smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(-c2n[nH]c(=S)n2N=Cc2c(O)ccc3ccccc32)cc1 ZINC000001473683 570501063 /nfs/dbraw/zinc/50/10/63/570501063.db2.gz JRQYJPYPGWICEA-CIAFOILYSA-N -2 1 360.442 4.657 50 30 FJEAML [O-]c1ccc(Cl)cc1/N=C/c1cc(Br)cc(Cl)c1[O-] ZINC000003114673 571344826 /nfs/dbraw/zinc/34/48/26/571344826.db2.gz CKIGATXWRGIYGK-UBKPWBPPSA-N -2 1 361.022 4.918 50 30 FJEAML C=CCc1cccc(C=Nn2c(=S)[nH]nc2-c2cccc(Cl)c2)c1O ZINC000006692324 571276615 /nfs/dbraw/zinc/27/66/15/571276615.db2.gz CRZSRKREOHZDBX-RGVLZGJSSA-N -2 1 370.865 4.577 50 30 FJEAML