smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[C@@H](C)Oc1ccc(O[P@@](=O)([O-])O)cc1 ZINC001234331310 778209407 /nfs/dbraw/zinc/20/94/07/778209407.db2.gz DYRKKZSNNVQPJV-SECBINFHSA-N -1 2 260.226 2.726 20 0 CFADLM CCC[C@@H](C)Oc1ccc(O[P@](=O)([O-])O)cc1 ZINC001234331310 778209410 /nfs/dbraw/zinc/20/94/10/778209410.db2.gz DYRKKZSNNVQPJV-SECBINFHSA-N -1 2 260.226 2.726 20 0 CFADLM CC[C@H](C)[C@@H](C)Oc1ccc(O[P@@](=O)([O-])O)cc1 ZINC001234333473 778210270 /nfs/dbraw/zinc/21/02/70/778210270.db2.gz WLMNYASLFXHSFE-VHSXEESVSA-N -1 2 274.253 2.972 20 0 CFADLM CC[C@H](C)[C@@H](C)Oc1ccc(O[P@](=O)([O-])O)cc1 ZINC001234333473 778210273 /nfs/dbraw/zinc/21/02/73/778210273.db2.gz WLMNYASLFXHSFE-VHSXEESVSA-N -1 2 274.253 2.972 20 0 CFADLM C[C@H](Oc1ccc(O[P@@](=O)([O-])O)cc1)c1ccccn1 ZINC001234333232 778210512 /nfs/dbraw/zinc/21/05/12/778210512.db2.gz WAPGOXGKNHZKIF-JTQLQIEISA-N -1 2 295.231 2.693 20 0 CFADLM C[C@H](Oc1ccc(O[P@](=O)([O-])O)cc1)c1ccccn1 ZINC001234333232 778210517 /nfs/dbraw/zinc/21/05/17/778210517.db2.gz WAPGOXGKNHZKIF-JTQLQIEISA-N -1 2 295.231 2.693 20 0 CFADLM COc1cc(-c2ccc([P@@](=O)([O-])O)cc2)cc(C)c1F ZINC001236205116 778733666 /nfs/dbraw/zinc/73/36/66/778733666.db2.gz ARXBRVYEEXEFBL-UHFFFAOYSA-N -1 2 296.234 2.613 20 0 CFADLM COc1cc(-c2ccc([P@](=O)([O-])O)cc2)cc(C)c1F ZINC001236205116 778733670 /nfs/dbraw/zinc/73/36/70/778733670.db2.gz ARXBRVYEEXEFBL-UHFFFAOYSA-N -1 2 296.234 2.613 20 0 CFADLM O=[P@@]([O-])(O)c1ccc(-c2cnc3ccccc3c2)cc1 ZINC001239794376 779777418 /nfs/dbraw/zinc/77/74/18/779777418.db2.gz CQBCHLKEYBYNKO-UHFFFAOYSA-N -1 2 285.239 2.705 20 0 CFADLM O=[P@]([O-])(O)c1ccc(-c2cnc3ccccc3c2)cc1 ZINC001239794376 779777422 /nfs/dbraw/zinc/77/74/22/779777422.db2.gz CQBCHLKEYBYNKO-UHFFFAOYSA-N -1 2 285.239 2.705 20 0 CFADLM O=[P@@]([O-])(O)c1ccc(-c2c3cc[nH]c3ccc2F)cc1 ZINC001240227381 780013949 /nfs/dbraw/zinc/01/39/49/780013949.db2.gz YQNWEXUTYLYXTK-UHFFFAOYSA-N -1 2 291.218 2.777 20 0 CFADLM O=[P@]([O-])(O)c1ccc(-c2c3cc[nH]c3ccc2F)cc1 ZINC001240227381 780013956 /nfs/dbraw/zinc/01/39/56/780013956.db2.gz YQNWEXUTYLYXTK-UHFFFAOYSA-N -1 2 291.218 2.777 20 0 CFADLM CC[C@H](C)CONC(=O)Nc1c(C)cc[nH+]c1C ZINC000296910779 200032789 /nfs/dbraw/zinc/03/27/89/200032789.db2.gz FDHXDAYOPQXZDF-VIFPVBQESA-N -1 2 251.330 2.798 20 0 CFADLM Cc1cccn2cc(C[S@](=O)c3cccc(O)c3)[nH+]c12 ZINC000184079437 381368368 /nfs/dbraw/zinc/36/83/68/381368368.db2.gz QSDRHXICNGQRPY-FQEVSTJZSA-N -1 2 286.356 2.656 20 0 CFADLM CC1(C)C[C@H]1C(=O)Nc1nc(-c2c(F)cccc2F)n[nH]1 ZINC000337616822 382848403 /nfs/dbraw/zinc/84/84/03/382848403.db2.gz FASRGBZFCBTEBO-ZETCQYMHSA-N -1 2 292.289 2.735 20 0 CFADLM CC(C)[C@@H]1CCC2=NN(CC[NH+]3CCCCC3)C(=O)[C@H]2C1 ZINC000634592580 383253555 /nfs/dbraw/zinc/25/35/55/383253555.db2.gz OAPQAHMNXHHIQZ-CABCVRRESA-N -1 2 291.439 2.743 20 0 CFADLM CCCc1nc(=NC(=O)c2ccc(Cl)cc2O)s[n-]1 ZINC000436709390 383876044 /nfs/dbraw/zinc/87/60/44/383876044.db2.gz MXGWSPMPXQZHLT-UHFFFAOYSA-N -1 2 297.767 2.524 20 0 CFADLM CCCc1cc(=O)[nH]c(SCc2n[nH]c(C(C)C)n2)n1 ZINC000291809357 394264533 /nfs/dbraw/zinc/26/45/33/394264533.db2.gz YLGZABKYHIUVIE-UHFFFAOYSA-N -1 2 293.396 2.669 20 0 CFADLM Cc1cc(Cl)cc(NC(=O)CCc2c[nH]c[nH+]2)c1O ZINC000189395985 543068815 /nfs/dbraw/zinc/06/88/15/543068815.db2.gz MHBIAGQYHKYBRM-UHFFFAOYSA-N -1 2 279.727 2.648 20 0 CFADLM Cc1cccc(C(=O)[O-])c1NS(=O)(=O)c1cccs1 ZINC000021954146 171340871 /nfs/dbraw/zinc/34/08/71/171340871.db2.gz WTPFXEHIEYGDCJ-UHFFFAOYSA-N -1 2 297.357 2.556 20 0 CFADLM c1cc(-c2nn[nH]n2)oc1CNc1cccc2cc[nH+]cc21 ZINC000823757567 623392091 /nfs/dbraw/zinc/39/20/91/623392091.db2.gz RRWAXJTXWPIQMQ-UHFFFAOYSA-N -1 2 292.302 2.620 20 0 CFADLM c1cc(-c2nn[nH]n2)oc1CNc1cccc2ccncc21 ZINC000823757567 623392096 /nfs/dbraw/zinc/39/20/96/623392096.db2.gz RRWAXJTXWPIQMQ-UHFFFAOYSA-N -1 2 292.302 2.620 20 0 CFADLM O=[P@@]([O-])(O)Oc1ccc(O[C@H]2C=CCCC2)cc1 ZINC001234333193 778209021 /nfs/dbraw/zinc/20/90/21/778209021.db2.gz VKTHBGAZTNMYMH-JTQLQIEISA-N -1 2 270.221 2.646 20 0 CFADLM O=[P@]([O-])(O)Oc1ccc(O[C@H]2C=CCCC2)cc1 ZINC001234333193 778209028 /nfs/dbraw/zinc/20/90/28/778209028.db2.gz VKTHBGAZTNMYMH-JTQLQIEISA-N -1 2 270.221 2.646 20 0 CFADLM O=[P@@]([O-])(O)Oc1ccc(O[C@@H]2CCC(F)(F)C2)cc1 ZINC001234336800 778210314 /nfs/dbraw/zinc/21/03/14/778210314.db2.gz ULHXCFMAXCPYEP-SNVBAGLBSA-N -1 2 294.190 2.725 20 0 CFADLM O=[P@]([O-])(O)Oc1ccc(O[C@@H]2CCC(F)(F)C2)cc1 ZINC001234336800 778210320 /nfs/dbraw/zinc/21/03/20/778210320.db2.gz ULHXCFMAXCPYEP-SNVBAGLBSA-N -1 2 294.190 2.725 20 0 CFADLM O=c1ccc(CNc2cc([S-])cc(S)c2)c[nH]1 ZINC001168305057 778418783 /nfs/dbraw/zinc/41/87/83/778418783.db2.gz SZQILJDENZIIJE-UHFFFAOYSA-N -1 2 264.375 2.977 20 0 CFADLM C[C@H]1C[N@H+](Cc2cc(F)c(O)c(Cl)c2)CCC[C@@H]1O ZINC001237983730 779221434 /nfs/dbraw/zinc/22/14/34/779221434.db2.gz JYTCDBBQAAHTPK-ZANVPECISA-N -1 2 287.762 2.778 20 0 CFADLM C[C@]1(O)CCC[N@H+](Cc2cc(F)c(O)c(Cl)c2)CC1 ZINC001237983021 779221910 /nfs/dbraw/zinc/22/19/10/779221910.db2.gz CCYDIUROMVYYQM-AWEZNQCLSA-N -1 2 287.762 2.922 20 0 CFADLM Cc1cc(-c2ccc([P@@](=O)([O-])O)cc2)ccc1F ZINC001241282258 780755026 /nfs/dbraw/zinc/75/50/26/780755026.db2.gz LODRWDXHDLIVSV-UHFFFAOYSA-N -1 2 266.208 2.604 20 0 CFADLM Cc1cc(-c2ccc([P@](=O)([O-])O)cc2)ccc1F ZINC001241282258 780755032 /nfs/dbraw/zinc/75/50/32/780755032.db2.gz LODRWDXHDLIVSV-UHFFFAOYSA-N -1 2 266.208 2.604 20 0 CFADLM CC(C)SCC(=O)Nc1nc(-c2ccccc2F)n[nH]1 ZINC000609477059 351503617 /nfs/dbraw/zinc/50/36/17/351503617.db2.gz GGDMVJQTXTUINZ-UHFFFAOYSA-N -1 2 294.355 2.691 20 0 CFADLM COc1cccc2c1C[N@H+](Cc1nc(C)ccc1O)C2 ZINC000628462550 354595331 /nfs/dbraw/zinc/59/53/31/354595331.db2.gz YPMPIRRGTGXLFF-UHFFFAOYSA-N -1 2 270.332 2.620 20 0 CFADLM Cc1ccc(C(=O)Nc2nc(-c3ccccc3F)n[nH]2)cn1 ZINC000102824044 375694066 /nfs/dbraw/zinc/69/40/66/375694066.db2.gz SJXWZSDLLOVCGU-UHFFFAOYSA-N -1 2 297.293 2.567 20 0 CFADLM Cc1cc(NC(=O)c2cc(-c3ccco3)[nH]n2)cc[nH+]1 ZINC000127952810 377310013 /nfs/dbraw/zinc/31/00/13/377310013.db2.gz CDDRGWSWOKRWKV-UHFFFAOYSA-N -1 2 268.276 2.625 20 0 CFADLM Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](C3N=NC(=O)O3)C2)c1 ZINC000334623627 379647068 /nfs/dbraw/zinc/64/70/68/379647068.db2.gz LFQMZQXVAMXWQA-LLVKDONJSA-N -1 2 291.326 2.602 20 0 CFADLM Oc1cc(F)cc(C[N@@H+]2CCOC[C@H]2C2CCC2)c1 ZINC000575748412 382797753 /nfs/dbraw/zinc/79/77/53/382797753.db2.gz KPKHHGRYWFXLRK-HNNXBMFYSA-N -1 2 265.328 2.532 20 0 CFADLM COC(C)(C)C[N@H+](C)Cc1c(F)ccc(O)c1F ZINC000556810148 395016743 /nfs/dbraw/zinc/01/67/43/395016743.db2.gz MOJYEYBZBMXBQT-UHFFFAOYSA-N -1 2 259.296 2.527 20 0 CFADLM CCCC[C@@H](Sc1n[nH]c(C(C)(C)C)n1)C(=O)[O-] ZINC000713471903 599709484 /nfs/dbraw/zinc/70/94/84/599709484.db2.gz OGSIJEFJXGHEEC-MRVPVSSYSA-N -1 2 271.386 2.838 20 0 CFADLM Cc1cc(C)nc(C[NH2+]C(C)(C)c2nc(C)cc(=O)[nH]2)c1 ZINC000930659675 649300036 /nfs/dbraw/zinc/30/00/36/649300036.db2.gz SLCQHHJNIFIQIU-UHFFFAOYSA-N -1 2 286.379 2.527 20 0 CFADLM C[C@H](Oc1ccc(O[P@@](=O)([O-])O)cc1)c1ccncc1 ZINC001234333132 778208667 /nfs/dbraw/zinc/20/86/67/778208667.db2.gz SUXJDZTZCIKCQE-JTQLQIEISA-N -1 2 295.231 2.693 20 0 CFADLM C[C@H](Oc1ccc(O[P@](=O)([O-])O)cc1)c1ccncc1 ZINC001234333132 778208670 /nfs/dbraw/zinc/20/86/70/778208670.db2.gz SUXJDZTZCIKCQE-JTQLQIEISA-N -1 2 295.231 2.693 20 0 CFADLM CC[C@@H](Oc1ccc(O[P@@](=O)([O-])O)cc1)C(C)C ZINC001234337021 778210859 /nfs/dbraw/zinc/21/08/59/778210859.db2.gz WCMZQQGQSCJOPR-GFCCVEGCSA-N -1 2 274.253 2.972 20 0 CFADLM CC[C@@H](Oc1ccc(O[P@](=O)([O-])O)cc1)C(C)C ZINC001234337021 778210865 /nfs/dbraw/zinc/21/08/65/778210865.db2.gz WCMZQQGQSCJOPR-GFCCVEGCSA-N -1 2 274.253 2.972 20 0 CFADLM CC[C@H](C)[C@H](C)Oc1ccc(O[P@@](=O)([O-])O)cc1 ZINC001234333472 778210963 /nfs/dbraw/zinc/21/09/63/778210963.db2.gz WLMNYASLFXHSFE-UWVGGRQHSA-N -1 2 274.253 2.972 20 0 CFADLM CC[C@H](C)[C@H](C)Oc1ccc(O[P@](=O)([O-])O)cc1 ZINC001234333472 778210965 /nfs/dbraw/zinc/21/09/65/778210965.db2.gz WLMNYASLFXHSFE-UWVGGRQHSA-N -1 2 274.253 2.972 20 0 CFADLM C[N@H+](CC1OC=CC1=S)C1CN(C(=O)OC(C)(C)C)C1 ZINC001237189535 779043737 /nfs/dbraw/zinc/04/37/37/779043737.db2.gz DLXCWTCFTYVREF-UHFFFAOYSA-N -1 2 298.408 2.619 20 0 CFADLM COc1ncc(-c2cc([S-])cc(S)c2)cc1N ZINC001239644650 779686574 /nfs/dbraw/zinc/68/65/74/779686574.db2.gz LZDWRQQXHRVECQ-UHFFFAOYSA-N -1 2 264.375 2.917 20 0 CFADLM Cc1csc([C@H](C)[NH2+]Cc2cc(=O)[nH]c(C3CC3)n2)n1 ZINC000459400394 245165152 /nfs/dbraw/zinc/16/51/52/245165152.db2.gz HJQXHEPYYQNYTR-VIFPVBQESA-N -1 2 290.392 2.675 20 0 CFADLM COC[C@H]1CC[N@@H+]1Cc1cc(O)cc(C(F)(F)F)c1 ZINC000354060052 381053260 /nfs/dbraw/zinc/05/32/60/381053260.db2.gz ZWGFBMJKBJFZJV-LLVKDONJSA-N -1 2 275.270 2.632 20 0 CFADLM O=C(Nc1nc(-c2c(F)cccc2F)n[nH]1)C1CC=CC1 ZINC000377940143 382372835 /nfs/dbraw/zinc/37/28/35/382372835.db2.gz FLEYVMTZIQBGSJ-UHFFFAOYSA-N -1 2 290.273 2.655 20 0 CFADLM CCCC[N@@H+](C)C[C@H](C)N=c1nc(C(C)(C)C)[nH]s1 ZINC000576378474 382820758 /nfs/dbraw/zinc/82/07/58/382820758.db2.gz JOYVOKFOUCQVCC-NSHDSACASA-N -1 2 284.473 2.790 20 0 CFADLM CC(C)[C@@H]1CCC2=NN(CC[NH+]3CCCCC3)C(=O)[C@@H]2C1 ZINC000634592582 383253464 /nfs/dbraw/zinc/25/34/64/383253464.db2.gz OAPQAHMNXHHIQZ-HUUCEWRRSA-N -1 2 291.439 2.743 20 0 CFADLM CC[C@H](C)n1[nH]c2c(c1=O)C[N@H+](Cc1ccccc1)CC2 ZINC000634623690 383283008 /nfs/dbraw/zinc/28/30/08/383283008.db2.gz MPCHKPAPAVXLRC-ZFWWWQNUSA-N -1 2 285.391 2.505 20 0 CFADLM COCCn1cc(-c2cc([S-])cc(S)c2)cn1 ZINC001240631086 781985779 /nfs/dbraw/zinc/98/57/79/781985779.db2.gz AFHVYALGMUNPDS-UHFFFAOYSA-N -1 2 266.391 2.774 20 0 CFADLM CCCOc1ccccc1-c1ccc([P@@](=O)([O-])O)cc1 ZINC001243129138 782002700 /nfs/dbraw/zinc/00/27/00/782002700.db2.gz VHGBOORHCLISNA-UHFFFAOYSA-N -1 2 292.271 2.945 20 0 CFADLM CCCOc1ccccc1-c1ccc([P@](=O)([O-])O)cc1 ZINC001243129138 782002710 /nfs/dbraw/zinc/00/27/10/782002710.db2.gz VHGBOORHCLISNA-UHFFFAOYSA-N -1 2 292.271 2.945 20 0 CFADLM Cc1cc(C)cc(CCNC(=O)c2cccc3[nH]nnc32)c1 ZINC000188121068 324009194 /nfs/dbraw/zinc/00/91/94/324009194.db2.gz BKWSWAXQTVHJST-UHFFFAOYSA-N -1 2 294.358 2.547 20 0 CFADLM CC(C)C[C@H]1COCC[N@@H+]1Cc1ccc(O)c(F)c1 ZINC000892021376 617915968 /nfs/dbraw/zinc/91/59/68/617915968.db2.gz FUIRYMQRIRKLTM-ZDUSSCGKSA-N -1 2 267.344 2.778 20 0 CFADLM C[C@@H](CC(=O)[O-])C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000911155874 622509701 /nfs/dbraw/zinc/50/97/01/622509701.db2.gz VLUJWSCMRYFZNE-YFKPBYRVSA-N -1 2 292.118 2.748 20 0 CFADLM C[C@@H]([NH2+]Cc1nccs1)c1cc(O)cc(F)c1 ZINC000924730371 648033934 /nfs/dbraw/zinc/03/39/34/648033934.db2.gz QZVYZSVIZKVBJP-MRVPVSSYSA-N -1 2 252.314 2.839 20 0 CFADLM O=[P@@]([O-])(O)Oc1ccc(O[C@@H]2C=CCCC2)cc1 ZINC001234333194 778210888 /nfs/dbraw/zinc/21/08/88/778210888.db2.gz VKTHBGAZTNMYMH-SNVBAGLBSA-N -1 2 270.221 2.646 20 0 CFADLM O=[P@]([O-])(O)Oc1ccc(O[C@@H]2C=CCCC2)cc1 ZINC001234333194 778210895 /nfs/dbraw/zinc/21/08/95/778210895.db2.gz VKTHBGAZTNMYMH-SNVBAGLBSA-N -1 2 270.221 2.646 20 0 CFADLM C[N@H+](Cc1cc(O)cc(F)c1)Cc1cccc2c1OCO2 ZINC001237288335 779069787 /nfs/dbraw/zinc/06/97/87/779069787.db2.gz WCQPEJSFVLVPGT-UHFFFAOYSA-N -1 2 289.306 2.892 20 0 CFADLM Cc1cc(-c2ccc(C)c(-c3nn[nH]n3)c2)cc(C)[nH+]1 ZINC001241995948 781223278 /nfs/dbraw/zinc/22/32/78/781223278.db2.gz NTSAJSRDBOYIFT-UHFFFAOYSA-N -1 2 265.320 2.854 20 0 CFADLM CO[C@@H](C)c1cccc(-c2ccc([P@@](=O)([O-])O)cc2)c1 ZINC001242040948 781244079 /nfs/dbraw/zinc/24/40/79/781244079.db2.gz PQOXVPLNTAMJGW-NSHDSACASA-N -1 2 292.271 2.864 20 0 CFADLM CO[C@@H](C)c1cccc(-c2ccc([P@](=O)([O-])O)cc2)c1 ZINC001242040948 781244081 /nfs/dbraw/zinc/24/40/81/781244081.db2.gz PQOXVPLNTAMJGW-NSHDSACASA-N -1 2 292.271 2.864 20 0 CFADLM O=[P@@]([O-])(O)c1ccc(-c2ccc3cccnc3c2)cc1 ZINC001242252705 781345061 /nfs/dbraw/zinc/34/50/61/781345061.db2.gz GJHREZGIUGCOBF-UHFFFAOYSA-N -1 2 285.239 2.705 20 0 CFADLM O=[P@]([O-])(O)c1ccc(-c2ccc3cccnc3c2)cc1 ZINC001242252705 781345063 /nfs/dbraw/zinc/34/50/63/781345063.db2.gz GJHREZGIUGCOBF-UHFFFAOYSA-N -1 2 285.239 2.705 20 0 CFADLM COc1ccc(NC(=O)c2ccc3[nH]nnc3c2)c(C)c1 ZINC000171421158 348076699 /nfs/dbraw/zinc/07/66/99/348076699.db2.gz HZFPVVIIVGIICO-UHFFFAOYSA-N -1 2 282.303 2.527 20 0 CFADLM CCc1cc(=O)[nH]c(C[N@@H+](C)[C@H](CC)c2ccncc2)n1 ZINC000162525098 378916180 /nfs/dbraw/zinc/91/61/80/378916180.db2.gz KIWTZJLSFNUGRS-CQSZACIVSA-N -1 2 286.379 2.723 20 0 CFADLM Cc1ccc(F)c(C[N@@H+]2CCC[C@H](C3N=NC(=O)O3)C2)c1 ZINC000334623629 379647822 /nfs/dbraw/zinc/64/78/22/379647822.db2.gz LFQMZQXVAMXWQA-NSHDSACASA-N -1 2 291.326 2.602 20 0 CFADLM COc1cccc2c1CC[N@@H+]([C@H](C)c1nc(C)cc(=O)[nH]1)C2 ZINC000192775504 382712168 /nfs/dbraw/zinc/71/21/68/382712168.db2.gz YLWOUFNLOZNOIC-GFCCVEGCSA-N -1 2 299.374 2.619 20 0 CFADLM C[N@H+](Cc1n[nH]c(=O)[nH]1)[C@H]1CCCC[C@H]1c1ccccc1 ZINC000574049133 384037061 /nfs/dbraw/zinc/03/70/61/384037061.db2.gz XHDFPRGZVALTSJ-KBPBESRZSA-N -1 2 286.379 2.669 20 0 CFADLM C[C@H](O)[C@@H]([NH2+]Cc1cc(O)cc(F)c1)c1ccccc1F ZINC000519657221 394374287 /nfs/dbraw/zinc/37/42/87/394374287.db2.gz UQWCPTHVKVUZSU-MGPLVRAMSA-N -1 2 293.313 2.882 20 0 CFADLM CC[C@H](C)CS(=O)(=O)[N-][C@@H](C(C)C)C(F)(F)F ZINC000345614777 154220066 /nfs/dbraw/zinc/22/00/66/154220066.db2.gz UCUJBJQLQDRVIV-IUCAKERBSA-N -1 2 275.336 2.539 20 0 CFADLM Cc1cccc(S(=O)(=O)Nc2ccc(C(=O)[O-])s2)c1 ZINC000035426805 172194924 /nfs/dbraw/zinc/19/49/24/172194924.db2.gz WSTKOECFXPGHLA-UHFFFAOYSA-N -1 2 297.357 2.556 20 0 CFADLM CSc1ncc(-c2ccc([P@@](=O)([O-])O)cc2)cc1C ZINC001243160153 782023411 /nfs/dbraw/zinc/02/34/11/782023411.db2.gz RGHQXEQOIHBCSH-UHFFFAOYSA-N -1 2 295.300 2.582 20 0 CFADLM CSc1ncc(-c2ccc([P@](=O)([O-])O)cc2)cc1C ZINC001243160153 782023417 /nfs/dbraw/zinc/02/34/17/782023417.db2.gz RGHQXEQOIHBCSH-UHFFFAOYSA-N -1 2 295.300 2.582 20 0 CFADLM COc1cc[nH+]cc1NC(=O)c1cc(-c2ccc(C)o2)[nH]n1 ZINC000194835836 270247851 /nfs/dbraw/zinc/24/78/51/270247851.db2.gz QARGBNOTFQBFTB-UHFFFAOYSA-N -1 2 298.302 2.634 20 0 CFADLM CC1CCC(C)(CNC(=O)c2cccc3[nH]nnc32)CC1 ZINC000527266019 281327702 /nfs/dbraw/zinc/32/77/02/281327702.db2.gz KBQZXTCOGPFLKS-UHFFFAOYSA-N -1 2 286.379 2.904 20 0 CFADLM CCC(CC)CNc1[nH+]c2c(cc1-c1nn[nH]n1)CCC2 ZINC000736345611 574363912 /nfs/dbraw/zinc/36/39/12/574363912.db2.gz JQBUKXJKPLBMIU-UHFFFAOYSA-N -1 2 286.383 2.599 20 0 CFADLM CC(C)[C@H](C)Oc1ccc(O[P@@](=O)([O-])O)cc1 ZINC001234333151 778209512 /nfs/dbraw/zinc/20/95/12/778209512.db2.gz SYSWBQJEEBNDSC-VIFPVBQESA-N -1 2 260.226 2.581 20 0 CFADLM CC(C)[C@H](C)Oc1ccc(O[P@](=O)([O-])O)cc1 ZINC001234333151 778209518 /nfs/dbraw/zinc/20/95/18/778209518.db2.gz SYSWBQJEEBNDSC-VIFPVBQESA-N -1 2 260.226 2.581 20 0 CFADLM CC[C@@H](C)[C@@H](C)Oc1ccc(O[P@@](=O)([O-])O)cc1 ZINC001234333470 778210710 /nfs/dbraw/zinc/21/07/10/778210710.db2.gz WLMNYASLFXHSFE-NXEZZACHSA-N -1 2 274.253 2.972 20 0 CFADLM CC[C@@H](C)[C@@H](C)Oc1ccc(O[P@](=O)([O-])O)cc1 ZINC001234333470 778210718 /nfs/dbraw/zinc/21/07/18/778210718.db2.gz WLMNYASLFXHSFE-NXEZZACHSA-N -1 2 274.253 2.972 20 0 CFADLM O=[P@@]([O-])(O)c1ccc(-c2ccc3ccncc3c2)cc1 ZINC001241677265 781066858 /nfs/dbraw/zinc/06/68/58/781066858.db2.gz DYIACQZMZPOJHY-UHFFFAOYSA-N -1 2 285.239 2.705 20 0 CFADLM O=[P@]([O-])(O)c1ccc(-c2ccc3ccncc3c2)cc1 ZINC001241677265 781066863 /nfs/dbraw/zinc/06/68/63/781066863.db2.gz DYIACQZMZPOJHY-UHFFFAOYSA-N -1 2 285.239 2.705 20 0 CFADLM Cc1cn2c(cccc2-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)[nH+]1 ZINC001242161200 781308598 /nfs/dbraw/zinc/30/85/98/781308598.db2.gz QJPTWHLXDRWVCH-UHFFFAOYSA-N -1 2 296.282 2.706 20 0 CFADLM O=[P@@]([O-])(O)c1ccc(-c2cccc(OC3CC3)c2)cc1 ZINC001242805569 781769918 /nfs/dbraw/zinc/76/99/18/781769918.db2.gz LNTWINNBMSOTQE-UHFFFAOYSA-N -1 2 290.255 2.698 20 0 CFADLM O=[P@]([O-])(O)c1ccc(-c2cccc(OC3CC3)c2)cc1 ZINC001242805569 781769926 /nfs/dbraw/zinc/76/99/26/781769926.db2.gz LNTWINNBMSOTQE-UHFFFAOYSA-N -1 2 290.255 2.698 20 0 CFADLM C[C@H]1CCC[N@@H+]1Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000072874364 539623846 /nfs/dbraw/zinc/62/38/46/539623846.db2.gz ZFQVJDPKJZOJKV-JTQLQIEISA-N -1 2 283.331 2.654 20 0 CFADLM CC[C@@H](NC(=O)c1cccc2[nH]nnc21)[C@H]1CC1(C)C ZINC000668029651 541370682 /nfs/dbraw/zinc/37/06/82/541370682.db2.gz FCJAAIJJIQKOKF-GHMZBOCLSA-N -1 2 272.352 2.512 20 0 CFADLM CCC[C@H](C)CC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-] ZINC000262959187 283807268 /nfs/dbraw/zinc/80/72/68/283807268.db2.gz LWEBAQUYCBJOJM-ZJQBRPOHSA-N -1 2 267.369 2.524 20 0 CFADLM O=C(NCc1cc2ccccc2o1)c1cccc2[nH]nnc21 ZINC000183412748 381270050 /nfs/dbraw/zinc/27/00/50/381270050.db2.gz PVNKLIZOJTUDKH-UHFFFAOYSA-N -1 2 292.298 2.634 20 0 CFADLM CC[C@H](Cc1ccccc1)NC(=O)c1cccc2[nH]nnc21 ZINC000187733717 324001822 /nfs/dbraw/zinc/00/18/22/324001822.db2.gz PKYQEQKMOBMMPE-CYBMUJFWSA-N -1 2 294.358 2.709 20 0 CFADLM Cc1ccc(S(=O)(=O)Nc2sccc2C(=O)[O-])cc1 ZINC000106794454 605022325 /nfs/dbraw/zinc/02/23/25/605022325.db2.gz MHBWQTDPFAPOOY-UHFFFAOYSA-N -1 2 297.357 2.556 20 0 CFADLM [NH3+][C@@H](CC1CC1)C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000302676000 647413485 /nfs/dbraw/zinc/41/34/85/647413485.db2.gz NLVHKPPOTOVXQH-JTQLQIEISA-N -1 2 289.162 2.765 20 0 CFADLM Cc1nc2c(c(=O)[nH]1)C[N@H+](Cc1cccc(OC(C)C)c1)C2 ZINC000931319986 649408305 /nfs/dbraw/zinc/40/83/05/649408305.db2.gz AQCFPGBVQGZXBU-UHFFFAOYSA-N -1 2 299.374 2.794 20 0 CFADLM COc1ccc(C[N@@H+]2CCC[C@@H](C(C)=O)C2)c(Cl)c1O ZINC001233401345 777938941 /nfs/dbraw/zinc/93/89/41/777938941.db2.gz WINREQSIIJELSQ-LLVKDONJSA-N -1 2 297.782 2.855 20 0 CFADLM C[C@H]1CCC[C@H]1Oc1ccc(O[P@@](=O)([O-])O)cc1 ZINC001234341562 778211451 /nfs/dbraw/zinc/21/14/51/778211451.db2.gz ZOKOTRCKEQSAGO-JOYOIKCWSA-N -1 2 272.237 2.726 20 0 CFADLM C[C@H]1CCC[C@H]1Oc1ccc(O[P@](=O)([O-])O)cc1 ZINC001234341562 778211454 /nfs/dbraw/zinc/21/14/54/778211454.db2.gz ZOKOTRCKEQSAGO-JOYOIKCWSA-N -1 2 272.237 2.726 20 0 CFADLM CC[C@@H](C)C[C@H](C)Nc1ccc([P@@](=O)([O-])O)cc1 ZINC001168694984 780351828 /nfs/dbraw/zinc/35/18/28/780351828.db2.gz SGWLVNVOJZMAKF-MNOVXSKESA-N -1 2 271.297 2.726 20 0 CFADLM CC[C@@H](C)C[C@H](C)Nc1ccc([P@](=O)([O-])O)cc1 ZINC001168694984 780351836 /nfs/dbraw/zinc/35/18/36/780351836.db2.gz SGWLVNVOJZMAKF-MNOVXSKESA-N -1 2 271.297 2.726 20 0 CFADLM CCOc1ccc(-c2ccc([P@@](=O)([O-])O)cc2)c(C)c1 ZINC001241273672 780748627 /nfs/dbraw/zinc/74/86/27/780748627.db2.gz YSZNWZYRDSWAAD-UHFFFAOYSA-N -1 2 292.271 2.864 20 0 CFADLM CCOc1ccc(-c2ccc([P@](=O)([O-])O)cc2)c(C)c1 ZINC001241273672 780748631 /nfs/dbraw/zinc/74/86/31/780748631.db2.gz YSZNWZYRDSWAAD-UHFFFAOYSA-N -1 2 292.271 2.864 20 0 CFADLM Cc1c(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)ccc2[nH+]ccn21 ZINC001242163747 781310759 /nfs/dbraw/zinc/31/07/59/781310759.db2.gz JHNOIJPDIIIVHZ-UHFFFAOYSA-N -1 2 296.282 2.706 20 0 CFADLM C[C@H]1OCC[N@H+](Cc2cc(O)ccc2Cl)[C@@H]1C ZINC000625222159 353999228 /nfs/dbraw/zinc/99/92/28/353999228.db2.gz JWAZZZHSWOVVSW-NXEZZACHSA-N -1 2 255.745 2.655 20 0 CFADLM C[C@@H]1C[C@@H](Nc2nc(C3CCCC3)ns2)CC[N@@H+]1C ZINC000420598971 382419458 /nfs/dbraw/zinc/41/94/58/382419458.db2.gz KJIQWQNXVGOGAT-PWSUYJOCSA-N -1 2 280.441 2.512 20 0 CFADLM C[C@H]1C[C@@H](Nc2nc(C3CCCC3)ns2)CC[N@@H+]1C ZINC000420598970 382419511 /nfs/dbraw/zinc/41/95/11/382419511.db2.gz KJIQWQNXVGOGAT-JQWIXIFHSA-N -1 2 280.441 2.512 20 0 CFADLM Cc1cc(=O)[nH]c([C@@H](C)[N@H+]2CCC[C@H](C(F)(F)F)C2)n1 ZINC000192524911 382709739 /nfs/dbraw/zinc/70/97/39/382709739.db2.gz DJSULBREXYLNEB-ZJUUUORDSA-N -1 2 289.301 2.826 20 0 CFADLM Cc1cc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H]2Cc2ccccc2)on1 ZINC000531472326 383874031 /nfs/dbraw/zinc/87/40/31/383874031.db2.gz QAOQYGVRCSCMLM-HIFRSBDPSA-N -1 2 299.374 2.627 20 0 CFADLM O=C([O-])C1(CN=c2[nH]c(C(F)(F)F)cs2)CCCC1 ZINC000649401820 395486352 /nfs/dbraw/zinc/48/63/52/395486352.db2.gz GFKZFOAXQKGPIO-UHFFFAOYSA-N -1 2 294.298 2.641 20 0 CFADLM CC(C)CC(C)(C)CNC(=O)N=c1ncn(C(C)(C)C)[n-]1 ZINC000345614505 154220129 /nfs/dbraw/zinc/22/01/29/154220129.db2.gz UEMPVIBUIFJJKV-UHFFFAOYSA-N -1 2 295.431 2.649 20 0 CFADLM CC(C)CC1(CNC(=O)c2cccc3[nH]nnc32)CC1 ZINC000163660424 322378077 /nfs/dbraw/zinc/37/80/77/322378077.db2.gz JTBYASSMDHNZHX-UHFFFAOYSA-N -1 2 272.352 2.514 20 0 CFADLM CC[C@H]1CCC[C@@H](NC(=O)c2cccc3[nH]nnc32)C1 ZINC000188120547 324008752 /nfs/dbraw/zinc/00/87/52/324008752.db2.gz IHCABNMKIMCXBP-WDEREUQCSA-N -1 2 272.352 2.657 20 0 CFADLM Oc1ccc(C[N@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)cc1F ZINC000894649675 619435794 /nfs/dbraw/zinc/43/57/94/619435794.db2.gz PUWZHWPSWITFPD-CVEARBPZSA-N -1 2 277.339 2.675 20 0 CFADLM C[C@@H](Oc1ccc(O[P@@](=O)([O-])O)cc1)c1ccccn1 ZINC001234333233 778210223 /nfs/dbraw/zinc/21/02/23/778210223.db2.gz WAPGOXGKNHZKIF-SNVBAGLBSA-N -1 2 295.231 2.693 20 0 CFADLM C[C@@H](Oc1ccc(O[P@](=O)([O-])O)cc1)c1ccccn1 ZINC001234333233 778210229 /nfs/dbraw/zinc/21/02/29/778210229.db2.gz WAPGOXGKNHZKIF-SNVBAGLBSA-N -1 2 295.231 2.693 20 0 CFADLM Cc1cc(F)ccc1-c1ccc([P@@](=O)([O-])O)cc1 ZINC001239740514 780130954 /nfs/dbraw/zinc/13/09/54/780130954.db2.gz BSCMNUVXWWKFDV-UHFFFAOYSA-N -1 2 266.208 2.604 20 0 CFADLM Cc1cc(F)ccc1-c1ccc([P@](=O)([O-])O)cc1 ZINC001239740514 780130957 /nfs/dbraw/zinc/13/09/57/780130957.db2.gz BSCMNUVXWWKFDV-UHFFFAOYSA-N -1 2 266.208 2.604 20 0 CFADLM CC[C@H](C)C[C@H](C)Nc1ccc([P@@](=O)([O-])O)cc1 ZINC001168694985 780352511 /nfs/dbraw/zinc/35/25/11/780352511.db2.gz SGWLVNVOJZMAKF-QWRGUYRKSA-N -1 2 271.297 2.726 20 0 CFADLM CC[C@H](C)C[C@H](C)Nc1ccc([P@](=O)([O-])O)cc1 ZINC001168694985 780352519 /nfs/dbraw/zinc/35/25/19/780352519.db2.gz SGWLVNVOJZMAKF-QWRGUYRKSA-N -1 2 271.297 2.726 20 0 CFADLM CCCOc1cccc(-c2ccc([P@@](=O)([O-])O)cc2)c1 ZINC001241593074 781003632 /nfs/dbraw/zinc/00/36/32/781003632.db2.gz DZADFHQLXPYIAC-UHFFFAOYSA-N -1 2 292.271 2.945 20 0 CFADLM CCCOc1cccc(-c2ccc([P@](=O)([O-])O)cc2)c1 ZINC001241593074 781003638 /nfs/dbraw/zinc/00/36/38/781003638.db2.gz DZADFHQLXPYIAC-UHFFFAOYSA-N -1 2 292.271 2.945 20 0 CFADLM O=[P@@]([O-])(O)c1ccc(-c2ccc3ccccc3n2)cc1 ZINC001242776824 781756520 /nfs/dbraw/zinc/75/65/20/781756520.db2.gz PZJSFBHIVVVVQK-UHFFFAOYSA-N -1 2 285.239 2.705 20 0 CFADLM O=[P@]([O-])(O)c1ccc(-c2ccc3ccccc3n2)cc1 ZINC001242776824 781756521 /nfs/dbraw/zinc/75/65/21/781756521.db2.gz PZJSFBHIVVVVQK-UHFFFAOYSA-N -1 2 285.239 2.705 20 0 CFADLM Cc1ccc(O)c(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000124912337 187160729 /nfs/dbraw/zinc/16/07/29/187160729.db2.gz QTTUWPYAJGBCAH-DZGCQCFKSA-N -1 2 299.374 2.620 20 0 CFADLM CCc1cc(=O)[nH]c(C[N@@H+]2CCc3ccccc3[C@H]2C)n1 ZINC000120353233 376600018 /nfs/dbraw/zinc/60/00/18/376600018.db2.gz HUIQYWWHZKXPHE-GFCCVEGCSA-N -1 2 283.375 2.864 20 0 CFADLM Oc1cccc(C[N@H+]2CCCO[C@@H](CF)C2)c1Cl ZINC000335638756 379641674 /nfs/dbraw/zinc/64/16/74/379641674.db2.gz KSOFGWFSTFPARY-NSHDSACASA-N -1 2 273.735 2.606 20 0 CFADLM CCc1ccc(CNC(=O)c2cccc3[nH]nnc32)s1 ZINC000182718300 381145751 /nfs/dbraw/zinc/14/57/51/381145751.db2.gz GSBCEDXFOGCJAL-UHFFFAOYSA-N -1 2 286.360 2.512 20 0 CFADLM O=C1N=NC(C[N@H+]2CC=C(c3ccccc3)CC2)S1 ZINC000377001727 382202422 /nfs/dbraw/zinc/20/24/22/382202422.db2.gz QWISZLQYDSAUNT-UHFFFAOYSA-N -1 2 273.361 2.533 20 0 CFADLM Cc1cc(F)ccc1C[N@@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000550954865 383032483 /nfs/dbraw/zinc/03/24/83/383032483.db2.gz JLHJPKNTKFTHCP-LBPRGKRZSA-N -1 2 291.326 2.602 20 0 CFADLM C[C@H](C1CC1)n1[nH]c2c(c1=O)C[N@H+](Cc1ccccc1)CC2 ZINC000634597189 383258061 /nfs/dbraw/zinc/25/80/61/383258061.db2.gz DCUWQCJPTTXFHH-CJNGLKHVSA-N -1 2 297.402 2.505 20 0 CFADLM C[C@@H](C1CC1)n1[nH]c2c(c1=O)C[N@H+](Cc1ccccc1)CC2 ZINC000634597188 383258232 /nfs/dbraw/zinc/25/82/32/383258232.db2.gz DCUWQCJPTTXFHH-BBRMVZONSA-N -1 2 297.402 2.505 20 0 CFADLM Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])s2)cc1 ZINC000035426801 172194282 /nfs/dbraw/zinc/19/42/82/172194282.db2.gz JXGSKGZMAPXUJE-UHFFFAOYSA-N -1 2 297.357 2.556 20 0 CFADLM CC(C)c1cc(-c2ccc([P@@](=O)([O-])O)cc2)ccc1O ZINC001243258905 782099640 /nfs/dbraw/zinc/09/96/40/782099640.db2.gz DNHJYLWYMJASPI-UHFFFAOYSA-N -1 2 292.271 2.986 20 0 CFADLM CC(C)c1cc(-c2ccc([P@](=O)([O-])O)cc2)ccc1O ZINC001243258905 782099648 /nfs/dbraw/zinc/09/96/48/782099648.db2.gz 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779878833 /nfs/dbraw/zinc/87/88/33/779878833.db2.gz PARPAYRHEXGFPA-UHFFFAOYSA-N -1 2 285.239 2.705 20 0 CFADLM O=[P@@]([O-])(O)c1ccc(-c2cccc3ccncc32)cc1 ZINC001242370182 781441967 /nfs/dbraw/zinc/44/19/67/781441967.db2.gz KRLFMZBQUAALTK-UHFFFAOYSA-N -1 2 285.239 2.705 20 0 CFADLM O=[P@]([O-])(O)c1ccc(-c2cccc3ccncc32)cc1 ZINC001242370182 781441971 /nfs/dbraw/zinc/44/19/71/781441971.db2.gz KRLFMZBQUAALTK-UHFFFAOYSA-N -1 2 285.239 2.705 20 0 CFADLM C=C(c1ccccc1)c1ccc([P@](=O)([O-])O)cc1 ZINC001242892095 781825168 /nfs/dbraw/zinc/82/51/68/781825168.db2.gz GOWDNZXDDSBZHA-UHFFFAOYSA-N -1 2 260.229 2.551 20 0 CFADLM C=C(c1ccccc1)c1ccc([P@@](=O)([O-])O)cc1 ZINC001242892095 781825178 /nfs/dbraw/zinc/82/51/78/781825178.db2.gz GOWDNZXDDSBZHA-UHFFFAOYSA-N -1 2 260.229 2.551 20 0 CFADLM CC[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1nc(C)ccc1O ZINC000593698379 349312352 /nfs/dbraw/zinc/31/23/52/349312352.db2.gz SYRSLKUMSKIRKZ-ZDUSSCGKSA-N -1 2 294.395 2.648 20 0 CFADLM 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ZINC000352310296 382270300 /nfs/dbraw/zinc/27/03/00/382270300.db2.gz INDVICXXVRLFFV-UHFFFAOYSA-N -1 2 265.259 2.666 20 0 CFADLM C(Nc1nc(C2CC2)ns1)[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000528117200 394393310 /nfs/dbraw/zinc/39/33/10/394393310.db2.gz KWKNFNXQQXVRIV-CYBMUJFWSA-N -1 2 292.452 2.656 20 0 CFADLM O=C(NCc1ccc(C2CC2)cc1)c1cccc2[nH]nnc21 ZINC000191308545 397611118 /nfs/dbraw/zinc/61/11/18/397611118.db2.gz WVLCYKZDBUWQAQ-UHFFFAOYSA-N -1 2 292.342 2.765 20 0 CFADLM CC(C)[C@@H]([N-]S(=O)(=O)CCC(C)(C)C)C(F)(F)F ZINC000345614664 154219872 /nfs/dbraw/zinc/21/98/72/154219872.db2.gz SNSWOPTZEBRFAS-SECBINFHSA-N -1 2 289.363 2.929 20 0 CFADLM CCc1cc(=O)[nH]c(C[N@@H+]2CCC=C(c3ccco3)C2)n1 ZINC000285315182 196248921 /nfs/dbraw/zinc/24/89/21/196248921.db2.gz MKYSJPDSGZZIBM-UHFFFAOYSA-N -1 2 285.347 2.627 20 0 CFADLM CC(C)(CCNc1nc(-c2ccccc2)ns1)C(=O)[O-] ZINC000424371349 281227710 /nfs/dbraw/zinc/22/77/10/281227710.db2.gz FWCHABQPVYKLFV-UHFFFAOYSA-N -1 2 291.376 2.540 20 0 CFADLM 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CC[C@@H](C)C[C@@H](C)Nc1ccc([P@](=O)([O-])O)cc1 ZINC001168694975 780352538 /nfs/dbraw/zinc/35/25/38/780352538.db2.gz SGWLVNVOJZMAKF-GHMZBOCLSA-N -1 2 271.297 2.726 20 0 CFADLM CCOc1ccc(F)cc1-c1ccc([P@@](=O)([O-])O)cc1 ZINC001241105390 780638113 /nfs/dbraw/zinc/63/81/13/780638113.db2.gz PPVPKIAXDYBWFY-UHFFFAOYSA-N -1 2 296.234 2.694 20 0 CFADLM CCOc1ccc(F)cc1-c1ccc([P@](=O)([O-])O)cc1 ZINC001241105390 780638118 /nfs/dbraw/zinc/63/81/18/780638118.db2.gz PPVPKIAXDYBWFY-UHFFFAOYSA-N -1 2 296.234 2.694 20 0 CFADLM CCOc1cccc(F)c1-c1ccc([P@@](=O)([O-])O)cc1 ZINC001241253484 780736286 /nfs/dbraw/zinc/73/62/86/780736286.db2.gz GIPHNFJVOXFSJR-UHFFFAOYSA-N -1 2 296.234 2.694 20 0 CFADLM CCOc1cccc(F)c1-c1ccc([P@](=O)([O-])O)cc1 ZINC001241253484 780736291 /nfs/dbraw/zinc/73/62/91/780736291.db2.gz GIPHNFJVOXFSJR-UHFFFAOYSA-N -1 2 296.234 2.694 20 0 CFADLM O=[P@@]([O-])(O)c1ccc(-c2ccccc2OC2CC2)cc1 ZINC001242795125 781762555 /nfs/dbraw/zinc/76/25/55/781762555.db2.gz PTOMYPQMXNARMU-UHFFFAOYSA-N -1 2 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CC(C)C[C@H](CNC(=O)c1cccc(Cl)c1O)C(=O)[O-] ZINC000833477230 605252519 /nfs/dbraw/zinc/25/25/19/605252519.db2.gz AJWKOAMKKXEAFR-SECBINFHSA-N -1 2 299.754 2.522 20 0 CFADLM Oc1c(F)ccc(C[N@@H+]2CCC[C@@]3(CCOC3)C2)c1F ZINC001232934396 777723024 /nfs/dbraw/zinc/72/30/24/777723024.db2.gz RZDHPLAQWMHFKS-OAHLLOKOSA-N -1 2 283.318 2.673 20 0 CFADLM O=[P@@]([O-])(O)Oc1ccc(O[C@@H]2CCCC[C@@H]2F)cc1 ZINC001234331087 778208871 /nfs/dbraw/zinc/20/88/71/778208871.db2.gz BZUMDQGMORBFLH-NWDGAFQWSA-N -1 2 290.227 2.818 20 0 CFADLM O=[P@]([O-])(O)Oc1ccc(O[C@@H]2CCCC[C@@H]2F)cc1 ZINC001234331087 778208874 /nfs/dbraw/zinc/20/88/74/778208874.db2.gz BZUMDQGMORBFLH-NWDGAFQWSA-N -1 2 290.227 2.818 20 0 CFADLM C[C@@H](Oc1ccc(O[P@@](=O)([O-])O)cc1)C1CCC1 ZINC001234338490 778210973 /nfs/dbraw/zinc/21/09/73/778210973.db2.gz LJLSPZMQAXLCNA-SECBINFHSA-N -1 2 272.237 2.726 20 0 CFADLM C[C@@H](Oc1ccc(O[P@](=O)([O-])O)cc1)C1CCC1 ZINC001234338490 778210974 /nfs/dbraw/zinc/21/09/74/778210974.db2.gz 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O=[P@]([O-])(O)Oc1ccc(O[C@@H]2C[C@H]3CC[C@@H]2C3)cc1 ZINC001234333202 778210139 /nfs/dbraw/zinc/21/01/39/778210139.db2.gz VOORIRZXISWACZ-OPQQBVKSSA-N -1 2 284.248 2.726 20 0 CFADLM C[C@H]1CC[C@H](Oc2ccc(O[P@@](=O)([O-])O)cc2)C1 ZINC001234333539 778210955 /nfs/dbraw/zinc/21/09/55/778210955.db2.gz WZJBYESSUSHJQP-CABZTGNLSA-N -1 2 272.237 2.726 20 0 CFADLM C[C@H]1CC[C@H](Oc2ccc(O[P@](=O)([O-])O)cc2)C1 ZINC001234333539 778210957 /nfs/dbraw/zinc/21/09/57/778210957.db2.gz WZJBYESSUSHJQP-CABZTGNLSA-N -1 2 272.237 2.726 20 0 CFADLM CC1(C)C[N@H+](Cc2ccc(F)c(O)c2F)[C@](C)(CO)C1 ZINC001232932437 778996386 /nfs/dbraw/zinc/99/63/86/778996386.db2.gz YSROQYNZKXISJF-HNNXBMFYSA-N -1 2 285.334 2.653 20 0 CFADLM CC(C)Oc1ccc(-c2ccc([P@@](=O)([O-])O)cc2)cc1 ZINC001239960913 779885521 /nfs/dbraw/zinc/88/55/21/779885521.db2.gz BXWRRANHANQLNN-UHFFFAOYSA-N -1 2 292.271 2.944 20 0 CFADLM CC(C)Oc1ccc(-c2ccc([P@](=O)([O-])O)cc2)cc1 ZINC001239960913 779885526 /nfs/dbraw/zinc/88/55/26/779885526.db2.gz 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CCC(CC)CC(=O)Nc1n[nH]c(C(F)(F)F)n1 ZINC000123704946 376969559 /nfs/dbraw/zinc/96/95/59/376969559.db2.gz OVXNEAAQTDUMSF-UHFFFAOYSA-N -1 2 264.251 2.588 20 0 CFADLM CCc1cc(=O)[nH]c(C[N@@H+](C)[C@@H](CC)c2ccncc2)n1 ZINC000162524995 378915632 /nfs/dbraw/zinc/91/56/32/378915632.db2.gz KIWTZJLSFNUGRS-AWEZNQCLSA-N -1 2 286.379 2.723 20 0 CFADLM Cc1cc(NC(=O)c2ccc3[nH]nnc3c2)ccc1F ZINC000171320546 379283591 /nfs/dbraw/zinc/28/35/91/379283591.db2.gz IUIVIAMSNNZMHC-UHFFFAOYSA-N -1 2 270.267 2.658 20 0 CFADLM C[C@H](Cc1ccccc1Cl)C(=O)Nc1cc[nH+]cc1O ZINC000338970487 383104599 /nfs/dbraw/zinc/10/45/99/383104599.db2.gz VPJFBMCDBDPTBM-SNVBAGLBSA-N -1 2 290.750 2.680 20 0 CFADLM CCCCC1=NN(c2cccc(C(=O)[O-])c2)C(=O)[C@@H]1C ZINC000634598729 383260415 /nfs/dbraw/zinc/26/04/15/383260415.db2.gz QULFHBFKOUSMEJ-SNVBAGLBSA-N -1 2 274.320 2.914 20 0 CFADLM C[NH+](C)C1(CN=c2nc(C(C)(C)C)[nH]s2)CCCCC1 ZINC000489063622 383593997 /nfs/dbraw/zinc/59/39/97/383593997.db2.gz XNXMAHCRMKOXJV-UHFFFAOYSA-N -1 2 296.484 2.934 20 0 CFADLM CCC(CC)(CN=c1[nH]c(C(F)(F)F)cs1)C(=O)[O-] ZINC000424379892 393841963 /nfs/dbraw/zinc/84/19/63/393841963.db2.gz WBMKVRPMIGEUOK-UHFFFAOYSA-N -1 2 296.314 2.887 20 0 CFADLM O=C([O-])CCCCCNc1nc(-c2ccccc2)ns1 ZINC000416425258 393918357 /nfs/dbraw/zinc/91/83/57/393918357.db2.gz HSLOARAKHQKKCU-UHFFFAOYSA-N -1 2 291.376 2.684 20 0 CFADLM O=C1N=NC([C@@H]2CCC[N@H+](Cc3cc4ccccc4o3)C2)O1 ZINC000515127071 270362610 /nfs/dbraw/zinc/36/26/10/270362610.db2.gz VSFUDMMAJCVDAU-GFCCVEGCSA-N -1 2 299.330 2.901 20 0 CFADLM O=C([O-])CCN(C(=O)/C=C\C1CC1)c1cccc(F)c1 ZINC000833231913 600975263 /nfs/dbraw/zinc/97/52/63/600975263.db2.gz FQWPVXSJUWKTEM-SREVYHEPSA-N -1 2 277.295 2.600 20 0 CFADLM Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC000832956057 602117825 /nfs/dbraw/zinc/11/78/25/602117825.db2.gz YNOGTFDVDWBYMD-UHFFFAOYSA-N -1 2 297.357 2.556 20 0 CFADLM Cc1ccn2cc(C[N@H+](C)Cc3nc(C)ccc3O)nc2c1 ZINC001231676574 777306634 /nfs/dbraw/zinc/30/66/34/777306634.db2.gz HSRQTVQJFYEQCU-UHFFFAOYSA-N -1 2 296.374 2.684 20 0 CFADLM O=[P@@]([O-])(O)Oc1ccc(O[C@H]2CCC(F)(F)C2)cc1 ZINC001234336796 778210208 /nfs/dbraw/zinc/21/02/08/778210208.db2.gz ULHXCFMAXCPYEP-JTQLQIEISA-N -1 2 294.190 2.725 20 0 CFADLM O=[P@]([O-])(O)Oc1ccc(O[C@H]2CCC(F)(F)C2)cc1 ZINC001234336796 778210211 /nfs/dbraw/zinc/21/02/11/778210211.db2.gz ULHXCFMAXCPYEP-JTQLQIEISA-N -1 2 294.190 2.725 20 0 CFADLM O=c1[nH]c(Cl)c(C[N@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)s1 ZINC001237159071 779031693 /nfs/dbraw/zinc/03/16/93/779031693.db2.gz VDAVEDMMGNPAMI-KNVOCYPGSA-N -1 2 294.754 2.979 20 0 CFADLM C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1cc(Cl)c(O)cc1F ZINC001238146374 779261745 /nfs/dbraw/zinc/26/17/45/779261745.db2.gz KDKTXHPENKKQBS-VHSXEESVSA-N -1 2 286.778 2.709 20 0 CFADLM Cc1ccc(-c2ccc([P@@](=O)([O-])O)cc2)c(F)c1 ZINC001241356629 780805286 /nfs/dbraw/zinc/80/52/86/780805286.db2.gz XGNJRZAIOMGKCI-UHFFFAOYSA-N -1 2 266.208 2.604 20 0 CFADLM Cc1ccc(-c2ccc([P@](=O)([O-])O)cc2)c(F)c1 ZINC001241356629 780805296 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CCOc1ccccc1N(C)C(=O)c1ccc2[nH]nnc2c1 ZINC000127594669 394053324 /nfs/dbraw/zinc/05/33/24/394053324.db2.gz OPZDYLHQZTWHSL-UHFFFAOYSA-N -1 2 296.330 2.633 20 0 CFADLM CC[C@@H](C)CS(=O)(=O)[N-][C@@H](C(C)C)C(F)(F)F ZINC000345614773 154219810 /nfs/dbraw/zinc/21/98/10/154219810.db2.gz UCUJBJQLQDRVIV-BDAKNGLRSA-N -1 2 275.336 2.539 20 0 CFADLM CC(C)C[C@H](CN=c1[nH]nc(C(C)C)s1)CC(=O)[O-] ZINC000652535827 414005860 /nfs/dbraw/zinc/00/58/60/414005860.db2.gz YLRGJUSMAGNYHZ-JTQLQIEISA-N -1 2 285.413 2.632 20 0 CFADLM CSc1cccc(C[N@@H+]2Cc3nc(C)[nH]c(=O)c3C2)c1 ZINC000931311302 649405124 /nfs/dbraw/zinc/40/51/24/649405124.db2.gz HHOAZHWXZARQHY-UHFFFAOYSA-N -1 2 287.388 2.728 20 0 CFADLM C[N@H+](CCc1cccnc1)Cc1ccc(F)c(O)c1F ZINC001232934583 777723667 /nfs/dbraw/zinc/72/36/67/777723667.db2.gz IIALAKOOUYJQRL-UHFFFAOYSA-N -1 2 278.302 2.740 20 0 CFADLM C[C@@H]1CC[C@@H](Oc2ccc(O[P@@](=O)([O-])O)cc2)C1 ZINC001234333538 778210386 /nfs/dbraw/zinc/21/03/86/778210386.db2.gz WZJBYESSUSHJQP-BXKDBHETSA-N -1 2 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