smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=NNC(N)=[NH2+])c1cccc(NC(=S)Nc2cccc(C(C)=NNC(N)=[NH2+])c2)c1 ZINC000017005537 558811493 /nfs/dbraw/zinc/81/14/93/558811493.db2.gz IEIFWPDVLLMQFL-ZDZOGZAPSA-N 2 2 424.538 1.910 40 30 HDEBLP CC(=NNC(N)=[NH2+])c1ccc(NC(=O)Nc2ccc(C(C)=NNC(N)=[NH2+])cc2)cc1 ZINC000017041997 558812649 /nfs/dbraw/zinc/81/26/49/558812649.db2.gz HCAQGQIHBFVVIX-BWGHBQEHSA-N 2 2 408.470 1.745 40 30 HDEBLP CC(=NNC(N)=[NH2+])c1cccc(NC(=O)Nc2cccc(C(C)=NNC(N)=[NH2+])c2)c1 ZINC000017005545 558811516 /nfs/dbraw/zinc/81/15/16/558811516.db2.gz RTQKJDTXNVTSDW-ZDZOGZAPSA-N 2 2 408.470 1.745 40 30 HDEBLP [NH3+]Cc1nnn(Cc2ccccc2)c1N=CNc1c(C[NH3+])nnn1Cc1ccccc1 ZINC000005395581 557650714 /nfs/dbraw/zinc/65/07/14/557650714.db2.gz JNBXHPZLCJVKET-UHFFFAOYSA-N 2 2 416.493 1.656 40 30 HDEBLP CC(=NNC(N)=[NH2+])c1ccc(NC(=O)Nc2ccc(C(C)=NNC(N)=[NH2+])cc2)cc1 ZINC000008649453 557798617 /nfs/dbraw/zinc/79/86/17/557798617.db2.gz HCAQGQIHBFVVIX-ZDZOGZAPSA-N 2 2 408.470 1.745 40 30 HDEBLP C=C(C)Cn1c(=O)c2c(nc3n2[C@@H](C)C(C)=[NH+]N3CC[NH+]2CCCCC2)n(C)c1=O ZINC000010336547 568988892 /nfs/dbraw/zinc/98/88/92/568988892.db2.gz YXMLBCHIMGNQRQ-INIZCTEOSA-N 2 2 413.526 1.716 40 30 HDEBLP C=C(C)Cn1c(=O)c2c(nc3n2[C@H](C)C(C)=[NH+]N3CC[NH+]2CCCCC2)n(C)c1=O ZINC000010336541 568988858 /nfs/dbraw/zinc/98/88/58/568988858.db2.gz YXMLBCHIMGNQRQ-MRXNPFEDSA-N 2 2 413.526 1.716 40 30 HDEBLP CC(=NNC(N)=[NH2+])c1cccc(NC(=S)Nc2cccc(C(C)=NNC(N)=[NH2+])c2)c1 ZINC000017005532 558811500 /nfs/dbraw/zinc/81/15/00/558811500.db2.gz IEIFWPDVLLMQFL-BWGHBQEHSA-N 2 2 424.538 1.910 40 30 HDEBLP CC(=NNC(N)=[NH2+])c1cccc(NC(=O)Nc2cccc(C(C)=NNC(N)=[NH2+])c2)c1 ZINC000017005541 558811536 /nfs/dbraw/zinc/81/15/36/558811536.db2.gz RTQKJDTXNVTSDW-BWGHBQEHSA-N 2 2 408.470 1.745 40 30 HDEBLP