smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)co1 ZINC000159758286 206263028 /nfs/dbraw/zinc/26/30/28/206263028.db2.gz JPBCWLUNEHQJCF-DOMZBBRYSA-N -1 1 342.417 0.955 10 70 ECIEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)co1 ZINC000159758560 530025081 /nfs/dbraw/zinc/02/50/81/530025081.db2.gz JPBCWLUNEHQJCF-WFASDCNBSA-N -1 1 342.417 0.955 10 70 ECIEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)co1 ZINC000159758416 530025090 /nfs/dbraw/zinc/02/50/90/530025090.db2.gz JPBCWLUNEHQJCF-SWLSCSKDSA-N -1 1 342.417 0.955 10 70 ECIEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)co1 ZINC000159758129 530025047 /nfs/dbraw/zinc/02/50/47/530025047.db2.gz JPBCWLUNEHQJCF-IUODEOHRSA-N -1 1 342.417 0.955 10 70 ECIEMM