smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1c(CN[C@H](c2cnc[nH]2)C2CC[NH2+]CC2)no[n+]1[O-] ZINC000040424024 183065046 /nfs/dbraw/zinc/06/50/46/183065046.db2.gz UXAFBWQGRAUHKN-ZDUSSCGKSA-N 1 1 303.326 -0.267 1 30 DBEFMO COc1c(C=NNC(=N)N)ccc(C=NNC(N)=[NH2+])c1OC ZINC000042923362 183319082 /nfs/dbraw/zinc/31/90/82/183319082.db2.gz XSKQZSLWENPFMF-QJZPKIEXSA-N 1 1 306.330 -0.872 1 30 DBEFMO O=C(NO)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000072105259 191037036 /nfs/dbraw/zinc/03/70/36/191037036.db2.gz UBSUORANCXYVKA-AGIUHOORSA-N 1 1 305.334 -0.832 1 30 DBEFMO N#Cc1c(CN[C@@H](c2cnc[nH]2)C2CC[NH2+]CC2)no[n+]1[O-] ZINC000040424023 183065095 /nfs/dbraw/zinc/06/50/95/183065095.db2.gz UXAFBWQGRAUHKN-CYBMUJFWSA-N 1 1 303.326 -0.267 1 30 DBEFMO