smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1c2cccc(Cl)c2C(=O)c2c(NCCNCCO)cccc21 ZINC000029407243 202186516 /nfs/dbraw/zinc/18/65/16/202186516.db2.gz NURAFFQJKUHJIY-UHFFFAOYSA-N 0 3 344.798 2.109 1 10 EECFHN C[C@@H]1CN(c2ccccn2)CCN1CCC(=O)Nc1ccc(N)cc1 ZINC000029548426 525069712 /nfs/dbraw/zinc/06/97/12/525069712.db2.gz UKXAKQZMPLLQIM-OAHLLOKOSA-N 0 3 339.443 2.203 1 10 EECFHN CCn1cc2c3c1cccc3[C@H]1C[C@@H](C(=O)OCCO)CN(C)[C@@H]1C2 ZINC000029482976 202187581 /nfs/dbraw/zinc/18/75/81/202187581.db2.gz LKSTYTVVPYKJOD-QGPMSJSTSA-N 0 3 342.439 2.157 1 10 EECFHN C[C@H]1CN(c2ccccn2)CCN1CCC(=O)Nc1ccc(N)cc1 ZINC000029548431 524673547 /nfs/dbraw/zinc/67/35/47/524673547.db2.gz UKXAKQZMPLLQIM-HNNXBMFYSA-N 0 3 339.443 2.203 1 10 EECFHN CCn1cc2c3c1cccc3[C@@H]1C[C@@H](C(=O)OCCO)CN(C)[C@H]1C2 ZINC000029482973 202187819 /nfs/dbraw/zinc/18/78/19/202187819.db2.gz LKSTYTVVPYKJOD-HFTRVMKXSA-N 0 3 342.439 2.157 1 10 EECFHN CCn1cc2c3c1cccc3[C@@H]1C[C@H](C(=O)OCCO)CN(C)[C@@H]1C2 ZINC000040374511 213293667 /nfs/dbraw/zinc/29/36/67/213293667.db2.gz LKSTYTVVPYKJOD-QILLFSRXSA-N 0 3 342.439 2.157 1 10 EECFHN