smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(N[C@@H]1CCC(=O)NC1=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-] ZINC000764874519 1079379414 /nfs/dbraw/zinc/37/94/14/1079379414.db2.gz BCMWBPHYWSDTCQ-LLVKDONJSA-N -2 1 409.445 0.790 20 10 HCCDML O=C(N[C@H]1CCC(=O)NC1=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-] ZINC000764874520 1079379488 /nfs/dbraw/zinc/37/94/88/1079379488.db2.gz BCMWBPHYWSDTCQ-NSHDSACASA-N -2 1 409.445 0.790 20 10 HCCDML COC(=O)[C@@H](O)CNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-] ZINC000765394588 1079426474 /nfs/dbraw/zinc/42/64/74/1079426474.db2.gz NABFIHAMFDWFEJ-LBPRGKRZSA-N -2 1 400.434 0.518 20 10 HCCDML