smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(S(=O)(=O)Nc2cc(S(C)(=O)=O)ccc2O)s1 ZINC000160325502 534212869 /nfs/dbraw/zinc/21/28/69/534212869.db2.gz FROJSZJFUQVNKG-UHFFFAOYSA-N 0 2 347.439 1.966 10 70 EDIELN CC(C)Cn1ccnc(N(C)Cc2nc(=O)c3sccc3[nH]2)c1=O ZINC000160604919 441900941 /nfs/dbraw/zinc/90/09/41/441900941.db2.gz ODVCQFQUGHSCTA-UHFFFAOYSA-N 0 2 345.428 1.834 10 70 EDIELN C[C@H]1C[C@@H]1CNC(=O)c1cc(F)c(F)c(S(N)(=O)=O)c1Cl ZINC000160342977 225392147 /nfs/dbraw/zinc/39/21/47/225392147.db2.gz VKYWWBFNBJPHRR-NTSWFWBYSA-N 0 2 338.763 1.651 10 70 EDIELN