smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826331177 608454326 /nfs/dbraw/zinc/45/43/26/608454326.db2.gz XWBPDORNSLTRGO-UHFFFAOYSA-N 2 2 397.443 0.155 20 50 GCGDLP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826331177 608454327 /nfs/dbraw/zinc/45/43/27/608454327.db2.gz XWBPDORNSLTRGO-UHFFFAOYSA-N 2 2 397.443 0.155 20 50 GCGDLP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826331142 608454040 /nfs/dbraw/zinc/45/40/40/608454040.db2.gz WQHZMGJIPSGLKW-UHFFFAOYSA-N 2 2 397.443 0.155 20 50 GCGDLP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826331142 608454041 /nfs/dbraw/zinc/45/40/41/608454041.db2.gz WQHZMGJIPSGLKW-UHFFFAOYSA-N 2 2 397.443 0.155 20 50 GCGDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NNc3cccc(-c4nn[nH]n4)c3)C2)CC1 ZINC000736853712 944899779 /nfs/dbraw/zinc/89/97/79/944899779.db2.gz ZTTMCSOSJBBUQQ-HNNXBMFYSA-N 2 2 385.476 0.661 20 50 GCGDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NNc3cccc(-c4nn[nH]n4)c3)C2)CC1 ZINC000736853712 944899782 /nfs/dbraw/zinc/89/97/82/944899782.db2.gz ZTTMCSOSJBBUQQ-HNNXBMFYSA-N 2 2 385.476 0.661 20 50 GCGDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NNc3cccc(-c4nn[nH]n4)c3)C2)CC1 ZINC000736853715 944900203 /nfs/dbraw/zinc/90/02/03/944900203.db2.gz ZTTMCSOSJBBUQQ-OAHLLOKOSA-N 2 2 385.476 0.661 20 50 GCGDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NNc3cccc(-c4nn[nH]n4)c3)C2)CC1 ZINC000736853715 944900214 /nfs/dbraw/zinc/90/02/14/944900214.db2.gz ZTTMCSOSJBBUQQ-OAHLLOKOSA-N 2 2 385.476 0.661 20 50 GCGDLP