smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)CCNC(=O)CC[C@H]1CN(Cc2ccc(Cl)cc2)CC[C@H]1N1CCOCC1 ZINC000299780786 568757187 /nfs/dbraw/zinc/75/71/87/568757187.db2.gz BGFDEHLJZISOPQ-RBBKRZOGSA-N 1 3 437.028 2.321 10 0 IEAEHO CCN(Cc1ccncc1)Cc1ccc(OC)c(OC[C@@H](O)CN2CCC[N@H+](C)CC2)c1 ZINC000039500077 569481625 /nfs/dbraw/zinc/48/16/25/569481625.db2.gz PCBXPYROGDMXCO-QHCPKHFHSA-N 1 3 442.604 2.490 10 0 IEAEHO CCN(Cc1ccncc1)Cc1ccc(OC)c(OC[C@@H](O)CN2CCC[N@@H+](C)CC2)c1 ZINC000039500077 569481626 /nfs/dbraw/zinc/48/16/26/569481626.db2.gz PCBXPYROGDMXCO-QHCPKHFHSA-N 1 3 442.604 2.490 10 0 IEAEHO CCN(Cc1ccncc1)Cc1ccc(OC)c(OC[C@H](O)CN2CCC[N@H+](C)CC2)c1 ZINC000039500076 569481654 /nfs/dbraw/zinc/48/16/54/569481654.db2.gz PCBXPYROGDMXCO-HSZRJFAPSA-N 1 3 442.604 2.490 10 0 IEAEHO CCN(Cc1ccncc1)Cc1ccc(OC)c(OC[C@H](O)CN2CCC[N@@H+](C)CC2)c1 ZINC000039500076 569481655 /nfs/dbraw/zinc/48/16/55/569481655.db2.gz PCBXPYROGDMXCO-HSZRJFAPSA-N 1 3 442.604 2.490 10 0 IEAEHO