smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N[N+]12CC[C@@]34c5ccccc5N5C(=O)C[C@@H]6OCC=C(C1)[C@H](C[C@@H]32)[C@@H]6[C@H]54 ZINC000027518881 717114587 /nfs/dbraw/zinc/11/45/87/717114587.db2.gz QRKXNMQJQQZNCY-GMLMXPDCSA-N 1 3 350.442 1.481 1 5 FDBFHO N[N@+]12CC[C@@]34c5ccccc5N5C(=O)C[C@@H]6OCC=C(C1)[C@H](C[C@@H]32)[C@@H]6[C@H]54 ZINC000253647193 717166722 /nfs/dbraw/zinc/16/67/22/717166722.db2.gz QRKXNMQJQQZNCY-ZFGPQYDPSA-N 1 3 350.442 1.481 1 5 FDBFHO N[N@@+]12CC[C@@]34c5ccccc5N5C(=O)C[C@@H]6OCC=C(C1)[C@H](C[C@@H]32)[C@@H]6[C@H]54 ZINC000253647191 717166634 /nfs/dbraw/zinc/16/66/34/717166634.db2.gz QRKXNMQJQQZNCY-UGPALIBZSA-N 1 3 350.442 1.481 1 5 FDBFHO