smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCC[N@@H+](Cc1ccccc1)Cc1ccc(N(CC)CC)cc1 ZINC000001644117 563289264 /nfs/dbraw/zinc/28/92/64/563289264.db2.gz YZPQQCILOKVRBW-UHFFFAOYSA-N 1 1 324.512 5.335 40 10 DKCBMO Cc1[nH+]c2cccc(NN=C3C(=O)C=Cc4ccccc43)c2n1C ZINC000004455834 181110436 /nfs/dbraw/zinc/11/04/36/181110436.db2.gz CIXTYBFROVGSAP-QURGRASLSA-N 1 1 316.364 5.156 40 10 DKCBMO Cc1cc(NN=C2C=CC(=O)c3ncccc32)c2ccccc2[nH+]1 ZINC000018007512 182089593 /nfs/dbraw/zinc/08/95/93/182089593.db2.gz HHUFIGIXDXFTET-GHVJWSGMSA-N 1 1 314.348 5.212 40 10 DKCBMO Cc1cc(NN=C2C=CC(=O)c3ncccc32)c2ccccc2[nH+]1 ZINC000104069177 563561865 /nfs/dbraw/zinc/56/18/65/563561865.db2.gz HHUFIGIXDXFTET-FCQUAONHSA-N 1 1 314.348 5.212 40 10 DKCBMO