smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=[NH2+])c1ncc(C(F)(F)F)cn1 218730570 169140844 /nfs/dbraw/zinc/14/08/44/169140844.db2.gz LEZXPOTXXFPAOZ-UHFFFAOYSA-N 1 2 190.128 0.779 40 70 ACIBLO C=Cn1nnnc1C[NH+](CC)CC 217744239 371712288 /nfs/dbraw/zinc/71/22/88/371712288.db2.gz VQDYBHMNPZJXDD-UHFFFAOYSA-N 1 2 181.243 0.615 40 70 ACIBLO