smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1[nH+]cnc2c1c(I)cn2[C@@H]1O[C@H](C[NH3+])[C@@H](O)[C@H]1O ZINC000013809475 207001548 /nfs/dbraw/zinc/00/15/48/207001548.db2.gz SRBPVSSBBJGNEB-IOSLPCCCSA-N 2 2 391.169 -0.804 1 0 GBAFLP