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+])Nc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CC[N@@H+]2CC1CC1)[C@H]3O5 ZINC000003941269 194367007 /nfs/dbraw/zinc/36/70/07/194367007.db2.gz VLNHDKDBGWXJEE-GYHUNEDQSA-N 2 0 471.561 2.878 10 0 in-vivo JFAERP