smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]CCNc1ccc2c(CNCCO)nn3c2c1c(=O)c1c(O)cccc13 ZINC000003800755 204110502 /nfs/dbraw/zinc/11/05/02/204110502.db2.gz HLYQEHUIUQCKRO-UHFFFAOYSA-N 1 1 367.409 0.597 1 5 FCBFMO C[NH+]1CCN(c2ccc3nnc4c([N+](=O)[O-])cnn4c3c2[N+](=O)[O-])CC1 ZINC000040936928 136120687 /nfs/dbraw/zinc/12/06/87/136120687.db2.gz ZKBGQZPVVZLNMO-UHFFFAOYSA-N 1 1 358.318 0.846 1 5 FCBFMO