smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nc2sc([C@H](c3cccc(F)c3)N3CCN(S(C)(=O)=O)CC3)c([O-])n2n1	ZINC000218219281	557182866	/nfs/dbraw/zinc/18/28/66/557182866.db2.gz	CJTBXMWKDXTLOZ-AWEZNQCLSA-N	-1	0	425.511	1.611	50	70		IDIARM
CCOC(=O)N1CCN(c2nc3ccccc3nc2[N-]S(=O)(=O)c2cnn(C)c2)CC1	ZINC000217973557	569455476	/nfs/dbraw/zinc/45/54/76/569455476.db2.gz	RZYDNTASBBBDHW-UHFFFAOYSA-N	-1	0	445.505	1.443	50	70		IDIARM
COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)Nc1ccc(S(=O)(=O)[N-]C(C)=O)cc1	ZINC000218241541	557184047	/nfs/dbraw/zinc/18/40/47/557184047.db2.gz	YFSDVCMVQABLJA-INIZCTEOSA-N	-1	0	448.453	1.769	50	70		IDIARM
Cn1cc(S(=O)(=O)[N-]c2nc3ccccc3nc2N2CCC3(CC2)OCCO3)cn1	ZINC000217973219	569455520	/nfs/dbraw/zinc/45/55/20/569455520.db2.gz	PLSACMKLSFOOBE-UHFFFAOYSA-N	-1	0	430.490	1.507	50	70		IDIARM
Cc1nc2sc([C@@H](c3cccc(F)c3)N3CCN(S(C)(=O)=O)CC3)c([O-])n2n1	ZINC000218219349	557182789	/nfs/dbraw/zinc/18/27/89/557182789.db2.gz	CJTBXMWKDXTLOZ-CQSZACIVSA-N	-1	0	425.511	1.611	50	70		IDIARM
CCOC(=O)[C@H]1CCCN(c2nc3ccccc3nc2[N-]S(=O)(=O)c2cnn(C)c2)C1	ZINC000217973110	569455521	/nfs/dbraw/zinc/45/55/21/569455521.db2.gz	RFCKBFKWQTUOML-AWEZNQCLSA-N	-1	0	444.517	1.944	50	70		IDIARM
COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)Nc1ccc(S(=O)(=O)[N-]C(C)=O)cc1	ZINC000218241495	557184092	/nfs/dbraw/zinc/18/40/92/557184092.db2.gz	YFSDVCMVQABLJA-MRXNPFEDSA-N	-1	0	448.453	1.769	50	70		IDIARM
CCOC(=O)[C@@H]1CCCN(c2nc3ccccc3nc2[N-]S(=O)(=O)c2cnn(C)c2)C1	ZINC000217973018	569455526	/nfs/dbraw/zinc/45/55/26/569455526.db2.gz	RFCKBFKWQTUOML-CQSZACIVSA-N	-1	0	444.517	1.944	50	70		IDIARM