smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ncnc5[nH]c(C)cc54)c3)cc2C(F)(F)F)CC1 ZINC000100070334 554200954 /nfs/dbraw/zinc/20/09/54/554200954.db2.gz RWNAOXLCVXJMGM-UHFFFAOYSA-N 0 1 552.601 5.776 30 0 KKACMN O=C(NC1CCN(Cc2ccncc2)CC1)c1cc2cc(OC3CCN(c4ccc(C(F)(F)F)cc4)CC3)ccc2o1 ZINC000114314281 1069723204 /nfs/dbraw/zinc/72/32/04/1069723204.db2.gz LKEAXBYFCTZTLD-UHFFFAOYSA-N 0 1 578.635 6.289 30 0 KKACMN