smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@@H]([NH2+][C@H](C)c1ccc(N2CC[NH+](C)CC2)c(F)c1)C(N)=O ZINC000095958785 407217236 /nfs/dbraw/zinc/21/72/36/407217236.db2.gz IERHUOQCERLECI-IUODEOHRSA-N 2 1 322.428 1.492 50 10 DDCAMP Cc1cccc(C[NH+]2CCC3(CC2)C[N@H+](C)CCN3C)c1O ZINC000067783918 407284504 /nfs/dbraw/zinc/28/45/04/407284504.db2.gz QMUUHKVZPXZTGO-UHFFFAOYSA-N 2 1 303.450 1.912 50 10 DDCAMP CC[C@H]([NH2+][C@H](C)c1ccc(N2CC[NH+](C)CC2)c(F)c1)C(N)=O ZINC000095958784 407216930 /nfs/dbraw/zinc/21/69/30/407216930.db2.gz IERHUOQCERLECI-DOMZBBRYSA-N 2 1 322.428 1.492 50 10 DDCAMP CC[C@H]([NH2+][C@@H](C)c1ccc(N2CC[NH+](C)CC2)c(F)c1)C(N)=O ZINC000095958782 407216802 /nfs/dbraw/zinc/21/68/02/407216802.db2.gz IERHUOQCERLECI-WFASDCNBSA-N 2 1 322.428 1.492 50 10 DDCAMP C[N@H+]1CC[C@H](C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000078552708 407032907 /nfs/dbraw/zinc/03/29/07/407032907.db2.gz CQJYVTUCFBAZPT-OAHLLOKOSA-N 2 1 307.413 1.704 50 10 DDCAMP CC[C@@H]([NH2+][C@@H](C)c1ccc(N2CC[NH+](C)CC2)c(F)c1)C(N)=O ZINC000095958783 407216810 /nfs/dbraw/zinc/21/68/10/407216810.db2.gz IERHUOQCERLECI-SWLSCSKDSA-N 2 1 322.428 1.492 50 10 DDCAMP C[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000078552714 407033124 /nfs/dbraw/zinc/03/31/24/407033124.db2.gz CQJYVTUCFBAZPT-HNNXBMFYSA-N 2 1 307.413 1.704 50 10 DDCAMP