smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1cncc(S(=O)(=O)[N-]c2ccc([O-])c(F)c2)c1 ZINC001174732376 913309850 /nfs/dbraw/zinc/30/98/50/913309850.db2.gz FUMCUKFGOLUMBB-UHFFFAOYSA-N -2 3 283.284 1.309 20 10 CDCDHL CC(=O)c1cc([O-])ccc1[N-]S(=O)(=O)c1cnn(C)c1 ZINC000758773114 577132320 /nfs/dbraw/zinc/13/23/20/577132320.db2.gz HOGOQRFPHNFWFD-UHFFFAOYSA-N -2 3 295.320 1.129 20 10 CDCDHL O=C([O-])c1cnc(NCc2c([O-])cccc2F)cn1 ZINC001602533686 1175276771 /nfs/dbraw/zinc/27/67/71/1175276771.db2.gz NBPSQWDMAYVFBF-UHFFFAOYSA-N -2 3 263.228 1.632 20 10 CDCDHL C[C@@H](CN(C(=O)c1cccc(O)c1[O-])C1CC1)C(=O)[O-] ZINC001604152230 1163108438 /nfs/dbraw/zinc/10/84/38/1163108438.db2.gz AVZPDMFPESTZSJ-QMMMGPOBSA-N -2 3 279.292 1.423 20 10 CDCDHL Cc1cc([O-])c(CN2CCC[C@H](O)[C@H]2C(=O)[O-])cc1Cl ZINC001607699146 1164275304 /nfs/dbraw/zinc/27/53/04/1164275304.db2.gz HKXDXZASFRMJJA-AAEUAGOBSA-N -2 3 299.754 1.764 20 10 CDCDHL Cn1ccc([C@@H](NCc2cc(Cl)ccc2[O-])C(=O)[O-])n1 ZINC001608127089 1164418394 /nfs/dbraw/zinc/41/83/94/1164418394.db2.gz SMRLHNUILMOWFP-GFCCVEGCSA-N -2 3 295.726 1.695 20 10 CDCDHL O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC000126041988 949261801 /nfs/dbraw/zinc/26/18/01/949261801.db2.gz USAFUMHNTZDMQT-APPZFPTMSA-N -2 3 265.265 1.081 20 10 CDCDHL CC[C@@H](C)N(CC(=O)[O-])C(=O)c1cccc(O)c1[O-] ZINC000126003371 958577745 /nfs/dbraw/zinc/57/77/45/958577745.db2.gz QKBBEZYXMSAMEP-MRVPVSSYSA-N -2 3 267.281 1.423 20 10 CDCDHL O=C([O-])CN(Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000238124790 361534707 /nfs/dbraw/zinc/53/47/07/361534707.db2.gz VTRRQWNFKAPJEH-LBPRGKRZSA-N -2 3 265.309 1.458 20 10 CDCDHL CC(=O)c1cc([O-])ccc1[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000766048037 576073807 /nfs/dbraw/zinc/07/38/07/576073807.db2.gz PIDUZMYMKJCTKT-NSHDSACASA-N -2 3 299.348 1.516 20 10 CDCDHL O=S(=O)(C[C@@H]1CCCO1)[N-]c1ccc([O-])c(F)c1F ZINC000830184971 681804570 /nfs/dbraw/zinc/80/45/70/681804570.db2.gz SWCSEJBJLZXBGX-ZETCQYMHSA-N -2 3 293.291 1.591 20 10 CDCDHL O=C([O-])[C@H]1CN(C(=O)c2cccc(O)c2[O-])c2ccccc21 ZINC000318764211 970469154 /nfs/dbraw/zinc/46/91/54/970469154.db2.gz LPVLIVDPXYRUCZ-NSHDSACASA-N -2 3 299.282 1.926 20 10 CDCDHL CC(=O)c1cc([O-])ccc1[N-]S(=O)(=O)c1ccnn1C ZINC000766047023 576073802 /nfs/dbraw/zinc/07/38/02/576073802.db2.gz BPHITCYFEKSRFY-UHFFFAOYSA-N -2 3 295.320 1.129 20 10 CDCDHL Cn1cnc(S(=O)(=O)[N-]c2ccc([O-])cc2F)c1 ZINC000085203917 685026367 /nfs/dbraw/zinc/02/63/67/685026367.db2.gz RYWKVLBHDYGRMV-UHFFFAOYSA-N -2 3 271.273 1.066 20 10 CDCDHL C[C@@H]1CN(Cc2cc(Cl)ccc2[O-])C[C@@H](C(=O)[O-])O1 ZINC001599866748 989276995 /nfs/dbraw/zinc/27/69/95/989276995.db2.gz PYKUSDQBLQLCAO-PELKAZGASA-N -2 3 285.727 1.720 20 10 CDCDHL Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccc([O-])c(F)c1 ZINC000085200906 1161233659 /nfs/dbraw/zinc/23/36/59/1161233659.db2.gz NTAULSIFHZBWGV-UHFFFAOYSA-N -2 3 285.300 1.672 20 10 CDCDHL O=C([O-])C[C@@H]1CN(Cc2cccc(F)c2[O-])CCO1 ZINC001601961557 1175087286 /nfs/dbraw/zinc/08/72/86/1175087286.db2.gz FVAJALFWNNYCBY-SNVBAGLBSA-N -2 3 269.272 1.207 20 10 CDCDHL CC(C)OC[C@H](C(=O)[O-])N(C)Cc1cccc(F)c1[O-] ZINC000833505744 605481554 /nfs/dbraw/zinc/48/15/54/605481554.db2.gz NAOBPQBXHBLITF-GFCCVEGCSA-N -2 3 285.315 1.841 20 10 CDCDHL O=C(Nc1ncccc1[O-])c1c([O-])c(O)ccc1F ZINC000790069852 692256277 /nfs/dbraw/zinc/25/62/77/692256277.db2.gz DSWUWHWZDPJORN-UHFFFAOYSA-N -2 3 264.212 1.590 20 10 CDCDHL CCn1cc(S(=O)(=O)[N-]c2ccc([O-])cc2F)nc1C ZINC000070333335 692946212 /nfs/dbraw/zinc/94/62/12/692946212.db2.gz YIFJYJQRAVRWKF-UHFFFAOYSA-N -2 3 299.327 1.857 20 10 CDCDHL Cc1ccc(C(=O)Nc2ccc(C(=O)[O-])nc2)c([O-])c1O ZINC001600344022 1174449691 /nfs/dbraw/zinc/44/96/91/1174449691.db2.gz PXABCNFGJVKLJC-UHFFFAOYSA-N -2 3 288.259 1.752 20 10 CDCDHL C[C@@H]1C[C@H](C(=O)NCc2c([O-])cccc2F)O[C@H]1C(=O)[O-] ZINC001607442795 1164182822 /nfs/dbraw/zinc/18/28/22/1164182822.db2.gz RFIIXKIGWDKJHL-NZXMKCKXSA-N -2 3 297.282 1.026 20 10 CDCDHL O=S(=O)([N-]c1ccc([O-])c(F)c1F)c1ccncc1 ZINC001190889922 922279872 /nfs/dbraw/zinc/27/98/72/922279872.db2.gz UEROSAISJRBCGZ-UHFFFAOYSA-N -2 3 286.259 1.866 20 10 CDCDHL O=C([O-])C1(CNC(=O)c2cccc(O)c2[O-])CCC1 ZINC000126075417 949260436 /nfs/dbraw/zinc/26/04/36/949260436.db2.gz KYCIFYKMHZEEOB-UHFFFAOYSA-N -2 3 265.265 1.083 20 10 CDCDHL Cc1noc(C)c1S(=O)(=O)[N-]c1ccc([O-])c(F)c1 ZINC000085200940 1161233266 /nfs/dbraw/zinc/23/32/66/1161233266.db2.gz XQHYEERTMTZISB-UHFFFAOYSA-N -2 3 286.284 1.937 20 10 CDCDHL CC(=O)c1cc([O-])ccc1[N-]S(=O)(=O)c1c[nH]cn1 ZINC000758775338 577132546 /nfs/dbraw/zinc/13/25/46/577132546.db2.gz WDODHZQKMXBUCT-UHFFFAOYSA-N -2 3 281.293 1.119 20 10 CDCDHL O=C([O-])CN(Cc1nc[nH]n1)Cc1cc(Cl)ccc1[O-] ZINC001602060341 1175122417 /nfs/dbraw/zinc/12/24/17/1175122417.db2.gz NOOVCGHNFJFLOU-UHFFFAOYSA-N -2 3 296.714 1.251 20 10 CDCDHL O=S(=O)([N-]c1cc(F)c([O-])cc1F)c1cn[nH]c1 ZINC001260961451 945927801 /nfs/dbraw/zinc/92/78/01/945927801.db2.gz ZOFFMOPQLYYQLI-UHFFFAOYSA-N -2 3 275.236 1.194 20 10 CDCDHL C[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])[C@@H]1C(=O)[O-] ZINC000235633061 949873771 /nfs/dbraw/zinc/87/37/71/949873771.db2.gz FCBFGYZZCZTYQX-KWQFWETISA-N -2 3 279.292 1.423 20 10 CDCDHL O=C([O-])c1ccc(C(=O)NCc2c([O-])cccc2F)o1 ZINC001608874596 1164669171 /nfs/dbraw/zinc/66/91/71/1164669171.db2.gz MELPJGQXORUZDL-UHFFFAOYSA-N -2 3 279.223 1.753 20 10 CDCDHL COCC1(S(=O)(=O)[N-]c2ccc([O-])c(F)c2F)CC1 ZINC000882737285 731019516 /nfs/dbraw/zinc/01/95/16/731019516.db2.gz GPCUFOYPSNLIFQ-UHFFFAOYSA-N -2 3 293.291 1.591 20 10 CDCDHL O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cccc(O)c1[O-] ZINC000230107854 731945883 /nfs/dbraw/zinc/94/58/83/731945883.db2.gz ZHNFNFUAOPHNPF-UHFFFAOYSA-N -2 3 290.231 1.964 20 10 CDCDHL CC(C)CN(CC(=O)[O-])C(=O)c1cccc(O)c1[O-] ZINC000126021781 958577019 /nfs/dbraw/zinc/57/70/19/958577019.db2.gz FOXSLNKTSFFSJZ-UHFFFAOYSA-N -2 3 267.281 1.281 20 10 CDCDHL O=C([O-])[C@H]1CC12CCN(C(=O)c1cccc(O)c1[O-])CC2 ZINC000405395822 973866852 /nfs/dbraw/zinc/86/68/52/973866852.db2.gz NENAPIQIRRWGOO-SNVBAGLBSA-N -2 3 291.303 1.425 20 10 CDCDHL Nc1c(NC(=O)c2cccc(O)c2[O-])cccc1C(=O)[O-] ZINC001610649442 1165396582 /nfs/dbraw/zinc/39/65/82/1165396582.db2.gz BVPKKTAXTNQASU-UHFFFAOYSA-N -2 3 288.259 1.631 20 10 CDCDHL Cc1cc([O-])c(CN2C[C@H](O)C[C@H]2C(=O)[O-])cc1Cl ZINC001607699216 1164275427 /nfs/dbraw/zinc/27/54/27/1164275427.db2.gz IEBOEZGJZHVLGZ-KOLCDFICSA-N -2 3 285.727 1.374 20 10 CDCDHL CC(C)[C@H](CNC(=O)NCc1c([O-])cccc1F)C(=O)[O-] ZINC001343118634 963910035 /nfs/dbraw/zinc/91/00/35/963910035.db2.gz RBCRALCWURXOCY-VIFPVBQESA-N -2 3 298.314 1.687 20 10 CDCDHL CCn1cc(S(=O)(=O)[N-]c2ccc([O-])cc2F)cn1 ZINC000758168542 577076476 /nfs/dbraw/zinc/07/64/76/577076476.db2.gz BWXBPAQBSUWCAA-UHFFFAOYSA-N -2 3 285.300 1.549 20 10 CDCDHL O=C([O-])C[C@H](NC(=O)c1cccc(O)c1[O-])C1CCCC1 ZINC001601906443 1175060829 /nfs/dbraw/zinc/06/08/29/1175060829.db2.gz YLOHHRXRWMEGEO-NSHDSACASA-N -2 3 293.319 1.861 20 10 CDCDHL O=C([O-])[C@@H]1CN(Cc2ccc(Cl)cc2[O-])CCO1 ZINC001601848203 1175034778 /nfs/dbraw/zinc/03/47/78/1175034778.db2.gz WJWRNPQZTLTOGO-NSHDSACASA-N -2 3 271.700 1.331 20 10 CDCDHL Cc1cc([O-])c(CN2CCOC[C@@H]2C(=O)[O-])c(Cl)c1 ZINC001610475686 1165326023 /nfs/dbraw/zinc/32/60/23/1165326023.db2.gz JEOGIKVIUYRNLX-LLVKDONJSA-N -2 3 285.727 1.639 20 10 CDCDHL O=S(=O)(C[C@@H]1CCCO1)[N-]c1cc(F)c([O-])cc1F ZINC001193262782 923571092 /nfs/dbraw/zinc/57/10/92/923571092.db2.gz UADUVEKGGDHSHY-ZETCQYMHSA-N -2 3 293.291 1.591 20 10 CDCDHL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(O)cc1 ZINC001198730901 925504508 /nfs/dbraw/zinc/50/45/08/925504508.db2.gz ZGPFGPCQFZOJIN-UHFFFAOYSA-N -2 3 293.300 1.891 20 10 CDCDHL CCOc1ccc(C[N@H+](CCC(=O)[O-])CC(=O)[O-])c([O-])c1 ZINC001597100460 986705583 /nfs/dbraw/zinc/70/55/83/986705583.db2.gz LVUPNQSFSRNSFO-UHFFFAOYSA-N -2 3 297.307 1.152 20 10 CDCDHL CCOc1ccc(C[N@@H+](CCC(=O)[O-])CC(=O)[O-])c([O-])c1 ZINC001597100460 986705592 /nfs/dbraw/zinc/70/55/92/986705592.db2.gz LVUPNQSFSRNSFO-UHFFFAOYSA-N -2 3 297.307 1.152 20 10 CDCDHL O=C([O-])C1=NO[C@@]2(CCN(Cc3cccc(F)c3[O-])C2)C1 ZINC001608589283 1164559320 /nfs/dbraw/zinc/55/93/20/1164559320.db2.gz MNCMZCDHDHONCB-AWEZNQCLSA-N -2 3 294.282 1.337 20 10 CDCDHL CC(=O)c1cc(F)cc(CN2CCOC[C@@H]2C(=O)[O-])c1[O-] ZINC000823666627 601560184 /nfs/dbraw/zinc/56/01/84/601560184.db2.gz NTQZBYVPAHSUCH-GFCCVEGCSA-N -2 3 297.282 1.019 20 10 CDCDHL O=C([O-])C1=CC[C@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000694986983 976764851 /nfs/dbraw/zinc/76/48/51/976764851.db2.gz RMIYVFAYDTVARU-QMMMGPOBSA-N -2 3 263.249 1.001 20 10 CDCDHL O=C([O-])[C@]1(C(=O)NCc2c([O-])cccc2F)CC=CCC1 ZINC000902853028 625491204 /nfs/dbraw/zinc/49/12/04/625491204.db2.gz HCMLXRHSSIFCTK-OAHLLOKOSA-N -2 3 293.294 1.959 20 10 CDCDHL O=C([O-])[C@H](CF)NCc1c([O-])ccc(Cl)c1F ZINC001608534428 1164536484 /nfs/dbraw/zinc/53/64/84/1164536484.db2.gz SCFSZCQPDSVVLX-ZETCQYMHSA-N -2 3 265.643 1.697 20 10 CDCDHL Cc1noc(C)c1S(=O)(=O)[N-]c1ccc([O-])cc1F ZINC000085203919 756788414 /nfs/dbraw/zinc/78/84/14/756788414.db2.gz BXCJVYVEEARZIK-UHFFFAOYSA-N -2 3 286.284 1.937 20 10 CDCDHL C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2cccc(O)c2[O-])C1 ZINC000398749450 968277905 /nfs/dbraw/zinc/27/79/05/968277905.db2.gz VFLLSCVPWOEGML-RKDXNWHRSA-N -2 3 279.292 1.281 20 10 CDCDHL CC(=O)c1cc(F)cc(CN2CC[C@@](F)(C(=O)[O-])C2)c1[O-] ZINC000825946977 601443170 /nfs/dbraw/zinc/44/31/70/601443170.db2.gz ZOWHNQCBSXNYGC-AWEZNQCLSA-N -2 3 299.273 1.733 20 10 CDCDHL O=C([O-])C1=NO[C@]2(CCN(Cc3cccc(F)c3[O-])C2)C1 ZINC001608589284 1164559626 /nfs/dbraw/zinc/55/96/26/1164559626.db2.gz MNCMZCDHDHONCB-CQSZACIVSA-N -2 3 294.282 1.337 20 10 CDCDHL CCOC(=O)CS(=O)(=O)[N-]c1ccc([O-])c(Cl)c1 ZINC000085204624 924277008 /nfs/dbraw/zinc/27/70/08/924277008.db2.gz ALKIEYAFVDSROI-UHFFFAOYSA-N -2 3 293.728 1.350 20 10 CDCDHL CC[C@H](C)[C@H](NC(=O)c1cccc(O)c1[O-])C(=O)[O-] ZINC000125985313 958575731 /nfs/dbraw/zinc/57/57/31/958575731.db2.gz MEQGSODFUWAWPP-XVKPBYJWSA-N -2 3 267.281 1.327 20 10 CDCDHL O=C(NCc1c([O-])cccc1F)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001121836170 937884494 /nfs/dbraw/zinc/88/44/94/937884494.db2.gz HCGYKXIAINJZSH-ZKCHVHJHSA-N -2 3 282.271 1.194 20 10 CDCDHL CC(C)(C)[C@H](NC(=O)c1cccc(O)c1[O-])C(=O)[O-] ZINC000125996660 958578189 /nfs/dbraw/zinc/57/81/89/958578189.db2.gz SGXTYVQOHCKEHZ-SNVBAGLBSA-N -2 3 267.281 1.327 20 10 CDCDHL O=C([O-])C1CC(NC(=O)NCc2c([O-])cccc2F)C1 ZINC001601530574 1174894269 /nfs/dbraw/zinc/89/42/69/1174894269.db2.gz HCGYKXIAINJZSH-UHFFFAOYSA-N -2 3 282.271 1.194 20 10 CDCDHL O=C([O-])CN(CCF)Cc1cc(Cl)ccc1[O-] ZINC000833248040 602327529 /nfs/dbraw/zinc/32/75/29/602327529.db2.gz JFPDNNWNJTXYKI-UHFFFAOYSA-N -2 3 261.680 1.902 20 10 CDCDHL O=C([O-])[C@H]1C[C@@H](O)CN1Cc1ccc(Cl)cc1[O-] ZINC001601773378 1175001987 /nfs/dbraw/zinc/00/19/87/1175001987.db2.gz SAHQDBSOGZYZLG-NXEZZACHSA-N -2 3 271.700 1.065 20 10 CDCDHL O=C([O-])[C@]1(O)CCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC001601722760 1174967811 /nfs/dbraw/zinc/96/78/11/1174967811.db2.gz UYKDNOWYAZKIGI-LBPRGKRZSA-N -2 3 289.690 1.206 20 10 CDCDHL CC(=O)c1cc([O-])ccc1[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000766048034 576073916 /nfs/dbraw/zinc/07/39/16/576073916.db2.gz PIDUZMYMKJCTKT-LLVKDONJSA-N -2 3 299.348 1.516 20 10 CDCDHL O=C([O-])[C@@H](C(=O)NCc1c([O-])cccc1F)C1CC1 ZINC000902853500 625538883 /nfs/dbraw/zinc/53/88/83/625538883.db2.gz ONVJOMNSRDSXHT-LLVKDONJSA-N -2 3 267.256 1.258 20 10 CDCDHL COC[C@@]1(C(=O)[O-])CCCN1Cc1cccc(F)c1[O-] ZINC001599192404 997146895 /nfs/dbraw/zinc/14/68/95/997146895.db2.gz CFHOMZKSTZWSLN-CQSZACIVSA-N -2 3 283.299 1.597 20 10 CDCDHL C[C@@H](CC(=O)[O-])C(=O)NCc1c([O-])cccc1F ZINC001604095002 1175748493 /nfs/dbraw/zinc/74/84/93/1175748493.db2.gz LYONFDLMVWTUFA-ZETCQYMHSA-N -2 3 255.245 1.258 20 10 CDCDHL O=C([O-])[C@H]1CN(Cc2ccc(Cl)cc2[O-])CCO1 ZINC001601848202 1175034884 /nfs/dbraw/zinc/03/48/84/1175034884.db2.gz WJWRNPQZTLTOGO-LLVKDONJSA-N -2 3 271.700 1.331 20 10 CDCDHL O=C([O-])[C@@H]1CCCCN1C(=O)c1cccc(O)c1[O-] ZINC000125984888 949262283 /nfs/dbraw/zinc/26/22/83/949262283.db2.gz RUJXNGNVDJJTKC-VIFPVBQESA-N -2 3 265.265 1.177 20 10 CDCDHL Cc1cc([O-])c(CN2CCC[C@H](O)[C@@H]2C(=O)[O-])cc1Cl ZINC001607699152 1164274798 /nfs/dbraw/zinc/27/47/98/1164274798.db2.gz HKXDXZASFRMJJA-WCQYABFASA-N -2 3 299.754 1.764 20 10 CDCDHL O=C([O-])[C@]1(O)CCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC001601722310 1167800425 /nfs/dbraw/zinc/80/04/25/1167800425.db2.gz HNPZDCLMRHMUPT-LBPRGKRZSA-N -2 3 289.690 1.206 20 10 CDCDHL CC[C@H](C)N(CC(=O)[O-])C(=O)c1cccc(O)c1[O-] ZINC000126003570 958578322 /nfs/dbraw/zinc/57/83/22/958578322.db2.gz QKBBEZYXMSAMEP-QMMMGPOBSA-N -2 3 267.281 1.423 20 10 CDCDHL O=C([O-])C[C@@H]1CN(Cc2ccc(Cl)cc2[O-])CCO1 ZINC001608700139 1164610366 /nfs/dbraw/zinc/61/03/66/1164610366.db2.gz BQZNYXYRSCADDG-LLVKDONJSA-N -2 3 285.727 1.721 20 10 CDCDHL COc1ncccc1S(=O)(=O)[N-]c1ccc([O-])cc1F ZINC001194706996 924324801 /nfs/dbraw/zinc/32/48/01/924324801.db2.gz YTVYUEYDOYRMHP-UHFFFAOYSA-N -2 3 298.295 1.736 20 10 CDCDHL O=C([O-])[C@@H](CNC(=O)c1cccc(O)c1[O-])CC1CC1 ZINC000405676958 973902195 /nfs/dbraw/zinc/90/21/95/973902195.db2.gz LHQBIQXJXMHDNC-SECBINFHSA-N -2 3 279.292 1.329 20 10 CDCDHL O=C([O-])[C@@H]1COCCN1Cc1c([O-])cccc1Cl ZINC000128833586 958683582 /nfs/dbraw/zinc/68/35/82/958683582.db2.gz VBNRYWDLUCZJMT-JTQLQIEISA-N -2 3 271.700 1.331 20 10 CDCDHL Cn1cc(S(=O)(=O)[N-]c2ccc([O-])c(F)c2)cn1 ZINC000085200931 1161233516 /nfs/dbraw/zinc/23/35/16/1161233516.db2.gz XGAXAPAPJWZGHV-UHFFFAOYSA-N -2 3 271.273 1.066 20 10 CDCDHL O=C1[N-]C(=S)SC1=Cc1ccc(-c2nnn[n-]2)s1 ZINC000823542406 606388377 /nfs/dbraw/zinc/38/83/77/606388377.db2.gz VTFUTQXTTKSBFR-ZZXKWVIFSA-N -2 3 295.374 1.417 20 10 CDCDHL COCCN(CC(=O)[O-])Cc1c([O-])cc(C)cc1Cl ZINC001604592484 1163241356 /nfs/dbraw/zinc/24/13/56/1163241356.db2.gz DWHZYKVHLHFGFN-UHFFFAOYSA-N -2 3 287.743 1.887 20 10 CDCDHL CC(C)CN1CC(=O)N[C@H]1c1cc(C(=O)[O-])ccc1[O-] ZINC000736432391 575657746 /nfs/dbraw/zinc/65/77/46/575657746.db2.gz MKEDPIYWYGOVQM-CYBMUJFWSA-N -2 3 278.308 1.177 20 10 CDCDHL COCCN(CC(=O)[O-])Cc1c([O-])cccc1Cl ZINC000128827778 598117766 /nfs/dbraw/zinc/11/77/66/598117766.db2.gz ARIREMGRDWPVRQ-UHFFFAOYSA-N -2 3 273.716 1.579 20 10 CDCDHL O=C([O-])[C@@H]1CC[C@H](NC(=O)NCc2c([O-])cccc2F)C1 ZINC001121816157 937883763 /nfs/dbraw/zinc/88/37/63/937883763.db2.gz SDLBOMVZIYITBF-BDAKNGLRSA-N -2 3 296.298 1.584 20 10 CDCDHL C[C@H]1CN(Cc2cccc(F)c2[O-])C[C@@H](C(=O)[O-])O1 ZINC001599929261 985276723 /nfs/dbraw/zinc/27/67/23/985276723.db2.gz CPYNRMIIDVIWIW-KWQFWETISA-N -2 3 269.272 1.205 20 10 CDCDHL Cc1cc([O-])c(CN2CCO[C@@H](C(=O)[O-])C2)cc1Cl ZINC001607698554 1164272751 /nfs/dbraw/zinc/27/27/51/1164272751.db2.gz AONVGUBNJINXLE-GFCCVEGCSA-N -2 3 285.727 1.639 20 10 CDCDHL Cc1ncc(S(=O)(=O)[N-]c2ccc([O-])c(F)c2)n1C ZINC001198391932 925421426 /nfs/dbraw/zinc/42/14/26/925421426.db2.gz KXPSACMMDVAZPF-UHFFFAOYSA-N -2 3 285.300 1.374 20 10 CDCDHL O=C([O-])C1CN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC001594951515 954956515 /nfs/dbraw/zinc/95/65/15/954956515.db2.gz LAMOCKMCDBRHGZ-UHFFFAOYSA-N -2 3 259.664 1.701 20 10 CDCDHL O=C([O-])C[C@@H]1COCCN1Cc1cc(Cl)ccc1[O-] ZINC000128743742 958681163 /nfs/dbraw/zinc/68/11/63/958681163.db2.gz HKZXKLMGSSUFPD-LLVKDONJSA-N -2 3 285.727 1.721 20 10 CDCDHL O=C([O-])[C@@H](F)CNCc1c([O-])ccc(Cl)c1F ZINC001350663370 966730347 /nfs/dbraw/zinc/73/03/47/966730347.db2.gz USFLSCKRZXMYPP-ZETCQYMHSA-N -2 3 265.643 1.697 20 10 CDCDHL CN(C(=O)c1cccc(O)c1[O-])[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000692993916 976556807 /nfs/dbraw/zinc/55/68/07/976556807.db2.gz PQQKYEIHJKDHHH-OCAPTIKFSA-N -2 3 265.265 1.033 20 10 CDCDHL O=C([O-])[C@H]1CN(Cc2cc(Cl)ccc2[O-])CCO1 ZINC000086804762 598123545 /nfs/dbraw/zinc/12/35/45/598123545.db2.gz XNGNPHZJWHRHRN-LLVKDONJSA-N -2 3 271.700 1.331 20 10 CDCDHL O=C([O-])c1ccnc(C(=O)NCc2c([O-])cccc2F)c1 ZINC001602482201 1175256130 /nfs/dbraw/zinc/25/61/30/1175256130.db2.gz QNBOWJDIBZQZPB-UHFFFAOYSA-N -2 3 290.250 1.555 20 10 CDCDHL COC(=O)c1cc([O-])c(F)cc1[N-]S(=O)(=O)C1CC1 ZINC000830161750 712798997 /nfs/dbraw/zinc/79/89/97/712798997.db2.gz VSZUZRPEMLZVCH-UHFFFAOYSA-N -2 3 289.284 1.222 20 10 CDCDHL C[C@](NC(=O)c1cccc(O)c1[O-])(C(=O)[O-])C1CC1 ZINC000125994847 958577349 /nfs/dbraw/zinc/57/73/49/958577349.db2.gz CYSCCAKMKJIOGI-CYBMUJFWSA-N -2 3 265.265 1.081 20 10 CDCDHL O=C([O-])C[C@H]1CN(Cc2c([O-])cccc2Cl)CCO1 ZINC000128838332 958684348 /nfs/dbraw/zinc/68/43/48/958684348.db2.gz BAPDTAOHWAOFSK-VIFPVBQESA-N -2 3 285.727 1.721 20 10 CDCDHL CCCCC[C@H](NC(=O)c1cccc(O)c1[O-])C(=O)[O-] ZINC001605259018 1163506397 /nfs/dbraw/zinc/50/63/97/1163506397.db2.gz PZYRPCJOVOJCIO-JTQLQIEISA-N -2 3 281.308 1.861 20 10 CDCDHL O=C([O-])CN(Cc1c[nH]cn1)Cc1cc(Cl)ccc1[O-] ZINC001602057460 1175122586 /nfs/dbraw/zinc/12/25/86/1175122586.db2.gz DJTBOWVXOZRSME-UHFFFAOYSA-N -2 3 295.726 1.856 20 10 CDCDHL O=C([O-])CCCCCNC(=O)NCc1c([O-])cccc1F ZINC001121899566 913211812 /nfs/dbraw/zinc/21/18/12/913211812.db2.gz HJPPMHWGARJMCN-UHFFFAOYSA-N -2 3 298.314 1.976 20 10 CDCDHL O=C([O-])C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001143422518 896598257 /nfs/dbraw/zinc/59/82/57/896598257.db2.gz HSWKUEFUXKPWEB-UHFFFAOYSA-N -2 3 280.667 1.295 20 10 CDCDHL O=C([O-])C[C@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC000126010617 958577890 /nfs/dbraw/zinc/57/78/90/958577890.db2.gz RNGJIYWLMNOZBY-MRVPVSSYSA-N -2 3 265.265 1.177 20 10 CDCDHL CC(=O)c1cc([O-])ccc1[N-]S(=O)(=O)c1cn(C)cn1 ZINC000766047450 575092786 /nfs/dbraw/zinc/09/27/86/575092786.db2.gz IZWQJKCXLQLJJM-UHFFFAOYSA-N -2 3 295.320 1.129 20 10 CDCDHL CC(C)(CCNC(=O)c1cccc(O)c1[O-])C(=O)[O-] ZINC000311456042 950736462 /nfs/dbraw/zinc/73/64/62/950736462.db2.gz MYAAYBWRNNVVEO-UHFFFAOYSA-N -2 3 267.281 1.329 20 10 CDCDHL O=C([O-])C[C@H]1CN(Cc2cc(Cl)ccc2[O-])CCO1 ZINC000091298759 958137940 /nfs/dbraw/zinc/13/79/40/958137940.db2.gz IFAZRMUZTPOUEY-NSHDSACASA-N -2 3 285.727 1.721 20 10 CDCDHL COc1ccc(S(=O)(=O)[N-]c2ccc([O-])c(F)c2)cn1 ZINC001195716631 924698294 /nfs/dbraw/zinc/69/82/94/924698294.db2.gz HQKRINDJDVKUNQ-UHFFFAOYSA-N -2 3 298.295 1.736 20 10 CDCDHL CC[C@H](CNC(=O)NCc1c([O-])cccc1F)C(=O)[O-] ZINC001343134714 963914988 /nfs/dbraw/zinc/91/49/88/963914988.db2.gz RBVOJKYIKKLTPD-MRVPVSSYSA-N -2 3 284.287 1.441 20 10 CDCDHL O=S(=O)([N-]c1cc(F)c([O-])cc1F)c1cccnc1 ZINC001259608658 935870673 /nfs/dbraw/zinc/87/06/73/935870673.db2.gz VYOUBBQNYJZEHM-UHFFFAOYSA-N -2 3 286.259 1.866 20 10 CDCDHL O=C([O-])c1ccc(NCc2c([O-])cccc2F)nn1 ZINC001602382015 1175229880 /nfs/dbraw/zinc/22/98/80/1175229880.db2.gz WXYNXVBKFCPXGF-UHFFFAOYSA-N -2 3 263.228 1.632 20 10 CDCDHL O=C([O-])N1CCC[C@@H](NC(=O)c2cc([O-])cs2)C1 ZINC000739388370 576223227 /nfs/dbraw/zinc/22/32/27/576223227.db2.gz QSSRPXCDVZBCNI-SSDOTTSWSA-N -2 3 270.310 1.326 20 10 CDCDHL O=C([O-])CN(Cc1cnon1)Cc1cc(Cl)ccc1[O-] ZINC001602060316 1175122066 /nfs/dbraw/zinc/12/20/66/1175122066.db2.gz KYBLSZDOVOSAMT-UHFFFAOYSA-N -2 3 297.698 1.515 20 10 CDCDHL COCCN(CC(=O)[O-])Cc1cccc(Cl)c1[O-] ZINC000820723447 598181425 /nfs/dbraw/zinc/18/14/25/598181425.db2.gz FJOURIHRPIBBHL-UHFFFAOYSA-N -2 3 273.716 1.579 20 10 CDCDHL O=C1[N-]C(=O)C(=Cc2cc(F)c([O-])c(F)c2)S1 ZINC000874928803 727082104 /nfs/dbraw/zinc/08/21/04/727082104.db2.gz SZRWQMYBINQIKO-XVNBXDOJSA-N -2 3 257.217 1.994 20 10 CDCDHL CC(C)OCCS(=O)(=O)[N-]c1ccc([O-])c(F)c1F ZINC000830184946 727401730 /nfs/dbraw/zinc/40/17/30/727401730.db2.gz SNESDBYIUWKXBF-UHFFFAOYSA-N -2 3 295.307 1.837 20 10 CDCDHL CC[C@@H](CS(=O)(=O)[N-]c1ccc([O-])c(F)c1F)OC ZINC000817352382 728355163 /nfs/dbraw/zinc/35/51/63/728355163.db2.gz GMDYGTSEHYKKGJ-ZETCQYMHSA-N -2 3 295.307 1.837 20 10 CDCDHL O=C([O-])[C@@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@H]1C1CC1 ZINC001595190323 952278833 /nfs/dbraw/zinc/27/88/33/952278833.db2.gz RPKYHVZAAFFLLY-WDEREUQCSA-N -2 3 291.303 1.281 20 10 CDCDHL COCCN(CC(=O)[O-])Cc1cccc(F)c1[O-] ZINC000820723526 729975250 /nfs/dbraw/zinc/97/52/50/729975250.db2.gz OBGLXMCRBPJGKS-UHFFFAOYSA-N -2 3 257.261 1.064 20 10 CDCDHL O=C([O-])C1CCC(NC(=O)c2cc([O-])cs2)CC1 ZINC000738481180 576080899 /nfs/dbraw/zinc/08/08/99/576080899.db2.gz GOLNHIFKLCRDIQ-UHFFFAOYSA-N -2 3 269.322 1.827 20 10 CDCDHL CC(=O)c1cc(F)cc(CN2CCOC[C@H]2C(=O)[O-])c1[O-] ZINC000823666628 601560163 /nfs/dbraw/zinc/56/01/63/601560163.db2.gz NTQZBYVPAHSUCH-LBPRGKRZSA-N -2 3 297.282 1.019 20 10 CDCDHL Cc1oncc1S(=O)(=O)[N-]c1ccc([O-])c(F)c1 ZINC001187369789 920502916 /nfs/dbraw/zinc/50/29/16/920502916.db2.gz XHGITGGNVZIKEP-UHFFFAOYSA-N -2 3 272.257 1.629 20 10 CDCDHL COc1c(NCc2c([O-])cccc2F)ncnc1C(=O)[O-] ZINC001599344528 997979260 /nfs/dbraw/zinc/97/92/60/997979260.db2.gz MFWSBYYPXGRXKW-UHFFFAOYSA-N -2 3 293.254 1.640 20 10 CDCDHL O=C([O-])Cc1csc(NC(=O)c2cc([O-])cs2)n1 ZINC000738634041 576098127 /nfs/dbraw/zinc/09/81/27/576098127.db2.gz NYCFUBKGMTZFNE-UHFFFAOYSA-N -2 3 284.318 1.790 20 10 CDCDHL O=C([O-])[C@@]1(C(=O)NCc2c([O-])cccc2F)CC=CCC1 ZINC000902853027 625490777 /nfs/dbraw/zinc/49/07/77/625490777.db2.gz HCMLXRHSSIFCTK-HNNXBMFYSA-N -2 3 293.294 1.959 20 10 CDCDHL O=S(=O)([N-]c1ccc([O-])cc1F)c1ccccn1 ZINC001259287807 945544927 /nfs/dbraw/zinc/54/49/27/945544927.db2.gz KBXZQADMQBNSMN-UHFFFAOYSA-N -2 3 268.269 1.727 20 10 CDCDHL Cn1cc(S(=O)(=O)[N-]c2ccc([O-])c(F)c2F)cn1 ZINC001259825941 945653785 /nfs/dbraw/zinc/65/37/85/945653785.db2.gz BFBHZHQQXZTCQG-UHFFFAOYSA-N -2 3 289.263 1.205 20 10 CDCDHL O=C([O-])CCCCNC(=O)NCc1c([O-])cccc1F ZINC001341431105 963414328 /nfs/dbraw/zinc/41/43/28/963414328.db2.gz DPAJNAHAWASKSU-UHFFFAOYSA-N -2 3 284.287 1.585 20 10 CDCDHL CCCN(C(=O)c1cccc(O)c1[O-])[C@@H](C)C(=O)[O-] ZINC001595829988 982716193 /nfs/dbraw/zinc/71/61/93/982716193.db2.gz HYNXBILUDIHXLK-QMMMGPOBSA-N -2 3 267.281 1.423 20 10 CDCDHL O=S(=O)([N-]c1ccc([O-])c(F)c1)c1cccnc1 ZINC000085200899 1161233475 /nfs/dbraw/zinc/23/34/75/1161233475.db2.gz OXIIBUMTDNARPI-UHFFFAOYSA-N -2 3 268.269 1.727 20 10 CDCDHL Cn1nc(C(=O)[O-])cc1CNCc1c([O-])cccc1F ZINC001594571937 955894753 /nfs/dbraw/zinc/89/47/53/955894753.db2.gz GXLWQMMOIRXOBQ-UHFFFAOYSA-N -2 3 279.271 1.253 20 10 CDCDHL CCC[C@@](C)(NC(=O)c1cccc(O)c1[O-])C(=O)[O-] ZINC000125998950 958578166 /nfs/dbraw/zinc/57/81/66/958578166.db2.gz YNYGXSWCNBMVMH-CYBMUJFWSA-N -2 3 267.281 1.471 20 10 CDCDHL CC[C@@H](CNC(=O)NCc1c([O-])cccc1F)C(=O)[O-] ZINC001343134715 963914759 /nfs/dbraw/zinc/91/47/59/963914759.db2.gz RBVOJKYIKKLTPD-QMMMGPOBSA-N -2 3 284.287 1.441 20 10 CDCDHL O=C([O-])C1(C(=O)NCc2c([O-])cccc2F)CC1 ZINC000902853248 625498991 /nfs/dbraw/zinc/49/89/91/625498991.db2.gz LFJUCVYOLQWPPB-UHFFFAOYSA-N -2 3 253.229 1.012 20 10 CDCDHL C[C@H](CN(C(=O)c1cccc(O)c1[O-])C1CC1)C(=O)[O-] ZINC001604152228 1163108384 /nfs/dbraw/zinc/10/83/84/1163108384.db2.gz AVZPDMFPESTZSJ-MRVPVSSYSA-N -2 3 279.292 1.423 20 10 CDCDHL CCC[C@](C)(NC(=O)c1cccc(O)c1[O-])C(=O)[O-] ZINC000125998763 958576775 /nfs/dbraw/zinc/57/67/75/958576775.db2.gz YNYGXSWCNBMVMH-ZDUSSCGKSA-N -2 3 267.281 1.471 20 10 CDCDHL O=C([O-])CCS(=O)(=O)Nc1ccc([O-])c(Cl)c1 ZINC000232389409 960264181 /nfs/dbraw/zinc/26/41/81/960264181.db2.gz BYXRLZXZSGSBBD-UHFFFAOYSA-N -2 3 279.701 1.262 20 10 CDCDHL CC[C@@](C)(CC(=O)[O-])NC(=O)c1cccc(O)c1[O-] ZINC001604902015 1163374535 /nfs/dbraw/zinc/37/45/35/1163374535.db2.gz NWHAASDTLMHYCO-ZDUSSCGKSA-N -2 3 267.281 1.471 20 10 CDCDHL C[C@H](C(=O)[O-])N(C(=O)c1cccc(O)c1[O-])C1CC1 ZINC000382949963 951231093 /nfs/dbraw/zinc/23/10/93/951231093.db2.gz LJUWYAJOWSDNQE-SSDOTTSWSA-N -2 3 265.265 1.176 20 10 CDCDHL CC(C)CN(CCC(=O)[O-])C(=O)c1cccc(O)c1[O-] ZINC001609698432 1165046489 /nfs/dbraw/zinc/04/64/89/1165046489.db2.gz DNCHOMYARKGRTG-UHFFFAOYSA-N -2 3 281.308 1.671 20 10 CDCDHL CC[C@H](CS(=O)(=O)[N-]c1ccc([O-])c(F)c1F)OC ZINC000817352381 778753026 /nfs/dbraw/zinc/75/30/26/778753026.db2.gz GMDYGTSEHYKKGJ-SSDOTTSWSA-N -2 3 295.307 1.837 20 10 CDCDHL O=S(=O)([N-]c1ccc([O-])c(F)c1F)c1cccnc1 ZINC001259606817 945600937 /nfs/dbraw/zinc/60/09/37/945600937.db2.gz FBPNYCYKXUQJKU-UHFFFAOYSA-N -2 3 286.259 1.866 20 10 CDCDHL O=C([O-])C[C@H]1CN(Cc2ccc(Cl)cc2[O-])CCO1 ZINC001608700140 1164610626 /nfs/dbraw/zinc/61/06/26/1164610626.db2.gz BQZNYXYRSCADDG-NSHDSACASA-N -2 3 285.727 1.721 20 10 CDCDHL CC(=O)c1cc(F)cc(CN(C)[C@H](C)C(=O)[O-])c1[O-] ZINC000269299474 364175592 /nfs/dbraw/zinc/17/55/92/364175592.db2.gz PRGQKMKXFKOQPU-SSDOTTSWSA-N -2 3 269.272 1.639 20 10 CDCDHL CC(=O)c1cc(F)cc(CN(C)CCC(=O)[O-])c1[O-] ZINC000269316103 364177861 /nfs/dbraw/zinc/17/78/61/364177861.db2.gz ZQNAWVPHHXHLKB-UHFFFAOYSA-N -2 3 269.272 1.640 20 10 CDCDHL O=C([O-])[C@H]1CN(Cc2c([O-])cccc2Cl)CCO1 ZINC000128828307 598124573 /nfs/dbraw/zinc/12/45/73/598124573.db2.gz TZVMQOOBCZEODI-LLVKDONJSA-N -2 3 271.700 1.331 20 10 CDCDHL O=C([O-])c1ccc(CNC(=O)c2cccc(O)c2[O-])nc1 ZINC001608884686 1164674469 /nfs/dbraw/zinc/67/44/69/1164674469.db2.gz LGORWUJJAMBBEW-UHFFFAOYSA-N -2 3 288.259 1.121 20 10 CDCDHL CC(=O)c1cc(F)cc(CN2CCN(C(=O)[O-])CC2)c1[O-] ZINC000823628455 603751856 /nfs/dbraw/zinc/75/18/56/603751856.db2.gz QQVCTSRCBCSCGS-UHFFFAOYSA-N -2 3 296.298 1.530 20 10 CDCDHL C[C@H](CNC(=O)NCc1c([O-])cccc1F)C(=O)[O-] ZINC001121918596 937890220 /nfs/dbraw/zinc/89/02/20/937890220.db2.gz MUOPKPKXRKATBX-SSDOTTSWSA-N -2 3 270.260 1.051 20 10 CDCDHL O=C([O-])C1=CC[C@H](NC(=O)c2cc([O-])cs2)C1 ZINC001601735806 1174975759 /nfs/dbraw/zinc/97/57/59/1174975759.db2.gz UAHIDKUCGPCXOY-ZETCQYMHSA-N -2 3 253.279 1.357 20 10 CDCDHL O=C([O-])C1=CC[C@@H](NC(=O)c2cc([O-])cs2)C1 ZINC001601735804 1174975853 /nfs/dbraw/zinc/97/58/53/1174975853.db2.gz UAHIDKUCGPCXOY-SSDOTTSWSA-N -2 3 253.279 1.357 20 10 CDCDHL C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1cccc(O)c1[O-] ZINC000235346425 960416588 /nfs/dbraw/zinc/41/65/88/960416588.db2.gz KRRPJHZGEWLXHM-RKDXNWHRSA-N -2 3 279.292 1.423 20 10 CDCDHL O=C([O-])c1coc(C(=O)COC(=O)c2cc([O-])cs2)c1 ZINC000740255931 576452086 /nfs/dbraw/zinc/45/20/86/576452086.db2.gz BPHWLBCXMSWXNA-UHFFFAOYSA-N -2 3 296.256 1.785 20 10 CDCDHL O=C([O-])CC1(CNC(=O)c2cccc(O)c2[O-])CCCC1 ZINC001601919065 1175066467 /nfs/dbraw/zinc/06/64/67/1175066467.db2.gz BAYVVLOAIGFXTJ-UHFFFAOYSA-N -2 3 293.319 1.863 20 10 CDCDHL O=C([O-])C[C@@H](NC(=O)c1cccc(O)c1[O-])C1CCCC1 ZINC001601906441 1175060341 /nfs/dbraw/zinc/06/03/41/1175060341.db2.gz YLOHHRXRWMEGEO-LLVKDONJSA-N -2 3 293.319 1.861 20 10 CDCDHL CCCS(=O)(=O)[N-]c1cc(F)c([O-])cc1C(=O)OC ZINC001253705244 952050140 /nfs/dbraw/zinc/05/01/40/952050140.db2.gz PQEOEWAJUSJDFB-UHFFFAOYSA-N -2 3 291.300 1.470 20 10 CDCDHL O=C([O-])[C@H]1COCCN1Cc1c([O-])cccc1Cl ZINC000128833374 958681044 /nfs/dbraw/zinc/68/10/44/958681044.db2.gz VBNRYWDLUCZJMT-SNVBAGLBSA-N -2 3 271.700 1.331 20 10 CDCDHL CC(=O)c1cc([O-])ccc1[N-]S(=O)(=O)c1ccn(C)n1 ZINC000766047444 576073814 /nfs/dbraw/zinc/07/38/14/576073814.db2.gz IUCDBSGPNJLGPM-UHFFFAOYSA-N -2 3 295.320 1.129 20 10 CDCDHL O=C1[N-]C(=S)SC1=Cc1ccc(-c2nnn[n-]2)s1 ZINC000823542070 606388016 /nfs/dbraw/zinc/38/80/16/606388016.db2.gz VTFUTQXTTKSBFR-UTCJRWHESA-N -2 3 295.374 1.417 20 10 CDCDHL Cc1ccc(C(=O)Nc2cncc(C(=O)[O-])c2)c([O-])c1O ZINC001607735006 1164282066 /nfs/dbraw/zinc/28/20/66/1164282066.db2.gz PAEWNEKWXCGYQC-UHFFFAOYSA-N -2 3 288.259 1.752 20 10 CDCDHL O=C([O-])c1cccc(C(=O)NCc2c([O-])cccc2F)n1 ZINC001608929317 1164686114 /nfs/dbraw/zinc/68/61/14/1164686114.db2.gz WDCLSBAAKIATRE-UHFFFAOYSA-N -2 3 290.250 1.555 20 10 CDCDHL O=S(=O)([N-]c1ccc([O-])c(F)c1)c1ccoc1 ZINC001188607519 921091425 /nfs/dbraw/zinc/09/14/25/921091425.db2.gz GYBBWDOWJIQDHG-UHFFFAOYSA-N -2 3 257.242 1.925 20 10 CDCDHL COC(=O)CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000737615285 576002093 /nfs/dbraw/zinc/00/20/93/576002093.db2.gz KIHPZOQOHGKMDA-UHFFFAOYSA-N -2 3 287.699 1.105 20 10 CDCDHL O=C([O-])C1(C(=O)NCc2c([O-])cccc2F)CC=CC1 ZINC000902852686 625472706 /nfs/dbraw/zinc/47/27/06/625472706.db2.gz BJVAVAJTXOCQKU-UHFFFAOYSA-N -2 3 279.267 1.569 20 10 CDCDHL CC(=O)c1cc(F)cc(CN2C[C@@H](F)C[C@H]2C(=O)[O-])c1[O-] ZINC000903615956 626037676 /nfs/dbraw/zinc/03/76/76/626037676.db2.gz AOSMMLLQBMFUGL-JQWIXIFHSA-N -2 3 299.273 1.731 20 10 CDCDHL O=S(=O)(C[C@H]1CCCO1)[N-]c1cc(F)c([O-])cc1F ZINC001193262781 923572974 /nfs/dbraw/zinc/57/29/74/923572974.db2.gz UADUVEKGGDHSHY-SSDOTTSWSA-N -2 3 293.291 1.591 20 10 CDCDHL Cc1nc(NC(=O)c2cc(O)c([O-])c(Cl)c2)cc(=O)[n-]1 ZINC001193589824 923788613 /nfs/dbraw/zinc/78/86/13/923788613.db2.gz QXAOREMPXBWVPX-UHFFFAOYSA-N -2 3 295.682 1.808 20 10 CDCDHL O=S(=O)([N-]c1ccc(O)cc1[O-])C(F)(F)F ZINC001252267559 951169333 /nfs/dbraw/zinc/16/93/33/951169333.db2.gz NVAKLKLWZJZIMH-UHFFFAOYSA-N -2 3 257.189 1.359 20 10 CDCDHL O=C([O-])[C@@H]1C[C@H](O)CN1Cc1cc(Cl)ccc1[O-] ZINC001601773196 1175001455 /nfs/dbraw/zinc/00/14/55/1175001455.db2.gz QENIDQOFZZPPMF-UWVGGRQHSA-N -2 3 271.700 1.065 20 10 CDCDHL O=C([O-])[C@@H]1CC[C@H]1C(=O)NCc1c([O-])cccc1F ZINC000902853707 625538785 /nfs/dbraw/zinc/53/87/85/625538785.db2.gz RKWRACKVXIIFOJ-HTQZYQBOSA-N -2 3 267.256 1.258 20 10 CDCDHL O=C([O-])[C@]12CCC[C@H]1N(C(=O)c1cccc(O)c1[O-])CC2 ZINC001602626974 1175330921 /nfs/dbraw/zinc/33/09/21/1175330921.db2.gz WRGYOCMYQSZJKX-ABAIWWIYSA-N -2 3 291.303 1.567 20 10 CDCDHL C[C@@]1(C(=O)[O-])CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000126024240 949262641 /nfs/dbraw/zinc/26/26/41/949262641.db2.gz VHISFMDZOYHFDL-CYBMUJFWSA-N -2 3 265.265 1.035 20 10 CDCDHL CC(=O)c1cc(F)cc(CN2CC[C@](F)(C(=O)[O-])C2)c1[O-] ZINC000825946978 601443178 /nfs/dbraw/zinc/44/31/78/601443178.db2.gz ZOWHNQCBSXNYGC-CQSZACIVSA-N -2 3 299.273 1.733 20 10 CDCDHL CC(C)(C)[C@H](C(=O)[O-])C(=O)NCc1c([O-])cccc1F ZINC000902853210 625484774 /nfs/dbraw/zinc/48/47/74/625484774.db2.gz JZHNBPCBMRHRFO-NSHDSACASA-N -2 3 283.299 1.894 20 10 CDCDHL O=C([O-])C[C@@H]1CN(Cc2cc(Cl)ccc2[O-])CCO1 ZINC000091298758 958138259 /nfs/dbraw/zinc/13/82/59/958138259.db2.gz IFAZRMUZTPOUEY-LLVKDONJSA-N -2 3 285.727 1.721 20 10 CDCDHL CC(C)(C)C[C@H](NC(=O)c1cccc(O)c1[O-])C(=O)[O-] ZINC000401369086 973359872 /nfs/dbraw/zinc/35/98/72/973359872.db2.gz VEWRHLNUWAVQMC-VIFPVBQESA-N -2 3 281.308 1.717 20 10 CDCDHL O=C([O-])N1CCC(NC(=O)c2cc([O-])cs2)CC1 ZINC000738486151 576081654 /nfs/dbraw/zinc/08/16/54/576081654.db2.gz BKJLONQENAHRNL-UHFFFAOYSA-N -2 3 270.310 1.326 20 10 CDCDHL O=C([O-])c1nc(C(=O)NCc2c([O-])cccc2F)cs1 ZINC001608464606 1164522157 /nfs/dbraw/zinc/52/21/57/1164522157.db2.gz ZHQVPBIBDVZNNV-UHFFFAOYSA-N -2 3 296.279 1.616 20 10 CDCDHL CCS(=O)(=O)[N-]c1cc(F)c([O-])cc1C(=O)OC ZINC001253361310 951858485 /nfs/dbraw/zinc/85/84/85/951858485.db2.gz OPVMDJDKPXFTDP-UHFFFAOYSA-N -2 3 277.273 1.080 20 10 CDCDHL O=C([O-])C[C@@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC000126010829 958577319 /nfs/dbraw/zinc/57/73/19/958577319.db2.gz RNGJIYWLMNOZBY-QMMMGPOBSA-N -2 3 265.265 1.177 20 10 CDCDHL CC(C)N(CCC(=O)[O-])C(=O)c1cccc(O)c1[O-] ZINC000126001431 958577827 /nfs/dbraw/zinc/57/78/27/958577827.db2.gz GIBAXMXEVDGFKM-UHFFFAOYSA-N -2 3 267.281 1.423 20 10 CDCDHL CC(C)(CCC(=O)[O-])NC(=O)c1cccc(O)c1[O-] ZINC000126014378 958578296 /nfs/dbraw/zinc/57/82/96/958578296.db2.gz VKWOWMCPVBXPLZ-UHFFFAOYSA-N -2 3 267.281 1.471 20 10 CDCDHL C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@H]1CC(=O)[O-] ZINC000722424064 978141320 /nfs/dbraw/zinc/14/13/20/978141320.db2.gz KBARHJVQGAWJPV-RKDXNWHRSA-N -2 3 279.292 1.281 20 10 CDCDHL CC(=O)c1cc(F)cc(CN2CCO[C@H](C(=O)[O-])C2)c1[O-] ZINC000769756893 575381250 /nfs/dbraw/zinc/38/12/50/575381250.db2.gz ZXXSICHJZKDNOY-LBPRGKRZSA-N -2 3 297.282 1.019 20 10 CDCDHL O=C([O-])CN(CC[N+](=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC001602056207 1175120427 /nfs/dbraw/zinc/12/04/27/1175120427.db2.gz KCFPAHOZUBGIAH-UHFFFAOYSA-N -2 3 288.687 1.209 20 10 CDCDHL O=C([O-])Cn1cc(NCc2cccc(F)c2[O-])cn1 ZINC001574745070 957700399 /nfs/dbraw/zinc/70/03/99/957700399.db2.gz HQHXYXLBDBMQAL-UHFFFAOYSA-N -2 3 265.244 1.425 20 10 CDCDHL O=S(=O)(C[C@H]1CCCO1)[N-]c1ccc([O-])c(F)c1F ZINC000830184969 936448833 /nfs/dbraw/zinc/44/88/33/936448833.db2.gz SWCSEJBJLZXBGX-SSDOTTSWSA-N -2 3 293.291 1.591 20 10 CDCDHL O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000405224586 973791837 /nfs/dbraw/zinc/79/18/37/973791837.db2.gz RXMZBPGCKRNEMM-WCBMZHEXSA-N -2 3 279.292 1.471 20 10 CDCDHL O=C([O-])[C@@H](CF)NCc1c([O-])ccc(Cl)c1F ZINC001608534425 1164536130 /nfs/dbraw/zinc/53/61/30/1164536130.db2.gz SCFSZCQPDSVVLX-SSDOTTSWSA-N -2 3 265.643 1.697 20 10 CDCDHL O=C1[N-]C(=O)C(=Cc2cc(F)c([O-])c(F)c2)S1 ZINC000874928797 1165694591 /nfs/dbraw/zinc/69/45/91/1165694591.db2.gz SZRWQMYBINQIKO-CLTKARDFSA-N -2 3 257.217 1.994 20 10 CDCDHL O=C([O-])[C@H](CNC(=O)c1cccc(O)c1[O-])C1CCC1 ZINC000697947378 954834828 /nfs/dbraw/zinc/83/48/28/954834828.db2.gz JMYTUNLLUIYOMV-SNVBAGLBSA-N -2 3 279.292 1.329 20 10 CDCDHL CCC(CC)(CC(=O)[O-])NC(=O)c1cccc(O)c1[O-] ZINC001595053126 979284770 /nfs/dbraw/zinc/28/47/70/979284770.db2.gz AVGIBHRQJVKLCQ-UHFFFAOYSA-N -2 3 281.308 1.861 20 10 CDCDHL O=C([O-])C12CCC(CC1)N2C(=O)c1cccc(O)c1[O-] ZINC001609029008 1164734021 /nfs/dbraw/zinc/73/40/21/1164734021.db2.gz CNBMEWXGTDIWSQ-UHFFFAOYSA-N -2 3 277.276 1.320 20 10 CDCDHL CCn1cc(S(=O)(=O)[N-]c2ccc([O-])c(F)c2)cn1 ZINC001259837784 945659976 /nfs/dbraw/zinc/65/99/76/945659976.db2.gz CGOQZHUDUQHGLR-UHFFFAOYSA-N -2 3 285.300 1.549 20 10 CDCDHL O=C([O-])c1ccc(C(=O)NCc2c([O-])cccc2F)cn1 ZINC001594768175 953542458 /nfs/dbraw/zinc/54/24/58/953542458.db2.gz ZWERUHJYFPCYJK-UHFFFAOYSA-N -2 3 290.250 1.555 20 10 CDCDHL O=C([O-])[C@@]1(O)CCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC001601722759 1174966574 /nfs/dbraw/zinc/96/65/74/1174966574.db2.gz UYKDNOWYAZKIGI-GFCCVEGCSA-N -2 3 289.690 1.206 20 10 CDCDHL C[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])[C@H]1C(=O)[O-] ZINC000235633108 949874934 /nfs/dbraw/zinc/87/49/34/949874934.db2.gz FCBFGYZZCZTYQX-GZMMTYOYSA-N -2 3 279.292 1.423 20 10 CDCDHL CCCN(CC(=O)[O-])C(=O)c1cccc(O)c1[O-] ZINC000126005233 958577299 /nfs/dbraw/zinc/57/72/99/958577299.db2.gz ARNFYORXXMEYNF-UHFFFAOYSA-N -2 3 253.254 1.035 20 10 CDCDHL O=C([O-])[C@H](C(=O)NCc1c([O-])cccc1F)C1CC1 ZINC000902853501 625538586 /nfs/dbraw/zinc/53/85/86/625538586.db2.gz ONVJOMNSRDSXHT-NSHDSACASA-N -2 3 267.256 1.258 20 10 CDCDHL CC(C)(CNC(=O)c1cccc(O)c1[O-])CC(=O)[O-] ZINC000720945694 978089543 /nfs/dbraw/zinc/08/95/43/978089543.db2.gz ZTGTVSKBYJAEPP-UHFFFAOYSA-N -2 3 267.281 1.329 20 10 CDCDHL CCCN(C(=O)c1cccc(O)c1[O-])[C@H](C)C(=O)[O-] ZINC001595829987 982716094 /nfs/dbraw/zinc/71/60/94/982716094.db2.gz HYNXBILUDIHXLK-MRVPVSSYSA-N -2 3 267.281 1.423 20 10 CDCDHL O=C([O-])c1cc([N-]S(=O)(=O)c2ccccc2)ccc1O ZINC000003283043 375622692 /nfs/dbraw/zinc/62/26/92/375622692.db2.gz SILBGFSRCCTLGD-UHFFFAOYSA-N -2 3 293.300 1.891 20 10 CDCDHL Cc1cc(CNC(=O)c2cccc(O)c2[O-])oc1C(=O)[O-] ZINC001600202491 1174404862 /nfs/dbraw/zinc/40/48/62/1174404862.db2.gz OVSCAHSOHQDFLP-UHFFFAOYSA-N -2 3 291.259 1.627 20 10 CDCDHL Cc1cc([O-])c(CN2CCOC[C@H]2C(=O)[O-])c(Cl)c1 ZINC001610475687 1165325733 /nfs/dbraw/zinc/32/57/33/1165325733.db2.gz JEOGIKVIUYRNLX-NSHDSACASA-N -2 3 285.727 1.639 20 10 CDCDHL O=C(Nc1ncccc1[O-])c1cc(=O)n(-c2ccccc2)[n-]1 ZINC001147878356 932627088 /nfs/dbraw/zinc/62/70/88/932627088.db2.gz CRFZRTLNQBEKEE-UHFFFAOYSA-N -2 3 296.286 1.519 20 10 CDCDHL Cc1cc(C(=O)[O-])nc(NCc2c([O-])cccc2F)n1 ZINC001600128597 1174370059 /nfs/dbraw/zinc/37/00/59/1174370059.db2.gz UGEKIMCITYOBLO-UHFFFAOYSA-N -2 3 277.255 1.940 20 10 CDCDHL C[C@@]1(C(=O)[O-])CCCN1C(=O)c1cccc(O)c1[O-] ZINC000126038024 958578345 /nfs/dbraw/zinc/57/83/45/958578345.db2.gz GGLYBTXECOEJMI-ZDUSSCGKSA-N -2 3 265.265 1.177 20 10 CDCDHL O=C([O-])C1(C(=O)NCc2c([O-])cccc2F)CCOCC1 ZINC001605931123 972860987 /nfs/dbraw/zinc/86/09/87/972860987.db2.gz UVYQFYCJQYLEJK-UHFFFAOYSA-N -2 3 297.282 1.029 20 10 CDCDHL O=C([O-])[C@@H]1CC[C@H](C(=O)NCc2c([O-])cccc2F)C1 ZINC000902852877 625472813 /nfs/dbraw/zinc/47/28/13/625472813.db2.gz FQEMWLJXXSMMHF-DTWKUNHWSA-N -2 3 281.283 1.648 20 10 CDCDHL O=C([O-])C[C@@H]1CN(Cc2c([O-])cccc2Cl)CCO1 ZINC000128838092 958683563 /nfs/dbraw/zinc/68/35/63/958683563.db2.gz BAPDTAOHWAOFSK-SECBINFHSA-N -2 3 285.727 1.721 20 10 CDCDHL O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccc([O-])c(F)c1 ZINC000755590332 576950680 /nfs/dbraw/zinc/95/06/80/576950680.db2.gz KAFIWVCFJLAURS-WQLSENKSSA-N -2 3 298.273 1.993 20 10 CDCDHL Cc1ccc(C(=O)Nc2nn(C)cc2C(=O)[O-])c([O-])c1O ZINC001607734205 1164281075 /nfs/dbraw/zinc/28/10/75/1164281075.db2.gz IQUODXAMVGNGGL-UHFFFAOYSA-N -2 3 291.263 1.090 20 10 CDCDHL O=S(=O)([N-]c1ccc([O-])cc1F)c1c[nH]cn1 ZINC000085203904 738808925 /nfs/dbraw/zinc/80/89/25/738808925.db2.gz MRXATXBPEJIUOF-UHFFFAOYSA-N -2 3 257.246 1.055 20 10 CDCDHL O=C([O-])CCCNC(=O)NCc1c([O-])cccc1F ZINC001341368309 963387585 /nfs/dbraw/zinc/38/75/85/963387585.db2.gz LEJOMRAIJMKGSV-UHFFFAOYSA-N -2 3 270.260 1.195 20 10 CDCDHL C[C@@H](CC(=O)[O-])CC(=O)NCc1c([O-])cccc1F ZINC001592387956 977932116 /nfs/dbraw/zinc/93/21/16/977932116.db2.gz JBPNZJKHZHDORB-MRVPVSSYSA-N -2 3 269.272 1.648 20 10 CDCDHL O=S(=O)([N-]c1ccc([O-])c(F)c1)c1cn[nH]c1 ZINC000085200971 1161233643 /nfs/dbraw/zinc/23/36/43/1161233643.db2.gz CNVWONIFZXXYGM-UHFFFAOYSA-N -2 3 257.246 1.055 20 10 CDCDHL O=C([O-])CN(CC1=NOCC1)Cc1cc(Cl)ccc1[O-] ZINC001608744568 1164627289 /nfs/dbraw/zinc/62/72/89/1164627289.db2.gz MFVQOWXLDQPEBP-UHFFFAOYSA-N -2 3 298.726 1.709 20 10 CDCDHL O=S(=O)([N-]c1ccc([O-])c(F)c1F)c1cn[nH]c1 ZINC001260959865 945925496 /nfs/dbraw/zinc/92/54/96/945925496.db2.gz XFDFPZZNHRRHAS-UHFFFAOYSA-N -2 3 275.236 1.194 20 10 CDCDHL O=C([O-])[C@@H]1C[C@@H](O)CN1Cc1cc(Cl)ccc1[O-] ZINC001601773200 1175000984 /nfs/dbraw/zinc/00/09/84/1175000984.db2.gz QENIDQOFZZPPMF-ZJUUUORDSA-N -2 3 271.700 1.065 20 10 CDCDHL Cc1cc([O-])c(CN2CCO[C@@H](C(=O)[O-])C2)c(Cl)c1 ZINC001594326535 958178006 /nfs/dbraw/zinc/17/80/06/958178006.db2.gz FQXOYZITSOHRPY-GFCCVEGCSA-N -2 3 285.727 1.639 20 10 CDCDHL CCCCN1CC(=O)N[C@@H]1c1cc(C(=O)[O-])ccc1[O-] ZINC000736995191 575785812 /nfs/dbraw/zinc/78/58/12/575785812.db2.gz KNCVALNAFTTZOS-ZDUSSCGKSA-N -2 3 278.308 1.321 20 10 CDCDHL O=S(=O)(C[C@@H]1CCCCO1)[N-]c1ccc([O-])cc1F ZINC000758169078 577076990 /nfs/dbraw/zinc/07/69/90/577076990.db2.gz MIRIPKACCUDSGG-JTQLQIEISA-N -2 3 289.328 1.842 20 10 CDCDHL CN(CCCC(=O)[O-])C(=O)c1cccc(O)c1[O-] ZINC000125994358 958576631 /nfs/dbraw/zinc/57/66/31/958576631.db2.gz IKFVHTWAIMMLBO-UHFFFAOYSA-N -2 3 253.254 1.035 20 10 CDCDHL CCCN(Cc1n[nH]c(=O)[n-]1)Cc1ccccc1[O-] ZINC000091587902 358518917 /nfs/dbraw/zinc/51/89/17/358518917.db2.gz WLQCWIKGYHTEPD-UHFFFAOYSA-N -2 3 262.313 1.216 20 10 CDCDHL O=C([O-])[C@H]1CN(Cc2c([O-])ccc3ccncc32)CCO1 ZINC000738548992 576087342 /nfs/dbraw/zinc/08/73/42/576087342.db2.gz NHLJOXYXCJXEGN-CQSZACIVSA-N -2 3 288.303 1.226 20 10 CDCDHL Cc1cc([O-])c(CN2CCC[C@@H](O)[C@@H]2C(=O)[O-])cc1Cl ZINC001607699150 1164275274 /nfs/dbraw/zinc/27/52/74/1164275274.db2.gz HKXDXZASFRMJJA-DGCLKSJQSA-N -2 3 299.754 1.764 20 10 CDCDHL O=C([O-])CCCNC(=S)NCc1c([O-])cccc1F ZINC001608714882 1164618029 /nfs/dbraw/zinc/61/80/29/1164618029.db2.gz FDCATFYPNAGLCC-UHFFFAOYSA-N -2 3 286.328 1.360 20 10 CDCDHL C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)c1cccc(O)c1[O-] ZINC001605008066 972612620 /nfs/dbraw/zinc/61/26/20/972612620.db2.gz PFRHUGBEEOZDJA-VXNVDRBHSA-N -2 3 265.265 1.176 20 10 CDCDHL C[C@H](CC(=O)[O-])CC(=O)NCc1c([O-])cccc1F ZINC001592387957 977931640 /nfs/dbraw/zinc/93/16/40/977931640.db2.gz JBPNZJKHZHDORB-QMMMGPOBSA-N -2 3 269.272 1.648 20 10 CDCDHL Cc1ccc(C(=O)Nc2cc(C(=O)[O-])n[nH]2)c([O-])c1O ZINC001594347813 1174184066 /nfs/dbraw/zinc/18/40/66/1174184066.db2.gz YERHDPLMXKMACN-UHFFFAOYSA-N -2 3 277.236 1.080 20 10 CDCDHL Cc1cc([O-])c(CN2CCOC[C@@H]2C(=O)[O-])cc1Cl ZINC001607699302 1164274704 /nfs/dbraw/zinc/27/47/04/1164274704.db2.gz JLYGMXNZQYPNJZ-LLVKDONJSA-N -2 3 285.727 1.639 20 10 CDCDHL Cc1cc([O-])c(CN2CCO[C@H](C(=O)[O-])C2)cc1Cl ZINC001607698557 1164273745 /nfs/dbraw/zinc/27/37/45/1164273745.db2.gz AONVGUBNJINXLE-LBPRGKRZSA-N -2 3 285.727 1.639 20 10 CDCDHL CCN(C(=O)c1cccc(O)c1[O-])C(C)(C)C(=O)[O-] ZINC000126018828 958577923 /nfs/dbraw/zinc/57/79/23/958577923.db2.gz OQMOUMFSNDIWNM-UHFFFAOYSA-N -2 3 267.281 1.423 20 10 CDCDHL O=C([O-])c1ccc2c(c1)CCN2C(=O)c1cccc(O)c1[O-] ZINC000318787749 970472043 /nfs/dbraw/zinc/47/20/43/970472043.db2.gz PGTRSOGGIKMRMM-UHFFFAOYSA-N -2 3 299.282 1.999 20 10 CDCDHL O=C([O-])C[C@H](CNC(=O)c1cccc(O)c1[O-])C1CC1 ZINC000690508982 976312488 /nfs/dbraw/zinc/31/24/88/976312488.db2.gz ARQYWHGNAGZZDP-SECBINFHSA-N -2 3 279.292 1.329 20 10 CDCDHL O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)c1cccc(O)c1[O-])C2 ZINC000712964310 977624544 /nfs/dbraw/zinc/62/45/44/977624544.db2.gz QOHZTYZZTSQKJL-KXEKKFMESA-N -2 3 277.276 1.081 20 10 CDCDHL C[C@H]1CC[C@@](NC(=O)c2cccc(O)c2[O-])(C(=O)[O-])CC1 ZINC001599907547 984943073 /nfs/dbraw/zinc/94/30/73/984943073.db2.gz HEIKHVFGGHWGJE-AZKDTHOKSA-N -2 3 293.319 1.861 20 10 CDCDHL O=C([O-])CSCCNC(=O)c1cc([O-])cs1 ZINC000739863098 576391674 /nfs/dbraw/zinc/39/16/74/576391674.db2.gz VCQSIQWWTSDQEB-UHFFFAOYSA-N -2 3 261.324 1.001 20 10 CDCDHL CO[C@H](C)CS(=O)(=O)[N-]c1ccc([O-])c(F)c1F ZINC000830185348 775814772 /nfs/dbraw/zinc/81/47/72/775814772.db2.gz ZNWCSPOVCCLEFR-ZCFIWIBFSA-N -2 3 281.280 1.447 20 10 CDCDHL O=C([O-])Cn1cc(NCc2ccc(Cl)cc2[O-])cn1 ZINC001606341274 973778511 /nfs/dbraw/zinc/77/85/11/973778511.db2.gz PTVXOAZRRCGNDW-UHFFFAOYSA-N -2 3 281.699 1.939 20 10 CDCDHL Cn1cc(NC(=O)c2cccc(O)c2[O-])cc1C(=O)[O-] ZINC001608120666 1164415641 /nfs/dbraw/zinc/41/56/41/1164415641.db2.gz KNSAERRYIBUQLN-UHFFFAOYSA-N -2 3 276.248 1.387 20 10 CDCDHL O=C([O-])C1=CC[C@@H](NC(=O)NCc2c([O-])cccc2F)C1 ZINC001608464531 1164522671 /nfs/dbraw/zinc/52/26/71/1164522671.db2.gz XCYNTFWGVLCGRT-SECBINFHSA-N -2 3 294.282 1.504 20 10 CDCDHL O=C(Nc1cc(=O)[n-]c(Cl)n1)c1cc(O)c([O-])c(O)c1 ZINC001148581191 932751023 /nfs/dbraw/zinc/75/10/23/932751023.db2.gz OKXHHRWNCBAQJV-UHFFFAOYSA-N -2 3 297.654 1.205 20 10 CDCDHL C[C@]1(C(=O)[O-])CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000126023988 949262123 /nfs/dbraw/zinc/26/21/23/949262123.db2.gz VHISFMDZOYHFDL-ZDUSSCGKSA-N -2 3 265.265 1.035 20 10 CDCDHL O=C([O-])[C@@H]1CN(C(=O)c2cccc(O)c2[O-])c2ccccc21 ZINC000318764210 970469124 /nfs/dbraw/zinc/46/91/24/970469124.db2.gz LPVLIVDPXYRUCZ-LLVKDONJSA-N -2 3 299.282 1.926 20 10 CDCDHL O=C([O-])c1occc1CNC(=O)c1cccc(O)c1[O-] ZINC001601545933 1174898848 /nfs/dbraw/zinc/89/88/48/1174898848.db2.gz PIGSBKJJMRFHSY-UHFFFAOYSA-N -2 3 277.232 1.319 20 10 CDCDHL O=C([O-])c1coc(CNCc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000756305851 576985067 /nfs/dbraw/zinc/98/50/67/576985067.db2.gz BQDHSLUUMXOVRI-UHFFFAOYSA-N -2 3 292.247 1.881 20 10 CDCDHL O=S(=O)([N-]c1cc(F)c([O-])c(F)c1)c1ccncc1 ZINC001190894205 922284132 /nfs/dbraw/zinc/28/41/32/922284132.db2.gz XQSJTOONXYVZSG-UHFFFAOYSA-N -2 3 286.259 1.866 20 10 CDCDHL CC(=O)c1cc(F)cc(CN(C)Cc2n[n-]c(=O)o2)c1[O-] ZINC000852187953 927733218 /nfs/dbraw/zinc/73/32/18/927733218.db2.gz DQQWOMQDVCIRAK-UHFFFAOYSA-N -2 3 295.270 1.455 20 10 CDCDHL C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NCc1c([O-])cccc1F ZINC000902854164 625539444 /nfs/dbraw/zinc/53/94/44/625539444.db2.gz YVQNQGYEANTZDV-UHLUBPPHSA-N -2 3 267.256 1.258 20 10 CDCDHL CS(C)(=O)=NS(=O)(=O)[N-]c1ccc([O-])c(Cl)c1 ZINC000821190967 789038720 /nfs/dbraw/zinc/03/87/20/789038720.db2.gz IQOIORVXYDRFRF-UHFFFAOYSA-N -2 3 298.773 1.430 20 10 CDCDHL O=C([O-])[C@H](CNC(=O)c1cccc(O)c1[O-])CC1CC1 ZINC000405676964 973902451 /nfs/dbraw/zinc/90/24/51/973902451.db2.gz LHQBIQXJXMHDNC-VIFPVBQESA-N -2 3 279.292 1.329 20 10 CDCDHL O=C([O-])C[C@@H]1COCCN1Cc1cccc(F)c1[O-] ZINC001601963433 1175087579 /nfs/dbraw/zinc/08/75/79/1175087579.db2.gz LZKAQZSAGAOVCY-SNVBAGLBSA-N -2 3 269.272 1.207 20 10 CDCDHL C[C@@H]1CN(Cc2c([O-])cccc2Cl)C[C@@H](C(=O)[O-])O1 ZINC001607438007 1164180767 /nfs/dbraw/zinc/18/07/67/1164180767.db2.gz OPMCYZBPBIXAHJ-PELKAZGASA-N -2 3 285.727 1.720 20 10 CDCDHL C[C@H]1CN(Cc2c([O-])cccc2Cl)C[C@@H](C(=O)[O-])O1 ZINC001607477754 1164197196 /nfs/dbraw/zinc/19/71/96/1164197196.db2.gz OPMCYZBPBIXAHJ-UFBFGSQYSA-N -2 3 285.727 1.720 20 10 CDCDHL O=C([O-])C[C@@H]1CC[C@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000381014264 971732033 /nfs/dbraw/zinc/73/20/33/971732033.db2.gz KPHALJUXTAKFHH-BDAKNGLRSA-N -2 3 279.292 1.471 20 10 CDCDHL O=C([O-])C[C@@H](CNC(=O)c1cccc(O)c1[O-])C1CC1 ZINC000690508984 976312514 /nfs/dbraw/zinc/31/25/14/976312514.db2.gz ARQYWHGNAGZZDP-VIFPVBQESA-N -2 3 279.292 1.329 20 10 CDCDHL CC(C)(CNC(=O)NCc1c([O-])cccc1F)CC(=O)[O-] ZINC001590726364 990516763 /nfs/dbraw/zinc/51/67/63/990516763.db2.gz QKXVWQWOFANFQT-UHFFFAOYSA-N -2 3 298.314 1.831 20 10 CDCDHL O=C([O-])C[C@H]1COCCN1Cc1cccc(F)c1[O-] ZINC001601963432 1175089383 /nfs/dbraw/zinc/08/93/83/1175089383.db2.gz LZKAQZSAGAOVCY-JTQLQIEISA-N -2 3 269.272 1.207 20 10 CDCDHL CC(C)N(CC(=O)[O-])C(=O)c1cccc(O)c1[O-] ZINC000126001172 949261245 /nfs/dbraw/zinc/26/12/45/949261245.db2.gz CGIGYZINOMCSMS-UHFFFAOYSA-N -2 3 253.254 1.033 20 10 CDCDHL O=C([O-])[C@@H](CNC(=O)c1cccc(O)c1[O-])C1CCC1 ZINC000697947376 954835685 /nfs/dbraw/zinc/83/56/85/954835685.db2.gz JMYTUNLLUIYOMV-JTQLQIEISA-N -2 3 279.292 1.329 20 10 CDCDHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ccccc2O)o1 ZINC000228403255 960012726 /nfs/dbraw/zinc/01/27/26/960012726.db2.gz ALOFEPKCWLCXLZ-UHFFFAOYSA-N -2 3 297.288 1.162 20 10 CDCDHL O=C([O-])CC1CC(NC(=O)c2cccc(O)c2[O-])C1 ZINC000718063514 977939982 /nfs/dbraw/zinc/93/99/82/977939982.db2.gz MLRYFTXPVVONAD-UHFFFAOYSA-N -2 3 265.265 1.081 20 10 CDCDHL CC(C)CN1CC(=O)N[C@@H]1c1cc(C(=O)[O-])ccc1[O-] ZINC000736432392 575657572 /nfs/dbraw/zinc/65/75/72/575657572.db2.gz MKEDPIYWYGOVQM-ZDUSSCGKSA-N -2 3 278.308 1.177 20 10 CDCDHL Cc1cc([O-])c(CN2CCC[C@@H](O)[C@H]2C(=O)[O-])cc1Cl ZINC001607699155 1164275049 /nfs/dbraw/zinc/27/50/49/1164275049.db2.gz HKXDXZASFRMJJA-YPMHNXCESA-N -2 3 299.754 1.764 20 10 CDCDHL O=C([O-])CCCCCNC(=O)c1cccc(O)c1[O-] ZINC000125979636 949260864 /nfs/dbraw/zinc/26/08/64/949260864.db2.gz GZGXOMCZXNOPPC-UHFFFAOYSA-N -2 3 267.281 1.473 20 10 CDCDHL O=C([O-])CC1(NC(=O)c2cccc(O)c2[O-])CCC1 ZINC000126064063 958580319 /nfs/dbraw/zinc/58/03/19/958580319.db2.gz OEXVWTAVZYPXRC-UHFFFAOYSA-N -2 3 265.265 1.225 20 10 CDCDHL O=C([O-])Cn1cc(NCc2cc(F)c(F)cc2[O-])cn1 ZINC001606340747 973775250 /nfs/dbraw/zinc/77/52/50/973775250.db2.gz AWJBDQLKIRODQB-UHFFFAOYSA-N -2 3 283.234 1.564 20 10 CDCDHL Cc1ccc(C(=O)Nc2cc(C(=O)[O-])n(C)n2)c([O-])c1O ZINC001600343001 1174449002 /nfs/dbraw/zinc/44/90/02/1174449002.db2.gz MIGIBIGXMOWXJK-UHFFFAOYSA-N -2 3 291.263 1.090 20 10 CDCDHL COCCS(=O)(=O)[N-]c1cc(F)c([O-])cc1F ZINC001259972014 945767484 /nfs/dbraw/zinc/76/74/84/945767484.db2.gz IZRPCLJDSIJKHE-UHFFFAOYSA-N -2 3 267.253 1.059 20 10 CDCDHL Cn1ncc(C(=O)[O-])c1CNCc1c([O-])cccc1F ZINC001605556185 973785712 /nfs/dbraw/zinc/78/57/12/973785712.db2.gz XXDICNNNCWOQHC-UHFFFAOYSA-N -2 3 279.271 1.253 20 10 CDCDHL O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1ccc([O-])c(F)c1 ZINC000755590333 576950609 /nfs/dbraw/zinc/95/06/09/576950609.db2.gz KAFIWVCFJLAURS-XYOKQWHBSA-N -2 3 298.273 1.993 20 10 CDCDHL C[C@@H](CNC(=O)NCc1c([O-])cccc1F)C(=O)[O-] ZINC001121918597 937890479 /nfs/dbraw/zinc/89/04/79/937890479.db2.gz MUOPKPKXRKATBX-ZETCQYMHSA-N -2 3 270.260 1.051 20 10 CDCDHL CC(=O)c1cc(F)cc(CN(C)[C@@H](C)C(=O)[O-])c1[O-] ZINC000269299476 364175781 /nfs/dbraw/zinc/17/57/81/364175781.db2.gz PRGQKMKXFKOQPU-ZETCQYMHSA-N -2 3 269.272 1.639 20 10 CDCDHL CCC[C@H](NC(=O)c1cccc(O)c1[O-])C(=O)[O-] ZINC000125999116 958578279 /nfs/dbraw/zinc/57/82/79/958578279.db2.gz QCKFMSIVMKQOAP-QMMMGPOBSA-N -2 3 253.254 1.081 20 10 CDCDHL O=C([O-])[C@H](NC(=O)c1cccc(O)c1[O-])c1ccccn1 ZINC001601402804 1174855920 /nfs/dbraw/zinc/85/59/20/1174855920.db2.gz XMKPAQMZDBRKEK-LLVKDONJSA-N -2 3 288.259 1.049 20 10 CDCDHL C[C@@H](C(=O)[O-])N(C(=O)c1cccc(O)c1[O-])C1CC1 ZINC000382949964 951231258 /nfs/dbraw/zinc/23/12/58/951231258.db2.gz LJUWYAJOWSDNQE-ZETCQYMHSA-N -2 3 265.265 1.176 20 10 CDCDHL CC(=O)c1cc(F)cc(CN2CC[C@H](C(=O)[O-])C2)c1[O-] ZINC000178903851 342532871 /nfs/dbraw/zinc/53/28/71/342532871.db2.gz UNCFXGWGLYMNED-VIFPVBQESA-N -2 3 281.283 1.640 20 10 CDCDHL O=C([O-])c1cncc(NCc2c([O-])cccc2F)n1 ZINC001602539797 1175281219 /nfs/dbraw/zinc/28/12/19/1175281219.db2.gz FXVJBBGZERWROK-UHFFFAOYSA-N -2 3 263.228 1.632 20 10 CDCDHL O=S(=O)([N-]c1ccc([O-])cc1F)C(F)(F)F ZINC001252347419 951199215 /nfs/dbraw/zinc/19/92/15/951199215.db2.gz YMWXYEDWTDAABU-UHFFFAOYSA-N -2 3 259.180 1.793 20 10 CDCDHL CC(C)(CC(=O)[O-])NC(=O)c1cccc(O)c1[O-] ZINC000126040871 958576729 /nfs/dbraw/zinc/57/67/29/958576729.db2.gz AILNMAFZXNVENR-UHFFFAOYSA-N -2 3 253.254 1.081 20 10 CDCDHL CCCCN1CC(=O)N[C@H]1c1cc(C(=O)[O-])ccc1[O-] ZINC000736995189 575785846 /nfs/dbraw/zinc/78/58/46/575785846.db2.gz KNCVALNAFTTZOS-CYBMUJFWSA-N -2 3 278.308 1.321 20 10 CDCDHL O=C([O-])Cc1cccc(NC(=O)c2cccc(O)c2[O-])n1 ZINC001610796161 1165443811 /nfs/dbraw/zinc/44/38/11/1165443811.db2.gz BAAITHNBNBNHAW-UHFFFAOYSA-N -2 3 288.259 1.372 20 10 CDCDHL O=C([O-])[C@H]1C[C@@H]2C[C@H](NC(=O)c3cccc(O)c3[O-])[C@@H]2C1 ZINC001601576308 1174905574 /nfs/dbraw/zinc/90/55/74/1174905574.db2.gz RULMRBISXJPZEF-MKHNBGRSSA-N -2 3 291.303 1.327 20 10 CDCDHL O=C([O-])C12CC(C(=O)NCc3c([O-])cccc3F)(C1)C2 ZINC001601729005 1174971531 /nfs/dbraw/zinc/97/15/31/1174971531.db2.gz XPSDEUDKINJBGY-UHFFFAOYSA-N -2 3 279.267 1.402 20 10 CDCDHL Cc1nc(S(=O)(=O)[N-]c2ccc([O-])cc2F)cn1C ZINC000085203916 710421600 /nfs/dbraw/zinc/42/16/00/710421600.db2.gz QUAZOCNQEIWUOP-UHFFFAOYSA-N -2 3 285.300 1.374 20 10 CDCDHL CC(=O)c1cc([O-])ccc1[N-]S(=O)(=O)c1cn[nH]c1 ZINC000766047069 576073823 /nfs/dbraw/zinc/07/38/23/576073823.db2.gz FDDQWLDFSLMDRW-UHFFFAOYSA-N -2 3 281.293 1.119 20 10 CDCDHL CC1(C)C[C@@]1(C(=O)[O-])C(=O)NCc1c([O-])cccc1F ZINC000902854191 625540588 /nfs/dbraw/zinc/54/05/88/625540588.db2.gz ZGCVUBHNWGGQBC-AWEZNQCLSA-N -2 3 281.283 1.648 20 10 CDCDHL COCCN(CC(=O)[O-])Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000769750649 575380032 /nfs/dbraw/zinc/38/00/32/575380032.db2.gz GYAPOVVIBJGQMR-UHFFFAOYSA-N -2 3 299.298 1.267 20 10 CDCDHL COc1ncccc1S(=O)(=O)[N-]c1ccc([O-])c(F)c1 ZINC001194706800 924325721 /nfs/dbraw/zinc/32/57/21/924325721.db2.gz VDELMYWKQZHSPX-UHFFFAOYSA-N -2 3 298.295 1.736 20 10 CDCDHL O=C([O-])CN(C(=O)c1cccc(O)c1[O-])C1CCC1 ZINC001595068983 951581818 /nfs/dbraw/zinc/58/18/18/951581818.db2.gz WNTVHJLKRWSPGN-UHFFFAOYSA-N -2 3 265.265 1.177 20 10 CDCDHL O=C([O-])C1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000738543844 576086840 /nfs/dbraw/zinc/08/68/40/576086840.db2.gz CQZHSTYICGJVGC-UHFFFAOYSA-N -2 3 255.295 1.391 20 10 CDCDHL O=C([O-])C[C@H]1COCCN1Cc1cc(Cl)ccc1[O-] ZINC000128743490 958682105 /nfs/dbraw/zinc/68/21/05/958682105.db2.gz HKZXKLMGSSUFPD-NSHDSACASA-N -2 3 285.727 1.721 20 10 CDCDHL CC(C)[C@@H](CNC(=O)c1cccc(O)c1[O-])C(=O)[O-] ZINC000126043592 967621765 /nfs/dbraw/zinc/62/17/65/967621765.db2.gz JMRBINSBSDTDRE-SECBINFHSA-N -2 3 267.281 1.184 20 10 CDCDHL CC(=O)c1cc(F)cc(CN2CC[C@@H](C(=O)[O-])C2)c1[O-] ZINC000178903864 342532917 /nfs/dbraw/zinc/53/29/17/342532917.db2.gz UNCFXGWGLYMNED-SECBINFHSA-N -2 3 281.283 1.640 20 10 CDCDHL CCOCCS(=O)(=O)[N-]c1ccc([O-])c(F)c1F ZINC001187280714 920448620 /nfs/dbraw/zinc/44/86/20/920448620.db2.gz YVKOKAJWAVJECS-UHFFFAOYSA-N -2 3 281.280 1.449 20 10 CDCDHL CC[C@](C)(NC(=O)c1cccc(O)c1[O-])C(=O)[O-] ZINC000126063359 958579754 /nfs/dbraw/zinc/57/97/54/958579754.db2.gz LMTMITBGHHDYMY-LBPRGKRZSA-N -2 3 253.254 1.081 20 10 CDCDHL Cn1c(C(=O)[O-])ccc1C(=O)NCc1c([O-])cccc1F ZINC001600903798 1174657508 /nfs/dbraw/zinc/65/75/08/1174657508.db2.gz LZLWYTWATIQTMV-UHFFFAOYSA-N -2 3 292.266 1.498 20 10 CDCDHL Cc1cc(=O)[n-]c(CSc2ncc(C(=O)[O-])s2)n1 ZINC001600285313 1174437776 /nfs/dbraw/zinc/43/77/76/1174437776.db2.gz JFUWSXUPHXZJSE-UHFFFAOYSA-N -2 3 283.334 1.938 20 10 CDCDHL O=C([O-])[C@H]1C[C@@H](O)CN1Cc1cc(Cl)ccc1[O-] ZINC001601773194 1175000385 /nfs/dbraw/zinc/00/03/85/1175000385.db2.gz QENIDQOFZZPPMF-NXEZZACHSA-N -2 3 271.700 1.065 20 10 CDCDHL C[C@H](CC(=O)[O-])C(=O)NCc1c([O-])cccc1F ZINC001604095001 1175756932 /nfs/dbraw/zinc/75/69/32/1175756932.db2.gz LYONFDLMVWTUFA-SSDOTTSWSA-N -2 3 255.245 1.258 20 10 CDCDHL O=C([O-])[C@H]1CCCCN1C(=O)c1cccc(O)c1[O-] ZINC000125984646 949260477 /nfs/dbraw/zinc/26/04/77/949260477.db2.gz RUJXNGNVDJJTKC-SECBINFHSA-N -2 3 265.265 1.177 20 10 CDCDHL O=C([O-])C1(NC(=O)c2cccc(O)c2[O-])CCCC1 ZINC000125994633 958577161 /nfs/dbraw/zinc/57/71/61/958577161.db2.gz WYLSDOADRAXKAJ-UHFFFAOYSA-N -2 3 265.265 1.225 20 10 CDCDHL C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)c2cccc(O)c2[O-])C1 ZINC000398749447 968277631 /nfs/dbraw/zinc/27/76/31/968277631.db2.gz VFLLSCVPWOEGML-BDAKNGLRSA-N -2 3 279.292 1.281 20 10 CDCDHL CCCCC[C@@H](NC(=O)c1cccc(O)c1[O-])C(=O)[O-] ZINC001605259019 1163505671 /nfs/dbraw/zinc/50/56/71/1163505671.db2.gz PZYRPCJOVOJCIO-SNVBAGLBSA-N -2 3 281.308 1.861 20 10 CDCDHL O=C([O-])[C@]12CCC[C@H]1CN(C(=O)c1cccc(O)c1[O-])C2 ZINC001602626497 1175329323 /nfs/dbraw/zinc/32/93/23/1175329323.db2.gz DHHSJAHDGUKFNP-VFZGTOFNSA-N -2 3 291.303 1.425 20 10 CDCDHL C[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])[C@H]1C(=O)[O-] ZINC000235407615 949861851 /nfs/dbraw/zinc/86/18/51/949861851.db2.gz FCBFGYZZCZTYQX-LDYMZIIASA-N -2 3 279.292 1.423 20 10 CDCDHL O=C([O-])C1=CC[C@@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000694986982 976764773 /nfs/dbraw/zinc/76/47/73/976764773.db2.gz RMIYVFAYDTVARU-MRVPVSSYSA-N -2 3 263.249 1.001 20 10 CDCDHL O=C([O-])c1coc(S(=O)(=O)[N-]Cc2ccccc2O)c1 ZINC000710672178 977518749 /nfs/dbraw/zinc/51/87/49/977518749.db2.gz ZIBWJHFIPRCCFY-UHFFFAOYSA-N -2 3 297.288 1.162 20 10 CDCDHL Cc1ccc(C(=O)Nc2n[nH]cc2C(=O)[O-])c([O-])c1O ZINC001605252825 1163504152 /nfs/dbraw/zinc/50/41/52/1163504152.db2.gz JPBSQTJRPGLUBI-UHFFFAOYSA-N -2 3 277.236 1.080 20 10 CDCDHL COCCS(=O)(=O)[N-]c1ccc([O-])c(F)c1F ZINC000830184333 724073042 /nfs/dbraw/zinc/07/30/42/724073042.db2.gz AKMAKTKJQSJQNS-UHFFFAOYSA-N -2 3 267.253 1.059 20 10 CDCDHL CC1(C)C[C@]1(C(=O)[O-])C(=O)NCc1c([O-])cccc1F ZINC000902854192 625540031 /nfs/dbraw/zinc/54/00/31/625540031.db2.gz ZGCVUBHNWGGQBC-CQSZACIVSA-N -2 3 281.283 1.648 20 10 CDCDHL CC(C)C[C@H](NC(=O)c1cccc(O)c1[O-])C(=O)[O-] ZINC000060149155 957571081 /nfs/dbraw/zinc/57/10/81/957571081.db2.gz DANOJWDPYNZKCX-VIFPVBQESA-N -2 3 267.281 1.327 20 10 CDCDHL CN(C(=O)c1cccc(O)c1[O-])C(C)(C)C(=O)[O-] ZINC000126019076 958576601 /nfs/dbraw/zinc/57/66/01/958576601.db2.gz FKJMDEUPQKPDLU-UHFFFAOYSA-N -2 3 253.254 1.033 20 10 CDCDHL CCC(CC)(NC(=O)c1cccc(O)c1[O-])C(=O)[O-] ZINC000126063803 958579460 /nfs/dbraw/zinc/57/94/60/958579460.db2.gz XFGLYKHZLXMGNV-UHFFFAOYSA-N -2 3 267.281 1.471 20 10 CDCDHL C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2cccc(O)c2[O-])C1 ZINC000398749449 968277535 /nfs/dbraw/zinc/27/75/35/968277535.db2.gz VFLLSCVPWOEGML-IUCAKERBSA-N -2 3 279.292 1.281 20 10 CDCDHL O=S(=O)(CCCF)[N-]c1cc(F)c([O-])cc1F ZINC001189916308 921720225 /nfs/dbraw/zinc/72/02/25/921720225.db2.gz XBRSWCFZEFHTBZ-UHFFFAOYSA-N -2 3 269.244 1.772 20 10 CDCDHL O=C(Nc1cncc([O-])c1)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC001147878544 932626954 /nfs/dbraw/zinc/62/69/54/932626954.db2.gz IEAOZCLWUMIRCK-UHFFFAOYSA-N -2 3 296.286 1.519 20 10 CDCDHL O=C([O-])c1ccccc1CNC(=O)c1cccc(O)c1[O-] ZINC001602470594 971203503 /nfs/dbraw/zinc/20/35/03/971203503.db2.gz AQIFHNWXHJISRP-UHFFFAOYSA-N -2 3 287.271 1.726 20 10 CDCDHL O=C([O-])CCCC(=O)NCc1c([O-])cccc1F ZINC001339193304 962237652 /nfs/dbraw/zinc/23/76/52/962237652.db2.gz ISFHUEYIOQDMOD-UHFFFAOYSA-N -2 3 255.245 1.402 20 10 CDCDHL COC(=O)c1ccc([O-])c(C=C2SC(=S)[N-]C2=O)c1 ZINC000726786760 574506024 /nfs/dbraw/zinc/50/60/24/574506024.db2.gz ATBHNXGNSVBCQK-WEVVVXLNSA-N -2 3 295.341 1.668 20 10 CDCDHL O=C([O-])CN(Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000238124835 361534729 /nfs/dbraw/zinc/53/47/29/361534729.db2.gz VTRRQWNFKAPJEH-GFCCVEGCSA-N -2 3 265.309 1.458 20 10 CDCDHL COC(=O)c1ccc([O-])c(C=C2SC(=S)[N-]C2=O)c1 ZINC000726786754 574506007 /nfs/dbraw/zinc/50/60/07/574506007.db2.gz ATBHNXGNSVBCQK-UITAMQMPSA-N -2 3 295.341 1.668 20 10 CDCDHL CC(C)(C)[C@@H](C(=O)[O-])C(=O)NCc1c([O-])cccc1F ZINC000902853209 625484746 /nfs/dbraw/zinc/48/47/46/625484746.db2.gz JZHNBPCBMRHRFO-LLVKDONJSA-N -2 3 283.299 1.894 20 10 CDCDHL O=C([O-])[C@H]1C[C@H](O)CN1Cc1cc(Cl)ccc1[O-] ZINC001601773198 1175000259 /nfs/dbraw/zinc/00/02/59/1175000259.db2.gz QENIDQOFZZPPMF-VHSXEESVSA-N -2 3 271.700 1.065 20 10 CDCDHL Cn1cc(S(=O)(=O)[N-]c2cc(F)c([O-])cc2F)cn1 ZINC001259826619 945653360 /nfs/dbraw/zinc/65/33/60/945653360.db2.gz DCQJUIRVDQSEIA-UHFFFAOYSA-N -2 3 289.263 1.205 20 10 CDCDHL C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2cccc(O)c2[O-])C1 ZINC000398749448 968276967 /nfs/dbraw/zinc/27/69/67/968276967.db2.gz VFLLSCVPWOEGML-DTWKUNHWSA-N -2 3 279.292 1.281 20 10 CDCDHL CN(CC(=O)[O-])Cc1c([O-])cccc1Br ZINC000706674377 977358392 /nfs/dbraw/zinc/35/83/92/977358392.db2.gz RLOFTRMFMMUAML-UHFFFAOYSA-N -2 3 274.114 1.671 20 10 CDCDHL CC1(C(=O)[O-])CN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000708090054 977414956 /nfs/dbraw/zinc/41/49/56/977414956.db2.gz NDOQWWYHZCXNKS-UHFFFAOYSA-N -2 3 257.236 1.577 20 10 CDCDHL CC(=O)c1cc(F)cc(CN2CCO[C@@H](C(=O)[O-])C2)c1[O-] ZINC000769756892 575381280 /nfs/dbraw/zinc/38/12/80/575381280.db2.gz ZXXSICHJZKDNOY-GFCCVEGCSA-N -2 3 297.282 1.019 20 10 CDCDHL Cc1cc([O-])c(CN2CCO[C@H](C(=O)[O-])C2)c(Cl)c1 ZINC001594326536 958178078 /nfs/dbraw/zinc/17/80/78/958178078.db2.gz FQXOYZITSOHRPY-LBPRGKRZSA-N -2 3 285.727 1.639 20 10 CDCDHL CC[C@@](C)(NC(=O)c1cccc(O)c1[O-])C(=O)[O-] ZINC000126063551 958579660 /nfs/dbraw/zinc/57/96/60/958579660.db2.gz LMTMITBGHHDYMY-GFCCVEGCSA-N -2 3 253.254 1.081 20 10 CDCDHL O=C([N-]CCCOC(=O)c1cc([O-])cs1)C(F)(F)F ZINC000774949002 575254831 /nfs/dbraw/zinc/25/48/31/575254831.db2.gz OUJXLZBNKZXLFR-UHFFFAOYSA-N -2 3 297.254 1.679 20 10 CDCDHL O=C([O-])c1ccc(C(=O)NCc2c([O-])cccc2F)nc1 ZINC001608874546 1164668928 /nfs/dbraw/zinc/66/89/28/1164668928.db2.gz GFDGDGFSJHWYAP-UHFFFAOYSA-N -2 3 290.250 1.555 20 10 CDCDHL O=C([O-])C[C@H]1CN(Cc2cccc(F)c2[O-])CCO1 ZINC001601961555 1175087662 /nfs/dbraw/zinc/08/76/62/1175087662.db2.gz FVAJALFWNNYCBY-JTQLQIEISA-N -2 3 269.272 1.207 20 10 CDCDHL O=C([O-])c1cnc(NCc2c([O-])cccc2F)nc1 ZINC001602533252 1175276665 /nfs/dbraw/zinc/27/66/65/1175276665.db2.gz CXIOBAAIFMWUMP-UHFFFAOYSA-N -2 3 263.228 1.632 20 10 CDCDHL C[C@@](NC(=O)c1cccc(O)c1[O-])(C(=O)[O-])C1CC1 ZINC000125995045 958576750 /nfs/dbraw/zinc/57/67/50/958576750.db2.gz CYSCCAKMKJIOGI-ZDUSSCGKSA-N -2 3 265.265 1.081 20 10 CDCDHL O=C([O-])CN(Cc1cc[nH]n1)Cc1cc(Cl)ccc1[O-] ZINC001602060352 1175122125 /nfs/dbraw/zinc/12/21/25/1175122125.db2.gz OZCNFPOGPBTCDM-UHFFFAOYSA-N -2 3 295.726 1.856 20 10 CDCDHL O=C([O-])[C@H]1C[C@H](O)CN1Cc1ccc(Cl)cc1[O-] ZINC001601773381 1175001515 /nfs/dbraw/zinc/00/15/15/1175001515.db2.gz SAHQDBSOGZYZLG-VHSXEESVSA-N -2 3 271.700 1.065 20 10 CDCDHL Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccc([O-])c(F)c1 ZINC000070330050 1171656073 /nfs/dbraw/zinc/65/60/73/1171656073.db2.gz XRNPQYRONXYXLF-UHFFFAOYSA-N -2 3 299.327 1.682 20 10 CDCDHL O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)c3cccc(O)c3[O-])[C@@H]2C1 ZINC001601576309 1174905405 /nfs/dbraw/zinc/90/54/05/1174905405.db2.gz RULMRBISXJPZEF-OYBPUVFXSA-N -2 3 291.303 1.327 20 10 CDCDHL Cc1cc([O-])c(CN2C[C@H](O)C[C@@H]2C(=O)[O-])cc1Cl ZINC001600285896 1174439399 /nfs/dbraw/zinc/43/93/99/1174439399.db2.gz IEBOEZGJZHVLGZ-MWLCHTKSSA-N -2 3 285.727 1.374 20 10 CDCDHL O=S(=O)([N-]c1cc(F)c([O-])cc1F)c1ccncc1 ZINC001190896348 922281707 /nfs/dbraw/zinc/28/17/07/922281707.db2.gz LBQWIAILABZOGL-UHFFFAOYSA-N -2 3 286.259 1.866 20 10 CDCDHL CC[C@](C)(CC(=O)[O-])NC(=O)c1cccc(O)c1[O-] ZINC001604902013 1163374223 /nfs/dbraw/zinc/37/42/23/1163374223.db2.gz NWHAASDTLMHYCO-CYBMUJFWSA-N -2 3 267.281 1.471 20 10 CDCDHL O=C([O-])[C@@]1(O)CCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC001601722309 1167802497 /nfs/dbraw/zinc/80/24/97/1167802497.db2.gz HNPZDCLMRHMUPT-GFCCVEGCSA-N -2 3 289.690 1.206 20 10 CDCDHL Nc1ccc(N)c(S(=O)(=O)[N-]c2ccc([O-])c(F)c2)c1 ZINC001174739241 913312840 /nfs/dbraw/zinc/31/28/40/913312840.db2.gz SAFYUZFUBLSTFO-UHFFFAOYSA-N -2 3 297.311 1.497 20 10 CDCDHL O=C([O-])C1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000125982330 958575396 /nfs/dbraw/zinc/57/53/96/958575396.db2.gz PFININFYHUKQJI-UHFFFAOYSA-N -2 3 265.265 1.035 20 10 CDCDHL O=C([O-])C1(NC(=O)c2cccc(O)c2[O-])CCSCC1 ZINC001608405932 1164508586 /nfs/dbraw/zinc/50/85/86/1164508586.db2.gz AYGADUOLBZUJER-UHFFFAOYSA-N -2 3 297.332 1.178 20 10 CDCDHL O=S(=O)(Nc1c(F)cc([O-])cc1F)c1ncc[n-]1 ZINC001190730816 922161653 /nfs/dbraw/zinc/16/16/53/922161653.db2.gz KFOHECQJKCXJBL-UHFFFAOYSA-N -2 3 275.236 1.194 20 10 CDCDHL Cn1ccnc1S(=O)(=O)[N-]c1ccc([O-])cc1F ZINC001193598442 923829386 /nfs/dbraw/zinc/82/93/86/923829386.db2.gz QOFZMDNXEWSQKG-UHFFFAOYSA-N -2 3 271.273 1.066 20 10 CDCDHL CN(C(=O)c1cccc(O)c1[O-])C1(C(=O)[O-])CCCCC1 ZINC000315393332 963894449 /nfs/dbraw/zinc/89/44/49/963894449.db2.gz SRSNLQGJYYZYQO-UHFFFAOYSA-N -2 3 293.319 1.957 20 10 CDCDHL CC(C)[C@H](CNC(=O)c1cccc(O)c1[O-])C(=O)[O-] ZINC000126043795 967621265 /nfs/dbraw/zinc/62/12/65/967621265.db2.gz JMRBINSBSDTDRE-VIFPVBQESA-N -2 3 267.281 1.184 20 10 CDCDHL O=C([O-])c1ccc2c(c1)CN(C(=O)c1cccc(O)c1[O-])C2 ZINC000388255641 972162816 /nfs/dbraw/zinc/16/28/16/972162816.db2.gz AFUDSQZQVQKIIU-UHFFFAOYSA-N -2 3 299.282 1.952 20 10 CDCDHL CC(C)(C)[C@@H](NC(=O)c1cccc(O)c1[O-])C(=O)[O-] ZINC000125996873 958577371 /nfs/dbraw/zinc/57/73/71/958577371.db2.gz SGXTYVQOHCKEHZ-JTQLQIEISA-N -2 3 267.281 1.327 20 10 CDCDHL O=C([O-])[C@@H]1CC12CCN(C(=O)c1cccc(O)c1[O-])CC2 ZINC000405395820 973866540 /nfs/dbraw/zinc/86/65/40/973866540.db2.gz NENAPIQIRRWGOO-JTQLQIEISA-N -2 3 291.303 1.425 20 10 CDCDHL O=C([O-])[C@@H]1CN(Cc2cc(Cl)ccc2[O-])CCO1 ZINC000086804759 598123754 /nfs/dbraw/zinc/12/37/54/598123754.db2.gz XNGNPHZJWHRHRN-NSHDSACASA-N -2 3 271.700 1.331 20 10 CDCDHL CO[C@@H](C)CS(=O)(=O)[N-]c1ccc([O-])c(F)c1F ZINC000830185347 936448941 /nfs/dbraw/zinc/44/89/41/936448941.db2.gz ZNWCSPOVCCLEFR-LURJTMIESA-N -2 3 281.280 1.447 20 10 CDCDHL O=C(Nc1cc(=O)[n-]c(Cl)n1)c1cccc(O)c1[O-] ZINC001148212150 932669012 /nfs/dbraw/zinc/66/90/12/932669012.db2.gz ONNCZSMYNTWTAD-UHFFFAOYSA-N -2 3 281.655 1.499 20 10 CDCDHL O=C([O-])[C@@H]1CN(Cc2c([O-])ccc3ccncc32)CCO1 ZINC000738548990 576087352 /nfs/dbraw/zinc/08/73/52/576087352.db2.gz NHLJOXYXCJXEGN-AWEZNQCLSA-N -2 3 288.303 1.226 20 10 CDCDHL CC(C)OC[C@@H](C(=O)[O-])N(C)Cc1cccc(F)c1[O-] ZINC000833505746 605481523 /nfs/dbraw/zinc/48/15/23/605481523.db2.gz NAOBPQBXHBLITF-LBPRGKRZSA-N -2 3 285.315 1.841 20 10 CDCDHL O=C([O-])c1ccoc1S(=O)(=O)[N-]Cc1ccccc1O ZINC001608956156 1164696750 /nfs/dbraw/zinc/69/67/50/1164696750.db2.gz HLJDHQZWJMABKW-UHFFFAOYSA-N -2 3 297.288 1.162 20 10 CDCDHL C[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])[C@@H]1C(=O)[O-] ZINC000235407579 949861318 /nfs/dbraw/zinc/86/13/18/949861318.db2.gz FCBFGYZZCZTYQX-KCJUWKMLSA-N -2 3 279.292 1.423 20 10 CDCDHL O=C([O-])[C@@H]1C[C@@H]1CNC(=O)NCc1c([O-])cccc1F ZINC001601530675 1174894584 /nfs/dbraw/zinc/89/45/84/1174894584.db2.gz NTAUCQGJAXFCHD-HTQZYQBOSA-N -2 3 282.271 1.051 20 10 CDCDHL O=S(=O)(C[C@H]1CCCCO1)[N-]c1ccc([O-])cc1F ZINC000758169079 577076700 /nfs/dbraw/zinc/07/67/00/577076700.db2.gz MIRIPKACCUDSGG-SNVBAGLBSA-N -2 3 289.328 1.842 20 10 CDCDHL Cc1c(NCc2cc(F)c(F)cc2[O-])cnn1CC(=O)[O-] ZINC001600052184 1174348727 /nfs/dbraw/zinc/34/87/27/1174348727.db2.gz DKWFUPJKPISQMJ-UHFFFAOYSA-N -2 3 297.261 1.872 20 10 CDCDHL CC(C)C[C@@H](NC(=O)c1cccc(O)c1[O-])C(=O)[O-] ZINC000060149157 967541282 /nfs/dbraw/zinc/54/12/82/967541282.db2.gz DANOJWDPYNZKCX-SECBINFHSA-N -2 3 267.281 1.327 20 10 CDCDHL O=S(=O)([N-]c1ccc([O-])c(F)c1)c1ccncc1 ZINC001190888036 922276877 /nfs/dbraw/zinc/27/68/77/922276877.db2.gz QMFBMDLTIZSVJT-UHFFFAOYSA-N -2 3 268.269 1.727 20 10 CDCDHL O=S(=O)([N-]c1cc(F)c([O-])cc1F)C1CCOCC1 ZINC001259915722 945700002 /nfs/dbraw/zinc/70/00/02/945700002.db2.gz ULIDLWDZXVRVCE-UHFFFAOYSA-N -2 3 293.291 1.591 20 10 CDCDHL Cc1ncc(NC(=O)c2cccc(O)c2[O-])cc1C(=O)[O-] ZINC001600743295 1174587623 /nfs/dbraw/zinc/58/76/23/1174587623.db2.gz XWXQXQMZVNNCRO-UHFFFAOYSA-N -2 3 288.259 1.752 20 10 CDCDHL C[C@H]1CN(C(=O)c2cccc(O)c2[O-])CC[C@H]1C(=O)[O-] ZINC000312925693 963605133 /nfs/dbraw/zinc/60/51/33/963605133.db2.gz XDCSRGVBBJFUKG-DTWKUNHWSA-N -2 3 279.292 1.281 20 10 CDCDHL O=C([O-])CC1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000738563149 574705330 /nfs/dbraw/zinc/70/53/30/574705330.db2.gz LRSQZXYBVKBXMV-UHFFFAOYSA-N -2 3 269.322 1.781 20 10 CDCDHL COc1cccc([O-])c1CNCc1ccc(C(=O)[O-])o1 ZINC000738105916 576039162 /nfs/dbraw/zinc/03/91/62/576039162.db2.gz GFRFMLUHWMIHFY-UHFFFAOYSA-N -2 3 277.276 1.982 20 10 CDCDHL O=S(=O)([N-]c1ccc([O-])cc1F)c1nccs1 ZINC001187892152 920749898 /nfs/dbraw/zinc/74/98/98/920749898.db2.gz VLRDGHBSGXNOTL-UHFFFAOYSA-N -2 3 274.298 1.789 20 10 CDCDHL O=C([O-])C[C@@H]1COCCN1Cc1c([O-])cccc1Cl ZINC000128842202 958683871 /nfs/dbraw/zinc/68/38/71/958683871.db2.gz DYMJCVMGHWWDBF-SECBINFHSA-N -2 3 285.727 1.721 20 10 CDCDHL CC(C)(C)C[C@@H](NC(=O)c1cccc(O)c1[O-])C(=O)[O-] ZINC000401369085 973359522 /nfs/dbraw/zinc/35/95/22/973359522.db2.gz VEWRHLNUWAVQMC-SECBINFHSA-N -2 3 281.308 1.717 20 10 CDCDHL CCOCCN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000737167717 575835727 /nfs/dbraw/zinc/83/57/27/575835727.db2.gz PSHPESCXAWFXDC-UHFFFAOYSA-N -2 3 287.743 1.969 20 10 CDCDHL Cn1ccc([C@H](NCc2cc(Cl)ccc2[O-])C(=O)[O-])n1 ZINC001608127090 1164418021 /nfs/dbraw/zinc/41/80/21/1164418021.db2.gz SMRLHNUILMOWFP-LBPRGKRZSA-N -2 3 295.726 1.695 20 10 CDCDHL CON(C(=O)c1ccc(C)c(O)c1[O-])[C@H](C)CC(=O)[O-] ZINC001599311834 997428731 /nfs/dbraw/zinc/42/87/31/997428731.db2.gz OVRLTPFSKQKDMK-MRVPVSSYSA-N -2 3 283.280 1.273 20 10 CDCDHL Cc1oncc1S(=O)(=O)[N-]c1ccc([O-])cc1F ZINC001187368394 920500895 /nfs/dbraw/zinc/50/08/95/920500895.db2.gz FOEQEHMEZSNIBT-UHFFFAOYSA-N -2 3 272.257 1.629 20 10 CDCDHL Cn1[n-]nnc1=Nc1cc(C(F)(F)F)ccc1[O-] ZINC001209978036 940656895 /nfs/dbraw/zinc/65/68/95/940656895.db2.gz UMQZDIDNMBTZCO-UHFFFAOYSA-N -2 3 259.191 1.100 20 10 CDCDHL O=C([O-])CCCCNC(=O)c1cccc(O)c1[O-] ZINC000126034652 949262772 /nfs/dbraw/zinc/26/27/72/949262772.db2.gz BTLWMSHWPIQLER-UHFFFAOYSA-N -2 3 253.254 1.083 20 10 CDCDHL CC(C)[C@@H](CNC(=O)NCc1c([O-])cccc1F)C(=O)[O-] ZINC001343118632 963910064 /nfs/dbraw/zinc/91/00/64/963910064.db2.gz RBCRALCWURXOCY-SECBINFHSA-N -2 3 298.314 1.687 20 10 CDCDHL CON(C(=O)c1ccc(C)c(O)c1[O-])[C@@H](C)CC(=O)[O-] ZINC001599311836 997428703 /nfs/dbraw/zinc/42/87/03/997428703.db2.gz OVRLTPFSKQKDMK-QMMMGPOBSA-N -2 3 283.280 1.273 20 10 CDCDHL O=C([O-])C[C@H]1COCCN1Cc1c([O-])cccc1Cl ZINC000128841966 958685067 /nfs/dbraw/zinc/68/50/67/958685067.db2.gz DYMJCVMGHWWDBF-VIFPVBQESA-N -2 3 285.727 1.721 20 10 CDCDHL CC(C)(CCNC(=O)NCc1c([O-])cccc1F)C(=O)[O-] ZINC001341367770 963385556 /nfs/dbraw/zinc/38/55/56/963385556.db2.gz HASMSVQYZNRYTR-UHFFFAOYSA-N -2 3 298.314 1.831 20 10 CDCDHL O=C([O-])[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccccn1 ZINC001601402805 1174856780 /nfs/dbraw/zinc/85/67/80/1174856780.db2.gz XMKPAQMZDBRKEK-NSHDSACASA-N -2 3 288.259 1.049 20 10 CDCDHL Cc1cc([O-])c(CN2CCOC[C@H]2C(=O)[O-])cc1Cl ZINC001607699304 1164273707 /nfs/dbraw/zinc/27/37/07/1164273707.db2.gz JLYGMXNZQYPNJZ-NSHDSACASA-N -2 3 285.727 1.639 20 10 CDCDHL O=C([O-])C(=O)CCCOC(=O)c1cc([O-])cs1 ZINC001601636094 1174920316 /nfs/dbraw/zinc/92/03/16/1174920316.db2.gz DHNFUEWCNCAYSV-UHFFFAOYSA-N -2 3 258.251 1.044 20 10 CDCDHL O=C([O-])[C@@H]1C[C@H](O)CN1Cc1ccc(Cl)cc1[O-] ZINC001601773379 1175001650 /nfs/dbraw/zinc/00/16/50/1175001650.db2.gz SAHQDBSOGZYZLG-UWVGGRQHSA-N -2 3 271.700 1.065 20 10 CDCDHL O=C([O-])[C@@H]1C[C@@H](O)CN1Cc1ccc(Cl)cc1[O-] ZINC001601773383 1175001869 /nfs/dbraw/zinc/00/18/69/1175001869.db2.gz SAHQDBSOGZYZLG-ZJUUUORDSA-N -2 3 271.700 1.065 20 10 CDCDHL CC(=O)CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC001603002227 1175477212 /nfs/dbraw/zinc/47/72/12/1175477212.db2.gz XURASLOUWJWUOB-UHFFFAOYSA-N -2 3 271.700 1.521 20 10 CDCDHL O=C([O-])Cn1ccc(NCc2c([O-])cccc2Cl)n1 ZINC001595152946 952148724 /nfs/dbraw/zinc/14/87/24/952148724.db2.gz MDYFOGOBFSZCOC-UHFFFAOYSA-N -2 3 281.699 1.939 20 10 CDCDHL COC[C@]1(C(=O)[O-])CCCN1Cc1cccc(F)c1[O-] ZINC001599192402 997146075 /nfs/dbraw/zinc/14/60/75/997146075.db2.gz CFHOMZKSTZWSLN-AWEZNQCLSA-N -2 3 283.299 1.597 20 10 CDCDHL O=C([O-])CCc1nc(COC(=O)c2cc([O-])cs2)no1 ZINC000739769217 576291439 /nfs/dbraw/zinc/29/14/39/576291439.db2.gz NVZOSCMAVIXEAQ-UHFFFAOYSA-N -2 3 298.276 1.211 20 10 CDCDHL O=C([O-])Cc1occc1C(=O)NCc1c([O-])cccc1F ZINC001602155799 1175145250 /nfs/dbraw/zinc/14/52/50/1175145250.db2.gz ZLOXGSKILBXYOO-UHFFFAOYSA-N -2 3 293.250 1.681 20 10 CDCDHL N#Cc1ccc([O-])c(NC(=O)c2cccc(O)c2[O-])c1 ZINC000187161777 710232358 /nfs/dbraw/zinc/23/23/58/710232358.db2.gz OLHWIDOKMAZLQZ-UHFFFAOYSA-N -2 3 270.244 1.927 20 10 CDCDHL CCOCCS(=O)(=O)[N-]c1cc(F)c([O-])cc1F ZINC001187287667 920454782 /nfs/dbraw/zinc/45/47/82/920454782.db2.gz OEEYEIRRERHYHO-UHFFFAOYSA-N -2 3 281.280 1.449 20 10 CDCDHL O=C([O-])[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000125983964 958575098 /nfs/dbraw/zinc/57/50/98/958575098.db2.gz PEHQJZGSZIRQJL-QMMMGPOBSA-N -2 3 265.265 1.035 20 10 CDCDHL CC(=O)c1cc([O-])ccc1[N-]S(=O)(=O)c1c[nH]nc1C ZINC000766047982 576073957 /nfs/dbraw/zinc/07/39/57/576073957.db2.gz OSJYMBQSFQQVMX-UHFFFAOYSA-N -2 3 295.320 1.427 20 10 CDCDHL O=S(=O)([N-]c1ccc([O-])cc1F)c1ccco1 ZINC000783532206 937274652 /nfs/dbraw/zinc/27/46/52/937274652.db2.gz LQUWRSRMODEULS-UHFFFAOYSA-N -2 3 257.242 1.925 20 10 CDCDHL O=C([O-])[C@@H]1CC[C@@H]1C(=O)NCc1c([O-])cccc1F ZINC001594767962 953539455 /nfs/dbraw/zinc/53/94/55/953539455.db2.gz RKWRACKVXIIFOJ-JGVFFNPUSA-N -2 3 267.256 1.258 20 10 CDCDHL O=C([O-])N1CCC[C@H](NC(=O)c2cc([O-])cs2)C1 ZINC000739388371 576223212 /nfs/dbraw/zinc/22/32/12/576223212.db2.gz QSSRPXCDVZBCNI-ZETCQYMHSA-N -2 3 270.310 1.326 20 10 CDCDHL Cn1ccc(S(=O)(=O)[N-]c2ccc([O-])cc2F)n1 ZINC000758169058 577076229 /nfs/dbraw/zinc/07/62/29/577076229.db2.gz LPAKBUXQYCCFIS-UHFFFAOYSA-N -2 3 271.273 1.066 20 10 CDCDHL O=C([O-])C1=CC[C@H](NC(=O)NCc2c([O-])cccc2F)C1 ZINC001608464532 1164522737 /nfs/dbraw/zinc/52/27/37/1164522737.db2.gz XCYNTFWGVLCGRT-VIFPVBQESA-N -2 3 294.282 1.504 20 10 CDCDHL O=C([O-])c1cc(C(=O)NCc2c([O-])cccc2F)no1 ZINC001601530834 1174893751 /nfs/dbraw/zinc/89/37/51/1174893751.db2.gz XUXTVHSSOJTTBG-UHFFFAOYSA-N -2 3 280.211 1.148 20 10 CDCDHL O=C([O-])[C@@H]1CN(Cc2c([O-])cccc2Cl)CCO1 ZINC000128828054 598124856 /nfs/dbraw/zinc/12/48/56/598124856.db2.gz TZVMQOOBCZEODI-NSHDSACASA-N -2 3 271.700 1.331 20 10 CDCDHL