smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCc1nc2n(n1)C[C@@H](NC(=O)c1cc(F)cc(Cl)c1O)CC2 ZINC000160396503 524878242 /nfs/dbraw/zinc/87/82/42/524878242.db2.gz WLMYXCGIHNSLAV-VIFPVBQESA-N 0 2 354.769 1.667 20 70 FDIDLN O=C(NCC(F)(F)F)c1cccc(S(=O)(=O)Nc2nncs2)c1 ZINC000160564137 524916078 /nfs/dbraw/zinc/91/60/78/524916078.db2.gz OTUGMUUZVUZTHV-UHFFFAOYSA-N 0 2 366.346 1.631 20 70 FDIDLN CC(=O)Nc1cc(F)c(S(=O)(=O)NCC(C)(C)O)c(F)c1Cl ZINC000161004942 525015721 /nfs/dbraw/zinc/01/57/21/525015721.db2.gz POILZMYWTBYSHA-UHFFFAOYSA-N 0 2 356.778 1.626 20 70 FDIDLN CN(C)C(=O)c1cccc(S(=O)(=O)Nc2nnc(C(F)F)s2)c1 ZINC000160461508 173712084 /nfs/dbraw/zinc/71/20/84/173712084.db2.gz KMIKCBXDDMZYAF-UHFFFAOYSA-N 0 2 362.383 1.978 20 70 FDIDLN C[C@@H](C(=O)NC(=O)NCc1ccccc1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161389651 525099809 /nfs/dbraw/zinc/09/98/09/525099809.db2.gz LUOHGKBMEIIYKH-INIZCTEOSA-N 0 2 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