smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1(NC(=O)OC(C)(C)C)CC1 ZINC000167338341 1425224711 /nfs/dbraw/zinc/22/47/11/1425224711.db2.gz JHGMIBPDJXMZAW-QZTJIDSGSA-N 1 0 388.508 3.355 30 0 GGACRO [NH3+]CCCNc1nc2cc(C(F)(F)F)c(Br)cc2n2ccnc12 ZINC000575449256 566272006 /nfs/dbraw/zinc/27/20/06/566272006.db2.gz UDQLTDILNPWDEM-UHFFFAOYSA-N 1 0 388.191 3.425 30 0 GGACRO CCOC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1(NC(=O)OC(C)(C)C)CC1 ZINC000167031518 1425220440 /nfs/dbraw/zinc/22/04/40/1425220440.db2.gz JHGMIBPDJXMZAW-ZWKOTPCHSA-N 1 0 388.508 3.355 30 0 GGACRO Cc1cccn2c(CN3CC[NH2+]CC3)c(-c3ccc(Br)cc3)nc12 ZINC000022464881 564317576 /nfs/dbraw/zinc/31/75/76/564317576.db2.gz DWWZVFFLGRONKO-UHFFFAOYSA-N 1 0 385.309 3.477 30 0 GGACRO