smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1=C(N=NC(N)=[NH2+])CC[C@@]2(C)C1CC[C@H]2CN=NC(N)=[NH2+] ZINC000043598797 183375114 /nfs/dbraw/zinc/37/51/14/183375114.db2.gz YVOPDEINOANKQD-NWRKUDMYSA-N 2 0 304.402 0.402 1 30 DCEFRP CC1=C(N=NC(N)=[NH2+])CC[C@@]2(C)C1CC[C@@H]2CN=NC(N)=[NH2+] ZINC000043599258 183375458 /nfs/dbraw/zinc/37/54/58/183375458.db2.gz YVOPDEINOANKQD-ITZVSPLNSA-N 2 0 304.402 0.402 1 30 DCEFRP N/C(=N\O)c1cc[n+](CCC[n+]2ccc(/C=N/O)cc2)cc1 ZINC000066166101 184394751 /nfs/dbraw/zinc/39/47/51/184394751.db2.gz CUHOFHGNYKQZOY-UHFFFAOYSA-P 2 0 301.350 0.255 1 30 DCEFRP