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(N3CC[NH2+]CC3)c(F)c2)C1 ZINC000237961932 416329138 /nfs/dbraw/zinc/32/91/38/416329138.db2.gz SIWVBCZBZIVRPN-UONOGXRCSA-N 2 0 320.412 0.979 50 10 DCCARP [NH3+][C@@H]1CC[C@@H](C(=O)NCc2ccc(N3CC[NH2+]CC3)c(F)c2)C1 ZINC000237942201 202398767 /nfs/dbraw/zinc/39/87/67/202398767.db2.gz SIWVBCZBZIVRPN-ZIAGYGMSSA-N 2 0 320.412 0.979 50 10 DCCARP [NH3+][C@H]1CC[C@@H](C(=O)NCc2ccc(N3CC[NH2+]CC3)c(F)c2)C1 ZINC000237870568 416328807 /nfs/dbraw/zinc/32/88/07/416328807.db2.gz SIWVBCZBZIVRPN-KGLIPLIRSA-N 2 0 320.412 0.979 50 10 DCCARP [NH3+][C@H]1CC[C@H](C(=O)NCc2ccc(N3CC[NH2+]CC3)c(F)c2)C1 ZINC000237895742 416329082 /nfs/dbraw/zinc/32/90/82/416329082.db2.gz SIWVBCZBZIVRPN-KBPBESRZSA-N 2 0 320.412 0.979 50 10 DCCARP