smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]1CN(Cc2ccc(F)c(F)c2[O-])c2ccccc2O1 ZINC001308666559 933153881 /nfs/dbraw/zinc/15/38/81/933153881.db2.gz SCGNZTHRRRFRBF-JTQLQIEISA-N -1 0 291.297 3.458 20 10 CGCDRM CCC(C)(C)OC1CN(Cc2cccc(Cl)c2[O-])C1 ZINC001560934395 938285138 /nfs/dbraw/zinc/28/51/38/938285138.db2.gz PPHQWELMVMSCBW-UHFFFAOYSA-N -1 0 283.799 3.435 20 10 CGCDRM Cc1oc(C(=O)[O-])cc1COc1cccc(F)c1 ZINC000051360993 957503289 /nfs/dbraw/zinc/50/32/89/957503289.db2.gz ANXSIKDTTXEWQA-UHFFFAOYSA-N -1 0 250.225 3.004 20 10 CGCDRM COc1ccc(N(C)Cc2cc(C(=O)[O-])sc2C)cc1 ZINC000122754548 958486762 /nfs/dbraw/zinc/48/67/62/958486762.db2.gz QNLIIYPGHJGPCO-UHFFFAOYSA-N -1 0 291.372 3.400 20 10 CGCDRM C[C@H]([NH2+]Cc1cccc(C(=O)[O-])c1)c1ccc(F)cc1[O-] ZINC001589131115 963351112 /nfs/dbraw/zinc/35/11/12/963351112.db2.gz AYQWBXIWPYZIHF-JTQLQIEISA-N -1 0 289.306 3.080 20 10 CGCDRM CC[C@H]([NH2+]CCCCC(=O)[O-])c1cccc(Cl)c1[O-] ZINC001603585603 973751720 /nfs/dbraw/zinc/75/17/20/973751720.db2.gz JEXASRWKENLRQX-LBPRGKRZSA-N -1 0 285.771 3.341 20 10 CGCDRM COc1ccc(N(C)Cc2c[nH]c(C(=O)[O-])c2)cc1Cl ZINC001599583808 993585964 /nfs/dbraw/zinc/58/59/64/993585964.db2.gz BYJJJZFNDLDGNE-UHFFFAOYSA-N -1 0 294.738 3.011 20 10 CGCDRM C[C@H]1CC/C(=C\C(=O)NCc2cccc(Cl)c2O)C1 ZINC000890760710 617816867 /nfs/dbraw/zinc/81/68/67/617816867.db2.gz XFYLMOPKSNFEJW-NGPGYTDTSA-N -1 0 279.767 3.408 20 10 CGCDRM CC(C)CNC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000804859512 618067082 /nfs/dbraw/zinc/06/70/82/618067082.db2.gz GPZLBQYEYLWHMD-UHFFFAOYSA-N -1 0 291.178 3.154 20 10 CGCDRM [O-]c1c(Cl)cccc1CN1CC(F)(F)C(F)(F)C1 ZINC000313322178 619168477 /nfs/dbraw/zinc/16/84/77/619168477.db2.gz QEFXNTORONAAGU-UHFFFAOYSA-N -1 0 283.652 3.132 20 10 CGCDRM [O-]c1cc(F)c(Cl)cc1CN1CC[C@@H]1C(F)F ZINC000895432416 619825645 /nfs/dbraw/zinc/82/56/45/619825645.db2.gz ZNUUCNKIHVEMGV-SECBINFHSA-N -1 0 265.662 3.024 20 10 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