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(OCCCl)N1CCc2nc(Cl)nc(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)c2C1 ZINC001164723624 720360328 /nfs/dbraw/zinc/36/03/28/720360328.db2.gz IFOWGIUKNJCXIP-RTBURBONSA-N 0 1 477.396 3.112 20 50 JGGDMN CC(C)N(C)Cc1cnc2n1CCN(c1nc(Cl)nc3c1CN(C(=O)OCCCl)CC3)[C@@H]2C ZINC001164860756 720943612 /nfs/dbraw/zinc/94/36/12/720943612.db2.gz RPQMHIVTTDONKC-OAHLLOKOSA-N 0 1 496.443 3.481 20 50 JGGDMN O=C(OCCCl)N1CCc2nc(Cl)nc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)c2C1 ZINC001164723620 720360853 /nfs/dbraw/zinc/36/08/53/720360853.db2.gz IFOWGIUKNJCXIP-RBUKOAKNSA-N 0 1 477.396 3.112 20 50 JGGDMN CC(C)N(C)Cc1cnc2n1CCN(c1nc(Cl)nc3c1CN(C(=O)OCCCl)CC3)[C@H]2C ZINC001164860754 720944177 /nfs/dbraw/zinc/94/41/77/720944177.db2.gz RPQMHIVTTDONKC-HNNXBMFYSA-N 0 1 496.443 3.481 20 50 JGGDMN O=C(OCCCl)N1CCc2nc(Cl)nc(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)c2C1 ZINC001164723614 720361573 /nfs/dbraw/zinc/36/15/73/720361573.db2.gz IFOWGIUKNJCXIP-MOPGFXCFSA-N 0 1 477.396 3.112 20 50 JGGDMN O=C(OCCCl)N1CCc2nc(Cl)nc(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)c2C1 ZINC001164723617 720361269 /nfs/dbraw/zinc/36/12/69/720361269.db2.gz IFOWGIUKNJCXIP-OALUTQOASA-N 0 1 477.396 3.112 20 50 JGGDMN