smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)c1ccc(CNC(=O)C[N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1 ZINC000192973177 1197249088 /nfs/dbraw/zinc/24/90/88/1197249088.db2.gz NCBRBBACFICLPC-GOSISDBHSA-N 1 1 388.512 0.940 10 10 GCCEMO CN(C)c1ccc(CNC(=O)C[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)cc1 ZINC000192973164 1197249123 /nfs/dbraw/zinc/24/91/23/1197249123.db2.gz NCBRBBACFICLPC-SFHVURJKSA-N 1 1 388.512 0.940 10 10 GCCEMO COc1ccc(N2CC[NH+](CCNC(=O)N3CC[C@@H](CC(N)=O)C3)CC2)cc1 ZINC000806620495 1205560028 /nfs/dbraw/zinc/56/00/28/1205560028.db2.gz YBDQKHLMWKZFMZ-INIZCTEOSA-N 1 1 389.500 0.724 10 10 GCCEMO COc1ccc(N2CC[NH+](CCNC(=O)N3CC[C@H](CC(N)=O)C3)CC2)cc1 ZINC000806620496 1205560079 /nfs/dbraw/zinc/56/00/79/1205560079.db2.gz YBDQKHLMWKZFMZ-MRXNPFEDSA-N 1 1 389.500 0.724 10 10 GCCEMO