smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CNC(=[NH2+])NN=Cc1c2ccccc2c(C=NNC(=[NH2+])NC)c2ccccc12 ZINC000043919967 205104810 /nfs/dbraw/zinc/10/48/10/205104810.db2.gz FEYWTFUTTKGNEU-KOZSXFMUSA-N 2 2 374.452 1.729 1 30 FDEFLP CC(=NNC(N)=[NH2+])c1ccc(Oc2ccc(C(C)=NNC(N)=[NH2+])cc2)cc1 ZINC000066258509 221242690 /nfs/dbraw/zinc/24/26/90/221242690.db2.gz IYZZCNSHNSLCKV-ASIDMNOUSA-N 2 2 366.429 1.893 1 30 FDEFLP