/32/87/16/530328716.db2.gz	LGNWSFWRWANCAH-UHFFFAOYSA-N	0	0	376.429	0.816	10	70		GCIERN