smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccsc1S(=O)(=O)[N-]c1nc(C2CC2)cs1 ZINC000159560014 197362016 /nfs/dbraw/zinc/36/20/16/197362016.db2.gz QYHYOQLJIGMCOE-UHFFFAOYSA-N -1 0 316.429 2.891 20 70 DFIDRM CCOc1ccc(CNC(=O)NCCCCCC(=O)[O-])cc1 ZINC000217300777 268138379 /nfs/dbraw/zinc/13/83/79/268138379.db2.gz WDQDFMPKBIFOIM-UHFFFAOYSA-N -1 0 308.378 2.530 20 70 DFIDRM CCSCC[C@H](C)NC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000160579154 425988820 /nfs/dbraw/zinc/98/88/20/425988820.db2.gz JKEDIFFHOPBDJD-NSHDSACASA-N -1 0 310.419 2.716 20 70 DFIDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2nn(C(C)C)cc2C#N)c1 ZINC000160656259 425991575 /nfs/dbraw/zinc/99/15/75/425991575.db2.gz QCLGRIKIHJGDRV-UHFFFAOYSA-N -1 0 318.402 2.753 20 70 DFIDRM CCCCCNC(=O)[C@@H](C)O[N-]C(=O)C(C)(C)c1ccccc1 ZINC000160819492 425997867 /nfs/dbraw/zinc/99/78/67/425997867.db2.gz POUSNDHKRJSXRQ-CQSZACIVSA-N -1 0 320.433 2.707 20 70 DFIDRM 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O=C([O-])CCCNC(=O)NC(c1ccccc1)c1ccccc1 ZINC000217269672 597283812 /nfs/dbraw/zinc/28/38/12/597283812.db2.gz LEPGRPMYXGWJDJ-UHFFFAOYSA-N -1 0 312.369 2.940 20 70 DFIDRM CCSCC[C@@H](C)NC(=O)Nc1ccccc1CC(=O)[O-] ZINC000160547011 597342712 /nfs/dbraw/zinc/34/27/12/597342712.db2.gz JTHSEYKSQNIDNP-LLVKDONJSA-N -1 0 310.419 2.967 20 70 DFIDRM Cc1ccc(C(=O)Nc2nc(CCCC(=O)[O-])cs2)cn1 ZINC000159989507 601743625 /nfs/dbraw/zinc/74/36/25/601743625.db2.gz WEISJZDZPRYARW-UHFFFAOYSA-N -1 0 305.359 2.506 20 70 DFIDRM Cc1ccc(Br)c(C(=O)NCCCCC(=O)[O-])c1 ZINC000161166585 601990023 /nfs/dbraw/zinc/99/00/23/601990023.db2.gz ZIJGQUNKNABHCU-UHFFFAOYSA-N -1 0 314.179 2.742 20 70 DFIDRM CCc1nc(NC(=O)c2c(C)[nH]c(C(=O)[O-])c2C)sc1C ZINC000161203038 604287372 /nfs/dbraw/zinc/28/73/72/604287372.db2.gz CNIAFGQCVGGWCU-UHFFFAOYSA-N -1 0 307.375 2.909 20 70 DFIDRM CCSCC[C@@H](C)NC(=O)N(CC(=O)[O-])C1CCCC1 ZINC000160518221 398969787 /nfs/dbraw/zinc/96/97/87/398969787.db2.gz UJGVUPBNCGYJRJ-LLVKDONJSA-N -1 0 302.440 2.557 20 70 DFIDRM CSCC[C@@H](C)N(C)C(=O)c1cc(F)c(F)cc1C(=O)[O-] ZINC000161161208 398975684 /nfs/dbraw/zinc/97/56/84/398975684.db2.gz WDFVHNSKRQJTMD-MRVPVSSYSA-N -1 0 317.357 2.877 20 70 DFIDRM CC(C)CON=C([O-])Nc1nnc(Cc2cccc(F)c2)s1 ZINC000160151173 197390133 /nfs/dbraw/zinc/39/01/33/197390133.db2.gz BGHAIRQXTSRWRV-UHFFFAOYSA-N -1 0 324.381 2.977 20 70 DFIDRM CC[C@@H](C)Oc1ccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000159918458 197373688 /nfs/dbraw/zinc/37/36/88/197373688.db2.gz MSFKJDVEPSYCSG-IUODEOHRSA-N -1 0 305.374 2.943 20 70 DFIDRM CC[C@@H](c1ccncc1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000159393087 197350742 /nfs/dbraw/zinc/35/07/42/197350742.db2.gz CQKAGNAICZTUEW-AWEZNQCLSA-N -1 0 315.329 2.919 20 70 DFIDRM Cc1ccc2c(c1)[C@@H](NC(=O)c1c([O-])cc(F)cc1F)CO2 ZINC000160127458 542721069 /nfs/dbraw/zinc/72/10/69/542721069.db2.gz IARJNWBSOKKPMI-LBPRGKRZSA-N -1 0 305.280 2.842 20 70 DFIDRM CC(C)(C)c1ccc(S(=O)(=O)[N-]C(=O)C2(C)CC2)s1 ZINC000160503488 267539909 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