smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1cc(N2CCC([NH2+]CC[NH+]3CCCCC3)CC2)cc2c1OCO2 ZINC000019346165 463017584 /nfs/dbraw/zinc/01/75/84/463017584.db2.gz VHAFICQXNJIHMI-UHFFFAOYSA-N 2 2 331.460 2.460 40 10 EECBLP C[NH+]1CCN(c2ccc(CNC(=S)Nc3cc[nH+]cc3)cc2)CC1 ZINC000225777536 536421518 /nfs/dbraw/zinc/42/15/18/536421518.db2.gz UTXFHLWUBGBHRF-UHFFFAOYSA-N 2 2 341.484 2.320 40 10 EECBLP COc1cccc2c(N)c3cccc(C(=O)NCC[NH+](C)C)c3[nH+]c12 ZINC000005845700 462671059 /nfs/dbraw/zinc/67/10/59/462671059.db2.gz XCIIYQHJFSLOSD-UHFFFAOYSA-N 2 2 338.411 2.270 40 10 EECBLP Cc1c(C[NH+]2CCOCC2)cc(C(C)C)c(O)c1C[NH+]1CCOCC1 ZINC000031637369 463348258 /nfs/dbraw/zinc/34/82/58/463348258.db2.gz PBVYPADTMDCSCC-UHFFFAOYSA-N 2 2 348.487 2.488 40 10 EECBLP