smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1nc(N2CCN3C[C@@H](Cn4cncn4)CC[C@H]3C2)nc2nc(-c3ccco3)nn21 ZINC000013585862 581095883 /nfs/dbraw/zinc/09/58/83/581095883.db2.gz WYUVXSPWYZTIEW-KBPBESRZSA-N 0 3 421.469 0.554 1 0 HCAFHN C/C(c1cc(CNC(=O)[C@@H]2CNCCN2)c[nH]1)=C1\c2cc(NC(N)=O)ccc2NC1=O ZINC000040587719 581091945 /nfs/dbraw/zinc/09/19/45/581091945.db2.gz PANBKHQUCFTTQA-PBXDPIQXSA-N 0 3 423.477 0.566 1 0 HCAFHN C/C(c1cc(CNC(=O)[C@H]2CNCCN2)c[nH]1)=C1\c2cc(NC(N)=O)ccc2NC1=O ZINC000040587720 581091929 /nfs/dbraw/zinc/09/19/29/581091929.db2.gz PANBKHQUCFTTQA-LVSMMTLPSA-N 0 3 423.477 0.566 1 0 HCAFHN COC(=O)[C@]12CC[C@]3(C1)[C@@H]1N(CC[C@@]14c1cccc(OC)c1N[C@@]24O)C[C@@H](O)[C@@H]3O ZINC000095912648 291177141 /nfs/dbraw/zinc/17/71/41/291177141.db2.gz GNXKRDYLQPMSRO-XXWJJZDTSA-N 0 3 416.474 0.200 1 0 biogenic,in-vitro HCAFHN