smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+](CC)CCNC(=O)C(=O)N[C@@H](C)[C@H](c1cccs1)[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000020289249 553634204 /nfs/dbraw/zinc/63/42/04/553634204.db2.gz BXUZNYRDMRSLJS-GBXCKJPGSA-N 2 1 501.697 2.583 50 10 KFCAMP CC[NH+](CC)CCNC(=O)C(=O)N[C@H](C)[C@H](c1cccs1)[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000020289252 553634342 /nfs/dbraw/zinc/63/43/42/553634342.db2.gz BXUZNYRDMRSLJS-HYBUGGRVSA-N 2 1 501.697 2.583 50 10 KFCAMP CC[NH+](CC)CCNC(=O)C(=O)N[C@@H](C)[C@@H](c1cccs1)[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000020289254 553634218 /nfs/dbraw/zinc/63/42/18/553634218.db2.gz BXUZNYRDMRSLJS-RDPSFJRHSA-N 2 1 501.697 2.583 50 10 KFCAMP CC[NH+](CC)CCNC(=O)C(=O)N[C@H](C)[C@@H](c1cccs1)[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000020289256 553634188 /nfs/dbraw/zinc/63/41/88/553634188.db2.gz BXUZNYRDMRSLJS-YKSBVNFPSA-N 2 1 501.697 2.583 50 10 KFCAMP CN1CCN(C(=O)CCCCCN2C(=O)/C(=C3/SC(=S)N(CCCCCC(=O)N4CC[NH+](C)CC4)C3=O)SC2=S)CC1 ZINC000150614150 571523250 /nfs/dbraw/zinc/52/32/50/571523250.db2.gz VIIAXLDGCHJQGA-VHXPQNKSSA-N 2 1 654.950 2.587 50 10 KFCAMP