smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(S(=O)(=O)Nc2c(-c3ccc(Br)cc3)c(C)nn2C)cn1	ZINC000170617493	569147497	/nfs/dbraw/zinc/14/74/97/569147497.db2.gz	ZIYPNKQUVZGQMQ-UHFFFAOYSA-N	0	2	437.319	3.362	20	0		IGADLN
CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2nnc(-c3ccccn3)s2)cc1Cl	ZINC000079061449	569323934	/nfs/dbraw/zinc/32/39/34/569323934.db2.gz	BQUFXPOGQHIRPQ-UHFFFAOYSA-N	0	2	427.870	3.152	20	0		IGADLN
Cc1cccc(NC(=O)c2ccc(NC(=O)C[C@H]3SC(N4CCCC4)=NC3=O)cc2)n1	ZINC000014683665	563014737	/nfs/dbraw/zinc/01/47/37/563014737.db2.gz	BXWLPNFZYFZMDU-QGZVFWFLSA-N	0	2	437.525	3.065	20	0		IGADLN
Cc1cccc(NC(=O)c2ccc(NC(=O)CC3SC(N4CCCC4)=NC3=O)cc2)n1	ZINC000014683665	563014738	/nfs/dbraw/zinc/01/47/38/563014738.db2.gz	BXWLPNFZYFZMDU-QGZVFWFLSA-N	0	2	437.525	3.065	20	0		IGADLN
Cc1cccc(NC(=O)c2ccc(NC(=O)C[C@@H]3SC(N4CCCC4)=NC3=O)cc2)n1	ZINC000014683663	563014714	/nfs/dbraw/zinc/01/47/14/563014714.db2.gz	BXWLPNFZYFZMDU-KRWDZBQOSA-N	0	2	437.525	3.065	20	0		IGADLN
Cc1cccc(NC(=O)c2ccc(NC(=O)CC3SC(N4CCCC4)=NC3=O)cc2)n1	ZINC000014683663	563014717	/nfs/dbraw/zinc/01/47/17/563014717.db2.gz	BXWLPNFZYFZMDU-KRWDZBQOSA-N	0	2	437.525	3.065	20	0		IGADLN
O=C(c1ccc2c(c1)[nH]c(=S)n(Cc1ccco1)c2=O)N1CCN(c2ccccc2)CC1	ZINC000014052066	563014375	/nfs/dbraw/zinc/01/43/75/563014375.db2.gz	KUVYCHRDFZKBHJ-UHFFFAOYSA-N	0	2	446.532	3.289	20	0		IGADLN