smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+][C@@H]1CC[C@H](C(=O)NCc2ccc(N3CCNCC3)c(F)c2)C1 ZINC000237961932 416329139 /nfs/dbraw/zinc/32/91/39/416329139.db2.gz SIWVBCZBZIVRPN-UONOGXRCSA-N 1 3 320.412 0.979 50 10 DCCAHO [NH3+][C@@H]1CC[C@@H](C(=O)NCc2ccc(N3CCNCC3)c(F)c2)C1 ZINC000237942201 202398771 /nfs/dbraw/zinc/39/87/71/202398771.db2.gz SIWVBCZBZIVRPN-ZIAGYGMSSA-N 1 3 320.412 0.979 50 10 DCCAHO [NH3+][C@H]1CC[C@@H](C(=O)NCc2ccc(N3CCNCC3)c(F)c2)C1 ZINC000237870568 416328808 /nfs/dbraw/zinc/32/88/08/416328808.db2.gz SIWVBCZBZIVRPN-KGLIPLIRSA-N 1 3 320.412 0.979 50 10 DCCAHO [NH3+][C@H]1CC[C@H](C(=O)NCc2ccc(N3CCNCC3)c(F)c2)C1 ZINC000237895742 416329083 /nfs/dbraw/zinc/32/90/83/416329083.db2.gz SIWVBCZBZIVRPN-KBPBESRZSA-N 1 3 320.412 0.979 50 10 DCCAHO