smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1CCc2cc(Br)c(S(=O)(=O)Nc3nncs3)cc2N1	ZINC000160568791	530553132	/nfs/dbraw/zinc/55/31/32/530553132.db2.gz	BWUFBXJALBAFQR-UHFFFAOYSA-N	0	2	389.256	1.986	20	70		GDIDLN
CN(C)C(=O)c1cccc(S(=O)(=O)Nc2ccn(CC(F)(F)F)n2)c1	ZINC000160254304	530550243	/nfs/dbraw/zinc/55/02/43/530550243.db2.gz	COHRVKANIYWTGM-UHFFFAOYSA-N	0	2	376.360	1.948	20	70		GDIDLN
Cc1cnn(-c2ccc(S(=O)(=O)Nc3ncc(C(N)=O)s3)cc2F)c1	ZINC000160893021	530555969	/nfs/dbraw/zinc/55/59/69/530555969.db2.gz	RQKYDGCEZCIDIF-UHFFFAOYSA-N	0	2	381.414	1.676	20	70		GDIDLN
CC(=O)NCCc1ccc(S(=O)(=O)Nc2nnc(C(F)F)s2)cc1	ZINC000160475298	530552310	/nfs/dbraw/zinc/55/23/10/530552310.db2.gz	DUQDPEFZNLRSGF-UHFFFAOYSA-N	0	2	376.410	1.955	20	70		GDIDLN
Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1ccc(F)cc1CS(C)(=O)=O	ZINC000161055113	530557364	/nfs/dbraw/zinc/55/73/64/530557364.db2.gz	HCAXOECGIUQIEE-UHFFFAOYSA-N	0	2	395.865	1.866	20	70		GDIDLN
NC(=O)Cn1cc(NS(=O)(=O)c2cc(F)c(Br)cc2F)cn1	ZINC000160052434	530548940	/nfs/dbraw/zinc/54/89/40/530548940.db2.gz	XFBXPLKGCAOEJI-UHFFFAOYSA-N	0	2	395.185	1.210	20	70		GDIDLN
CC(C)n1cc(S(=O)(=O)Nc2ccc(F)cc2CS(C)(=O)=O)cn1	ZINC000161055659	530557374	/nfs/dbraw/zinc/55/73/74/530557374.db2.gz	JNKYIJKSPZJVRU-UHFFFAOYSA-N	0	2	375.447	1.949	20	70		GDIDLN
Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)Nc1ccn(CC(F)(F)F)n1	ZINC000160219146	530549572	/nfs/dbraw/zinc/54/95/72/530549572.db2.gz	VWTOIOBPVSPWGK-UHFFFAOYSA-N	0	2	397.400	1.958	20	70		GDIDLN
CS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccn(CC(F)(F)F)n2)c1	ZINC000160265181	530550375	/nfs/dbraw/zinc/55/03/75/530550375.db2.gz	RZCPGMRVBGJHER-UHFFFAOYSA-N	0	2	383.373	1.650	20	70		GDIDLN
CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccn(CC(F)(F)F)n2)cc1	ZINC000160251173	530550446	/nfs/dbraw/zinc/55/04/46/530550446.db2.gz	NBWOAAYMNGCKNI-UHFFFAOYSA-N	0	2	383.373	1.650	20	70		GDIDLN
CS(=O)(=O)Nc1nnc(NC(=O)Cc2cccc(Br)c2)s1	ZINC000160824466	530555236	/nfs/dbraw/zinc/55/52/36/530555236.db2.gz	RRFSXQAZIQUNGR-UHFFFAOYSA-N	0	2	391.272	1.853	20	70		GDIDLN
Cc1nc(CN2CCN(C(=O)c3ccc(Br)c(O)c3)CC2)n[nH]1	ZINC000160702971	530554517	/nfs/dbraw/zinc/55/45/17/530554517.db2.gz	LVTQQFVMLOAGLV-UHFFFAOYSA-N	0	2	380.246	1.539	20	70		GDIDLN
O=S(=O)(Nc1ccn(CC(F)(F)F)n1)c1ccc2c(c1)S(=O)(=O)CC2	ZINC000160261848	530550514	/nfs/dbraw/zinc/55/05/14/530550514.db2.gz	NUWNSEVGEJDQJL-UHFFFAOYSA-N	0	2	395.384	1.576	20	70		GDIDLN