smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(Cc1cccc2ccccc21)N1CCC(C[NH2+]CCCC[NH+]2CCCCC2)CC1 ZINC000013836739 581101731 /nfs/dbraw/zinc/10/17/31/581101731.db2.gz NUXSPGYSPNCIET-UHFFFAOYSA-N 2 0 421.629 4.477 1 0 HIAFRP Cc1cccc(Cl)c1Nc1nc2ccc(N3CC[NH+](C)CC3)cc2n2c[nH+]cc12 ZINC000013860324 581092794 /nfs/dbraw/zinc/09/27/94/581092794.db2.gz DKECGYMSIZVLSZ-UHFFFAOYSA-N 2 0 406.921 4.340 1 0 HIAFRP C[C@@H]1CC[C@@H]2[C@]3(C)O[C@]4(C)CC[C@]12C[C@@H]4[C@@H]3[NH2+]CCCC[N@H+](C)CCC[NH+](C)C ZINC000003806412 560189685 /nfs/dbraw/zinc/18/96/85/560189685.db2.gz JIRJLWLQLDLWSW-XNDBBLGPSA-N 3 0 405.671 4.002 1 0 in-vitro HIAFRP