smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@@H+]1CCC[C@@H]1CC[NH2+]Cc1cc(-c2ccnc3cc(Cl)ccc32)ccc1O ZINC000045374698 570990491 /nfs/dbraw/zinc/99/04/91/570990491.db2.gz HFDHFUIYFUJYFA-LJQANCHMSA-N 2 0 395.934 4.835 50 10 GJCARP Cc1cc(N2CCC3(CCC[N@@H+]3Cc3ccccc3O)CC2)c2ccccc2[nH+]1 ZINC000072422504 136169806 /nfs/dbraw/zinc/16/98/06/136169806.db2.gz OSYYGNSMROAAFT-UHFFFAOYSA-N 2 0 387.527 4.884 50 10 GJCARP C[N@@H+]1CCC[C@H]1CC[NH2+]Cc1cc(-c2ccnc3cc(Cl)ccc32)ccc1O ZINC000045374700 570990459 /nfs/dbraw/zinc/99/04/59/570990459.db2.gz HFDHFUIYFUJYFA-IBGZPJMESA-N 2 0 395.934 4.835 50 10 GJCARP COc1ccc2ccc(O)c(C[NH+]3CCC(C[NH+]4CCCCCC4)CC3)c2c1 ZINC000032926902 570938393 /nfs/dbraw/zinc/93/83/93/570938393.db2.gz XLHBMGQRULQJMR-UHFFFAOYSA-N 2 0 382.548 4.642 50 10 GJCARP