smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=O)C1(N2CCCCC2)CCN(C(=O)C23C[NH2+]CC2C[NH2+]C3)CC1 ZINC000065396135 303236517 /nfs/dbraw/zinc/23/65/17/303236517.db2.gz LNWXDAGQBYACQA-UHFFFAOYSA-N 2 3 349.479 -0.872 50 0 EBAAHP C[C@]1(C(=O)NC[C@H](CN)NC(=O)[C@@]2(C)CCC[NH2+]C2)CCC[NH2+]C1 ZINC000888096533 582605399 /nfs/dbraw/zinc/60/53/99/582605399.db2.gz HUHMXNIMBHVRMN-JQFCIGGWSA-N 2 3 339.484 -0.675 50 0 EBAAHP C[C@@]1(C(=O)N[C@@H](CN)CNC(=O)[C@@]2(C)CCC[NH2+]C2)CCC[NH2+]C1 ZINC000888096534 582605509 /nfs/dbraw/zinc/60/55/09/582605509.db2.gz HUHMXNIMBHVRMN-RRQGHBQHSA-N 2 3 339.484 -0.675 50 0 EBAAHP C[C@]1(C(=O)NC[C@@H](CN)NC(=O)[C@@]2(C)CCC[NH2+]C2)CCC[NH2+]C1 ZINC000888096532 582605470 /nfs/dbraw/zinc/60/54/70/582605470.db2.gz HUHMXNIMBHVRMN-COXVUDFISA-N 2 3 339.484 -0.675 50 0 EBAAHP C[C@@]1(C(=O)N[C@H](CN)CNC(=O)[C@@]2(C)CCC[NH2+]C2)CCC[NH2+]C1 ZINC000888096535 582605427 /nfs/dbraw/zinc/60/54/27/582605427.db2.gz HUHMXNIMBHVRMN-XOKHGSTOSA-N 2 3 339.484 -0.675 50 0 EBAAHP