smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCn1cc(N2C(=O)/C(=C/c3ccc(OC(=O)c4ccccc4Cl)c(OC)c3)SC2=S)cn1 ZINC000726197348 1072907018 /nfs/dbraw/zinc/90/70/18/1072907018.db2.gz REEUXRHQGXPQHV-JAIQZWGSSA-N 0 0 500.001 5.190 20 10 KKCDRN Nc1ccc(N(C(=O)C2CCN(C(=O)c3cc(Cl)ccn3)CC2)c2ccc3ccccc3c2N)cc1 ZINC001219471433 1072915127 /nfs/dbraw/zinc/91/51/27/1072915127.db2.gz FHZMYIJJKUVYGQ-UHFFFAOYSA-N 0 0 500.002 5.270 20 10 KKCDRN Cc1cc(-c2cncc(Cl)n2)ccc1C(=O)N1CCN(c2ccc(OCc3cccnc3)cc2)CC1 ZINC001197769321 1071301118 /nfs/dbraw/zinc/30/11/18/1071301118.db2.gz QKHPJXLXHUDQCH-UHFFFAOYSA-N 0 0 500.002 5.042 20 10 KKCDRN CCn1cc(N2C(=O)/C(=C\c3ccc(OC(=O)c4ccccc4Cl)c(OC)c3)SC2=S)cn1 ZINC000726197353 1072907131 /nfs/dbraw/zinc/90/71/31/1072907131.db2.gz REEUXRHQGXPQHV-RGVLZGJSSA-N 0 0 500.001 5.190 20 10 KKCDRN