smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N@H+]1CCCN(C(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)CC1 ZINC000159918584 206269690 /nfs/dbraw/zinc/26/96/90/206269690.db2.gz UMELNFOMRNTATQ-CQSZACIVSA-N 1 1 348.451 0.653 20 70 ECIDMO Cc1ccc(NC(=O)C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000159926440 206270477 /nfs/dbraw/zinc/27/04/77/206270477.db2.gz YMHKAGLONJQZEH-OKILXGFUSA-N 1 1 334.420 0.944 20 70 ECIDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)Nc2ccc(C)nc2)CC1 ZINC000161228969 206336472 /nfs/dbraw/zinc/33/64/72/206336472.db2.gz NQRSHIQMJKJZMY-CQSZACIVSA-N 1 1 347.463 0.718 20 70 ECIDMO CS(=O)(=O)Nc1ccc(NC(=O)N2CC[NH+](CCO)CC2)cc1 ZINC000217282704 165087032 /nfs/dbraw/zinc/08/70/32/165087032.db2.gz KZARVAKKGXUQGN-UHFFFAOYSA-N 1 1 342.421 0.200 20 70 ECIDMO CC[C@H](NC(=O)CCNC(N)=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000159648672 436861406 /nfs/dbraw/zinc/86/14/06/436861406.db2.gz 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