smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1cccc(C[N@H+](CC)C[C@H]2CCC[NH+](CCc3cccc(OC)c3)C2)c1O ZINC000011812771 562979283 /nfs/dbraw/zinc/97/92/83/562979283.db2.gz ZRWDGOQXUOJAHZ-JOCHJYFZSA-N 2 0 426.601 4.576 50 10 IJCARP CCOc1cccc(C[N@H+](CC)C[C@@H]2CCC[NH+](CCc3cccc(OC)c3)C2)c1O ZINC000011812769 562979312 /nfs/dbraw/zinc/97/93/12/562979312.db2.gz ZRWDGOQXUOJAHZ-QFIPXVFZSA-N 2 0 426.601 4.576 50 10 IJCARP