smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)CC1 ZINC000514377695 1066391287 /nfs/dbraw/zinc/39/12/87/1066391287.db2.gz FLMWJQNXYXPJKY-JOCHJYFZSA-N 0 3 534.704 3.955 20 5 KHBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)CC1 ZINC000514377696 1066391373 /nfs/dbraw/zinc/39/13/73/1066391373.db2.gz FLMWJQNXYXPJKY-QFIPXVFZSA-N 0 3 534.704 3.955 20 5 KHBDHN CN(C)CCN(Cc1ccccc1)C(=O)C1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])CC1 ZINC000514384820 1066412242 /nfs/dbraw/zinc/41/22/42/1066412242.db2.gz YKKLNCBLTHHAQO-UHFFFAOYSA-N 0 3 557.717 3.576 20 5 KHBDHN