smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[NH+]1CCC([NH2+][C@H]2CCCc3c4cc([N+](=O)[O-])ccc4[nH]c32)CC1 ZINC000005032136 204186599 /nfs/dbraw/zinc/18/65/99/204186599.db2.gz FTQNXGWSSXOUKZ-IBGZPJMESA-N 2 0 356.470 3.918 50 5 FHBARP CCC[NH+]1CCC([NH2+][C@@H]2CCCc3c4cc([N+](=O)[O-])ccc4[nH]c32)CC1 ZINC000005032132 570576652 /nfs/dbraw/zinc/57/66/52/570576652.db2.gz FTQNXGWSSXOUKZ-LJQANCHMSA-N 2 0 356.470 3.918 50 5 FHBARP C[N+]1(CCOC2CCCCC2)CC[N+](C)(CCOC2CCCCC2)CC1 ZINC000000825396 219327223 /nfs/dbraw/zinc/32/72/23/219327223.db2.gz GQJZNSJHSQZQHA-UHFFFAOYSA-N 2 0 368.606 3.592 50 5 FHBARP